USER MOD reduce.3.24.130724 H: found=0, std=0, add=713, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 700 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 95 TYR OH : rot -48:sc= 1.01 USER MOD Set 1.2: A 99 GLN : amide:sc= 1.02 X(o=2,f=2.2) USER MOD Set 2.1: A 50 MET CE :methyl -162:sc= 0 (180deg=-0.0371) USER MOD Set 2.2: A 76 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 45 ASN : amide:sc= 0.101 K(o=0.2,f=-0.53) USER MOD Set 3.2: A 51 LYS NZ :NH3+ -174:sc= 0.101 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 CYS SG : rot 180:sc= 0.00387 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= 1.2 K(o=1.2,f=-4.1!) USER MOD Single : A 19 LYS NZ :NH3+ 151:sc= 0 (180deg=-0.661) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 31 ASN : amide:sc= 0.405 K(o=0.41,f=-0.26) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 180:sc= 0.232 USER MOD Single : A 47 SER OG : rot -140:sc= 1.06 USER MOD Single : A 53 HIS : no HD1:sc= -0.0139 X(o=-0.014,f=-0.38) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= 0.296 X(o=0.3,f=0) USER MOD Single : A 67 THR OG1 : rot 55:sc= 1.12 USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=-0.086) USER MOD Single : A 70 LYS NZ :NH3+ -144:sc= 1.11 (180deg=0.326) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 164:sc= 0.998 (180deg=0.797) USER MOD Single : A 78 MET CE :methyl -179:sc= 0 (180deg=-0.000426) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0.595 (180deg=0.595) USER MOD Single : A 91 ASN : amide:sc= -0.312 X(o=-0.31,f=-0.54) USER MOD Single : A 100 GLN : amide:sc= 0.0112 K(o=0.011,f=-1.6!) USER MOD ----------------------------------------------------------------- ATOM 29 N ASP A 3 4.484 -0.130 -3.283 1.00 0.00 N ATOM 30 CA ASP A 3 4.438 -0.637 -4.679 1.00 0.00 C ATOM 31 C ASP A 3 5.656 -0.108 -5.532 1.00 0.00 C ATOM 32 O ASP A 3 5.736 1.109 -5.744 1.00 0.00 O ATOM 33 CB ASP A 3 3.060 -0.217 -5.257 1.00 0.00 C ATOM 34 CG ASP A 3 2.761 -0.766 -6.652 1.00 0.00 C ATOM 35 OD1 ASP A 3 3.168 -0.250 -7.689 1.00 0.00 O ATOM 36 OD2 ASP A 3 2.007 -1.898 -6.615 1.00 0.00 O ATOM 0 HA ASP A 3 4.536 -1.722 -4.710 1.00 0.00 H new ATOM 0 HB2 ASP A 3 2.278 -0.550 -4.575 1.00 0.00 H new ATOM 0 HB3 ASP A 3 3.011 0.871 -5.291 1.00 0.00 H new ATOM 41 N PRO A 4 6.579 -0.950 -6.091 1.00 0.00 N ATOM 42 CA PRO A 4 7.717 -0.457 -6.922 1.00 0.00 C ATOM 43 C PRO A 4 7.400 0.150 -8.331 1.00 0.00 C ATOM 44 O PRO A 4 8.091 1.082 -8.750 1.00 0.00 O ATOM 45 CB PRO A 4 8.654 -1.680 -6.955 1.00 0.00 C ATOM 46 CG PRO A 4 7.768 -2.903 -6.718 1.00 0.00 C ATOM 47 CD PRO A 4 6.616 -2.406 -5.848 1.00 0.00 C ATOM 0 HA PRO A 4 8.151 0.439 -6.479 1.00 0.00 H new ATOM 0 HB2 PRO A 4 9.167 -1.751 -7.914 1.00 0.00 H new ATOM 0 HB3 PRO A 4 9.423 -1.602 -6.187 1.00 0.00 H new ATOM 0 HG2 PRO A 4 7.401 -3.311 -7.660 1.00 0.00 H new ATOM 0 HG3 PRO A 4 8.322 -3.699 -6.220 1.00 0.00 H new ATOM 0 HD2 PRO A 4 5.674 -2.880 -6.126 1.00 0.00 H new ATOM 0 HD3 PRO A 4 6.787 -2.630 -4.795 1.00 0.00 H new ATOM 55 N ALA A 5 6.357 -0.318 -9.044 1.00 0.00 N ATOM 56 CA ALA A 5 5.851 0.353 -10.276 1.00 0.00 C ATOM 57 C ALA A 5 5.315 1.814 -10.076 1.00 0.00 C ATOM 58 O ALA A 5 5.757 2.725 -10.783 1.00 0.00 O ATOM 59 CB ALA A 5 4.812 -0.590 -10.914 1.00 0.00 C ATOM 0 H ALA A 5 5.841 -1.161 -8.793 1.00 0.00 H new ATOM 0 HA ALA A 5 6.694 0.516 -10.948 1.00 0.00 H new ATOM 0 HB1 ALA A 5 4.416 -0.134 -11.822 1.00 0.00 H new ATOM 0 HB2 ALA A 5 5.286 -1.540 -11.162 1.00 0.00 H new ATOM 0 HB3 ALA A 5 3.998 -0.764 -10.210 1.00 0.00 H new ATOM 65 N ALA A 6 4.446 2.059 -9.073 1.00 0.00 N ATOM 66 CA ALA A 6 4.149 3.433 -8.582 1.00 0.00 C ATOM 67 C ALA A 6 5.357 4.269 -8.028 1.00 0.00 C ATOM 68 O ALA A 6 5.405 5.482 -8.243 1.00 0.00 O ATOM 69 CB ALA A 6 3.020 3.301 -7.546 1.00 0.00 C ATOM 0 H ALA A 6 3.934 1.326 -8.583 1.00 0.00 H new ATOM 0 HA ALA A 6 3.857 4.025 -9.449 1.00 0.00 H new ATOM 0 HB1 ALA A 6 2.767 4.287 -7.156 1.00 0.00 H new ATOM 0 HB2 ALA A 6 2.142 2.861 -8.019 1.00 0.00 H new ATOM 0 HB3 ALA A 6 3.350 2.661 -6.728 1.00 0.00 H new ATOM 75 N GLY A 7 6.362 3.648 -7.383 1.00 0.00 N ATOM 76 CA GLY A 7 7.666 4.313 -7.102 1.00 0.00 C ATOM 77 C GLY A 7 8.495 4.880 -8.284 1.00 0.00 C ATOM 78 O GLY A 7 9.150 5.908 -8.113 1.00 0.00 O ATOM 0 H GLY A 7 6.305 2.688 -7.044 1.00 0.00 H new ATOM 0 HA2 GLY A 7 7.474 5.135 -6.412 1.00 0.00 H new ATOM 0 HA3 GLY A 7 8.294 3.595 -6.575 1.00 0.00 H new ATOM 82 N GLU A 8 8.449 4.251 -9.472 1.00 0.00 N ATOM 83 CA GLU A 8 9.020 4.834 -10.721 1.00 0.00 C ATOM 84 C GLU A 8 8.319 6.140 -11.243 1.00 0.00 C ATOM 85 O GLU A 8 9.031 7.071 -11.630 1.00 0.00 O ATOM 86 CB GLU A 8 9.111 3.703 -11.780 1.00 0.00 C ATOM 87 CG GLU A 8 10.011 4.044 -12.996 1.00 0.00 C ATOM 88 CD GLU A 8 10.206 2.876 -13.961 1.00 0.00 C ATOM 89 OE1 GLU A 8 9.365 2.548 -14.794 1.00 0.00 O ATOM 90 OE2 GLU A 8 11.412 2.251 -13.796 1.00 0.00 O ATOM 0 H GLU A 8 8.022 3.334 -9.604 1.00 0.00 H new ATOM 0 HA GLU A 8 10.018 5.208 -10.491 1.00 0.00 H new ATOM 0 HB2 GLU A 8 9.493 2.801 -11.301 1.00 0.00 H new ATOM 0 HB3 GLU A 8 8.107 3.473 -12.138 1.00 0.00 H new ATOM 0 HG2 GLU A 8 9.573 4.882 -13.538 1.00 0.00 H new ATOM 0 HG3 GLU A 8 10.986 4.372 -12.635 1.00 0.00 H new ATOM 97 N LYS A 9 6.971 6.261 -11.211 1.00 0.00 N ATOM 98 CA LYS A 9 6.286 7.586 -11.369 1.00 0.00 C ATOM 99 C LYS A 9 6.612 8.661 -10.274 1.00 0.00 C ATOM 100 O LYS A 9 6.850 9.822 -10.618 1.00 0.00 O ATOM 101 CB LYS A 9 4.763 7.436 -11.637 1.00 0.00 C ATOM 102 CG LYS A 9 3.862 6.876 -10.521 1.00 0.00 C ATOM 103 CD LYS A 9 2.356 6.957 -10.851 1.00 0.00 C ATOM 104 CE LYS A 9 1.427 6.302 -9.811 1.00 0.00 C ATOM 105 NZ LYS A 9 1.424 7.023 -8.519 1.00 0.00 N ATOM 0 H LYS A 9 6.335 5.475 -11.080 1.00 0.00 H new ATOM 0 HA LYS A 9 6.736 8.006 -12.268 1.00 0.00 H new ATOM 0 HB2 LYS A 9 4.378 8.419 -11.909 1.00 0.00 H new ATOM 0 HB3 LYS A 9 4.644 6.794 -12.510 1.00 0.00 H new ATOM 0 HG2 LYS A 9 4.130 5.836 -10.335 1.00 0.00 H new ATOM 0 HG3 LYS A 9 4.054 7.425 -9.599 1.00 0.00 H new ATOM 0 HD2 LYS A 9 2.078 8.006 -10.955 1.00 0.00 H new ATOM 0 HD3 LYS A 9 2.185 6.484 -11.818 1.00 0.00 H new ATOM 0 HE2 LYS A 9 0.412 6.268 -10.206 1.00 0.00 H new ATOM 0 HE3 LYS A 9 1.740 5.271 -9.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 0.784 6.542 -7.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 2.387 7.034 -8.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 1.099 8.000 -8.667 1.00 0.00 H new ATOM 118 N VAL A 10 6.695 8.279 -8.983 1.00 0.00 N ATOM 119 CA VAL A 10 7.229 9.163 -7.895 1.00 0.00 C ATOM 120 C VAL A 10 8.728 9.604 -8.103 1.00 0.00 C ATOM 121 O VAL A 10 9.045 10.770 -7.845 1.00 0.00 O ATOM 122 CB VAL A 10 6.950 8.529 -6.486 1.00 0.00 C ATOM 123 CG1 VAL A 10 7.428 9.419 -5.314 1.00 0.00 C ATOM 124 CG2 VAL A 10 5.455 8.221 -6.219 1.00 0.00 C ATOM 0 H VAL A 10 6.400 7.360 -8.654 1.00 0.00 H new ATOM 0 HA VAL A 10 6.679 10.103 -7.948 1.00 0.00 H new ATOM 0 HB VAL A 10 7.519 7.600 -6.524 1.00 0.00 H new ATOM 0 HG11 VAL A 10 7.206 8.925 -4.368 1.00 0.00 H new ATOM 0 HG12 VAL A 10 8.503 9.582 -5.395 1.00 0.00 H new ATOM 0 HG13 VAL A 10 6.912 10.378 -5.352 1.00 0.00 H new ATOM 0 HG21 VAL A 10 5.345 7.785 -5.226 1.00 0.00 H new ATOM 0 HG22 VAL A 10 4.878 9.144 -6.277 1.00 0.00 H new ATOM 0 HG23 VAL A 10 5.089 7.517 -6.967 1.00 0.00 H new ATOM 134 N PHE A 11 9.626 8.738 -8.626 1.00 0.00 N ATOM 135 CA PHE A 11 10.965 9.162 -9.137 1.00 0.00 C ATOM 136 C PHE A 11 10.982 10.297 -10.237 1.00 0.00 C ATOM 137 O PHE A 11 12.000 10.979 -10.363 1.00 0.00 O ATOM 138 CB PHE A 11 11.757 7.884 -9.565 1.00 0.00 C ATOM 139 CG PHE A 11 13.282 8.075 -9.714 1.00 0.00 C ATOM 140 CD1 PHE A 11 14.132 7.881 -8.621 1.00 0.00 C ATOM 141 CD2 PHE A 11 13.825 8.513 -10.927 1.00 0.00 C ATOM 142 CE1 PHE A 11 15.489 8.176 -8.722 1.00 0.00 C ATOM 143 CE2 PHE A 11 15.181 8.825 -11.022 1.00 0.00 C ATOM 144 CZ PHE A 11 16.010 8.675 -9.914 1.00 0.00 C ATOM 0 H PHE A 11 9.453 7.736 -8.709 1.00 0.00 H new ATOM 0 HA PHE A 11 11.464 9.667 -8.310 1.00 0.00 H new ATOM 0 HB2 PHE A 11 11.575 7.100 -8.830 1.00 0.00 H new ATOM 0 HB3 PHE A 11 11.357 7.529 -10.515 1.00 0.00 H new ATOM 0 HD1 PHE A 11 13.733 7.500 -7.692 1.00 0.00 H new ATOM 0 HD2 PHE A 11 13.190 8.610 -11.795 1.00 0.00 H new ATOM 0 HE1 PHE A 11 16.139 8.018 -7.874 1.00 0.00 H new ATOM 0 HE2 PHE A 11 15.588 9.183 -11.956 1.00 0.00 H new ATOM 0 HZ PHE A 11 17.054 8.945 -9.978 1.00 0.00 H new ATOM 154 N GLY A 12 9.874 10.585 -10.956 1.00 0.00 N ATOM 155 CA GLY A 12 9.667 11.890 -11.658 1.00 0.00 C ATOM 156 C GLY A 12 9.991 13.223 -10.924 1.00 0.00 C ATOM 157 O GLY A 12 10.547 14.136 -11.536 1.00 0.00 O ATOM 0 H GLY A 12 9.099 9.932 -11.071 1.00 0.00 H new ATOM 0 HA2 GLY A 12 10.264 11.867 -12.569 1.00 0.00 H new ATOM 0 HA3 GLY A 12 8.621 11.933 -11.963 1.00 0.00 H new ATOM 161 N LYS A 13 9.695 13.318 -9.616 1.00 0.00 N ATOM 162 CA LYS A 13 10.241 14.397 -8.730 1.00 0.00 C ATOM 163 C LYS A 13 11.798 14.396 -8.493 1.00 0.00 C ATOM 164 O LYS A 13 12.384 15.461 -8.285 1.00 0.00 O ATOM 165 CB LYS A 13 9.491 14.325 -7.367 1.00 0.00 C ATOM 166 CG LYS A 13 8.000 14.741 -7.401 1.00 0.00 C ATOM 167 CD LYS A 13 7.298 14.522 -6.048 1.00 0.00 C ATOM 168 CE LYS A 13 5.837 14.995 -6.066 1.00 0.00 C ATOM 169 NZ LYS A 13 5.198 14.721 -4.763 1.00 0.00 N ATOM 0 H LYS A 13 9.079 12.664 -9.134 1.00 0.00 H new ATOM 0 HA LYS A 13 10.067 15.333 -9.261 1.00 0.00 H new ATOM 0 HB2 LYS A 13 9.556 13.304 -6.990 1.00 0.00 H new ATOM 0 HB3 LYS A 13 10.011 14.963 -6.652 1.00 0.00 H new ATOM 0 HG2 LYS A 13 7.925 15.792 -7.680 1.00 0.00 H new ATOM 0 HG3 LYS A 13 7.484 14.169 -8.172 1.00 0.00 H new ATOM 0 HD2 LYS A 13 7.332 13.463 -5.791 1.00 0.00 H new ATOM 0 HD3 LYS A 13 7.841 15.057 -5.269 1.00 0.00 H new ATOM 0 HE2 LYS A 13 5.795 16.062 -6.283 1.00 0.00 H new ATOM 0 HE3 LYS A 13 5.292 14.486 -6.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 4.210 15.045 -4.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 5.223 13.699 -4.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 5.710 15.226 -4.012 1.00 0.00 H new ATOM 182 N CYS A 14 12.454 13.223 -8.494 1.00 0.00 N ATOM 183 CA CYS A 14 13.927 13.088 -8.334 1.00 0.00 C ATOM 184 C CYS A 14 14.781 13.175 -9.654 1.00 0.00 C ATOM 185 O CYS A 14 15.909 13.677 -9.610 1.00 0.00 O ATOM 186 CB CYS A 14 14.159 11.742 -7.600 1.00 0.00 C ATOM 187 SG CYS A 14 12.944 11.374 -6.291 1.00 0.00 S ATOM 0 H CYS A 14 11.979 12.328 -8.607 1.00 0.00 H new ATOM 0 HA CYS A 14 14.283 13.950 -7.770 1.00 0.00 H new ATOM 0 HB2 CYS A 14 14.140 10.935 -8.333 1.00 0.00 H new ATOM 0 HB3 CYS A 14 15.156 11.750 -7.160 1.00 0.00 H new ATOM 0 HG CYS A 14 13.228 10.229 -5.745 1.00 0.00 H new ATOM 192 N LYS A 15 14.270 12.679 -10.804 1.00 0.00 N ATOM 193 CA LYS A 15 15.049 12.486 -12.066 1.00 0.00 C ATOM 194 C LYS A 15 15.788 13.698 -12.721 1.00 0.00 C ATOM 195 O LYS A 15 16.865 13.507 -13.292 1.00 0.00 O ATOM 196 CB LYS A 15 14.169 11.716 -13.093 1.00 0.00 C ATOM 197 CG LYS A 15 13.029 12.498 -13.791 1.00 0.00 C ATOM 198 CD LYS A 15 12.198 11.606 -14.732 1.00 0.00 C ATOM 199 CE LYS A 15 11.095 12.400 -15.451 1.00 0.00 C ATOM 200 NZ LYS A 15 10.289 11.499 -16.296 1.00 0.00 N ATOM 0 H LYS A 15 13.294 12.396 -10.891 1.00 0.00 H new ATOM 0 HA LYS A 15 15.913 11.909 -11.735 1.00 0.00 H new ATOM 0 HB2 LYS A 15 14.826 11.319 -13.867 1.00 0.00 H new ATOM 0 HB3 LYS A 15 13.726 10.862 -12.581 1.00 0.00 H new ATOM 0 HG2 LYS A 15 12.375 12.934 -13.036 1.00 0.00 H new ATOM 0 HG3 LYS A 15 13.454 13.325 -14.360 1.00 0.00 H new ATOM 0 HD2 LYS A 15 12.855 11.147 -15.471 1.00 0.00 H new ATOM 0 HD3 LYS A 15 11.747 10.796 -14.159 1.00 0.00 H new ATOM 0 HE2 LYS A 15 10.455 12.893 -14.719 1.00 0.00 H new ATOM 0 HE3 LYS A 15 11.541 13.183 -16.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 9.547 12.046 -16.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 10.901 11.048 -17.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 9.850 10.767 -15.702 1.00 0.00 H new ATOM 213 N ALA A 16 15.239 14.926 -12.643 1.00 0.00 N ATOM 214 CA ALA A 16 15.958 16.160 -13.073 1.00 0.00 C ATOM 215 C ALA A 16 17.325 16.465 -12.365 1.00 0.00 C ATOM 216 O ALA A 16 18.254 16.950 -13.017 1.00 0.00 O ATOM 217 CB ALA A 16 14.958 17.322 -12.927 1.00 0.00 C ATOM 0 H ALA A 16 14.299 15.099 -12.287 1.00 0.00 H new ATOM 0 HA ALA A 16 16.280 16.010 -14.104 1.00 0.00 H new ATOM 0 HB1 ALA A 16 15.436 18.254 -13.230 1.00 0.00 H new ATOM 0 HB2 ALA A 16 14.090 17.137 -13.560 1.00 0.00 H new ATOM 0 HB3 ALA A 16 14.639 17.399 -11.887 1.00 0.00 H new ATOM 223 N CYS A 17 17.454 16.160 -11.062 1.00 0.00 N ATOM 224 CA CYS A 17 18.757 16.166 -10.352 1.00 0.00 C ATOM 225 C CYS A 17 19.535 14.803 -10.337 1.00 0.00 C ATOM 226 O CYS A 17 20.762 14.815 -10.474 1.00 0.00 O ATOM 227 CB CYS A 17 18.474 16.645 -8.918 1.00 0.00 C ATOM 228 SG CYS A 17 17.578 18.228 -8.861 1.00 0.00 S ATOM 0 H CYS A 17 16.665 15.903 -10.469 1.00 0.00 H new ATOM 0 HA CYS A 17 19.426 16.829 -10.900 1.00 0.00 H new ATOM 0 HB2 CYS A 17 17.892 15.886 -8.395 1.00 0.00 H new ATOM 0 HB3 CYS A 17 19.418 16.748 -8.382 1.00 0.00 H new ATOM 0 HG CYS A 17 17.373 18.567 -7.623 1.00 0.00 H new ATOM 233 N HIS A 18 18.857 13.661 -10.105 1.00 0.00 N ATOM 234 CA HIS A 18 19.507 12.346 -9.842 1.00 0.00 C ATOM 235 C HIS A 18 19.315 11.337 -11.015 1.00 0.00 C ATOM 236 O HIS A 18 18.202 11.123 -11.505 1.00 0.00 O ATOM 237 CB HIS A 18 18.872 11.738 -8.568 1.00 0.00 C ATOM 238 CG HIS A 18 19.313 12.356 -7.249 1.00 0.00 C ATOM 239 ND1 HIS A 18 20.418 11.927 -6.557 1.00 0.00 N ATOM 240 CD2 HIS A 18 18.519 13.159 -6.432 1.00 0.00 C ATOM 241 CE1 HIS A 18 20.160 12.432 -5.320 1.00 0.00 C ATOM 242 NE2 HIS A 18 19.029 13.215 -5.129 1.00 0.00 N ATOM 0 H HIS A 18 17.838 13.617 -10.093 1.00 0.00 H new ATOM 0 HA HIS A 18 20.577 12.520 -9.725 1.00 0.00 H new ATOM 0 HB2 HIS A 18 17.789 11.829 -8.646 1.00 0.00 H new ATOM 0 HB3 HIS A 18 19.102 10.673 -8.543 1.00 0.00 H new ATOM 0 HD1 HIS A 18 21.215 11.379 -6.881 1.00 0.00 H new ATOM 0 HD2 HIS A 18 17.627 13.671 -6.761 1.00 0.00 H new ATOM 0 HE1 HIS A 18 20.827 12.226 -4.496 1.00 0.00 H new ATOM 250 N LYS A 19 20.397 10.643 -11.400 1.00 0.00 N ATOM 251 CA LYS A 19 20.361 9.637 -12.498 1.00 0.00 C ATOM 252 C LYS A 19 20.280 8.167 -11.964 1.00 0.00 C ATOM 253 O LYS A 19 20.894 7.809 -10.954 1.00 0.00 O ATOM 254 CB LYS A 19 21.623 9.823 -13.388 1.00 0.00 C ATOM 255 CG LYS A 19 21.730 11.165 -14.157 1.00 0.00 C ATOM 256 CD LYS A 19 22.985 11.285 -15.048 1.00 0.00 C ATOM 257 CE LYS A 19 22.908 10.468 -16.350 1.00 0.00 C ATOM 258 NZ LYS A 19 24.123 10.683 -17.159 1.00 0.00 N ATOM 0 H LYS A 19 21.316 10.754 -10.971 1.00 0.00 H new ATOM 0 HA LYS A 19 19.456 9.803 -13.082 1.00 0.00 H new ATOM 0 HB2 LYS A 19 22.505 9.719 -12.756 1.00 0.00 H new ATOM 0 HB3 LYS A 19 21.653 9.010 -14.113 1.00 0.00 H new ATOM 0 HG2 LYS A 19 20.843 11.286 -14.779 1.00 0.00 H new ATOM 0 HG3 LYS A 19 21.729 11.984 -13.438 1.00 0.00 H new ATOM 0 HD2 LYS A 19 23.142 12.334 -15.298 1.00 0.00 H new ATOM 0 HD3 LYS A 19 23.855 10.960 -14.478 1.00 0.00 H new ATOM 0 HE2 LYS A 19 22.800 9.409 -16.117 1.00 0.00 H new ATOM 0 HE3 LYS A 19 22.026 10.761 -16.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 24.313 9.836 -17.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 23.982 11.500 -17.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 24.931 10.864 -16.530 1.00 0.00 H new ATOM 271 N LEU A 20 19.578 7.286 -12.698 1.00 0.00 N ATOM 272 CA LEU A 20 19.656 5.801 -12.477 1.00 0.00 C ATOM 273 C LEU A 20 20.670 5.016 -13.388 1.00 0.00 C ATOM 274 O LEU A 20 20.741 3.789 -13.284 1.00 0.00 O ATOM 275 CB LEU A 20 18.224 5.198 -12.562 1.00 0.00 C ATOM 276 CG LEU A 20 17.202 5.675 -11.498 1.00 0.00 C ATOM 277 CD1 LEU A 20 15.801 5.135 -11.807 1.00 0.00 C ATOM 278 CD2 LEU A 20 17.599 5.304 -10.059 1.00 0.00 C ATOM 0 H LEU A 20 18.947 7.559 -13.451 1.00 0.00 H new ATOM 0 HA LEU A 20 20.075 5.672 -11.479 1.00 0.00 H new ATOM 0 HB2 LEU A 20 17.818 5.423 -13.548 1.00 0.00 H new ATOM 0 HB3 LEU A 20 18.307 4.113 -12.492 1.00 0.00 H new ATOM 0 HG LEU A 20 17.198 6.763 -11.556 1.00 0.00 H new ATOM 0 HD11 LEU A 20 15.101 5.483 -11.047 1.00 0.00 H new ATOM 0 HD12 LEU A 20 15.481 5.492 -12.786 1.00 0.00 H new ATOM 0 HD13 LEU A 20 15.823 4.045 -11.808 1.00 0.00 H new ATOM 0 HD21 LEU A 20 16.840 5.668 -9.367 1.00 0.00 H new ATOM 0 HD22 LEU A 20 17.680 4.221 -9.972 1.00 0.00 H new ATOM 0 HD23 LEU A 20 18.559 5.760 -9.817 1.00 0.00 H new ATOM 290 N ASP A 21 21.495 5.686 -14.215 1.00 0.00 N ATOM 291 CA ASP A 21 22.543 5.035 -15.055 1.00 0.00 C ATOM 292 C ASP A 21 23.843 4.575 -14.302 1.00 0.00 C ATOM 293 O ASP A 21 24.392 3.525 -14.641 1.00 0.00 O ATOM 294 CB ASP A 21 22.832 6.037 -16.210 1.00 0.00 C ATOM 295 CG ASP A 21 23.723 5.499 -17.329 1.00 0.00 C ATOM 296 OD1 ASP A 21 23.313 4.806 -18.252 1.00 0.00 O ATOM 297 OD2 ASP A 21 25.026 5.868 -17.180 1.00 0.00 O ATOM 0 H ASP A 21 21.461 6.699 -14.327 1.00 0.00 H new ATOM 0 HA ASP A 21 22.166 4.079 -15.419 1.00 0.00 H new ATOM 0 HB2 ASP A 21 21.882 6.352 -16.643 1.00 0.00 H new ATOM 0 HB3 ASP A 21 23.301 6.926 -15.789 1.00 0.00 H new ATOM 302 N GLY A 22 24.367 5.367 -13.349 1.00 0.00 N ATOM 303 CA GLY A 22 25.763 5.208 -12.836 1.00 0.00 C ATOM 304 C GLY A 22 26.593 6.511 -12.761 1.00 0.00 C ATOM 305 O GLY A 22 27.354 6.702 -11.813 1.00 0.00 O ATOM 0 H GLY A 22 23.852 6.130 -12.910 1.00 0.00 H new ATOM 0 HA2 GLY A 22 25.718 4.768 -11.840 1.00 0.00 H new ATOM 0 HA3 GLY A 22 26.289 4.498 -13.475 1.00 0.00 H new ATOM 309 N ASN A 23 26.444 7.404 -13.751 1.00 0.00 N ATOM 310 CA ASN A 23 26.986 8.789 -13.693 1.00 0.00 C ATOM 311 C ASN A 23 26.172 9.715 -12.725 1.00 0.00 C ATOM 312 O ASN A 23 24.976 9.521 -12.486 1.00 0.00 O ATOM 313 CB ASN A 23 26.985 9.373 -15.135 1.00 0.00 C ATOM 314 CG ASN A 23 28.025 8.776 -16.089 1.00 0.00 C ATOM 315 OD1 ASN A 23 29.217 9.043 -15.991 1.00 0.00 O ATOM 316 ND2 ASN A 23 27.623 7.965 -17.037 1.00 0.00 N ATOM 0 H ASN A 23 25.947 7.196 -14.617 1.00 0.00 H new ATOM 0 HA ASN A 23 27.999 8.748 -13.294 1.00 0.00 H new ATOM 0 HB2 ASN A 23 25.995 9.227 -15.567 1.00 0.00 H new ATOM 0 HB3 ASN A 23 27.150 10.449 -15.073 1.00 0.00 H new ATOM 0 HD21 ASN A 23 28.300 7.562 -17.685 1.00 0.00 H new ATOM 0 HD22 ASN A 23 26.633 7.737 -17.127 1.00 0.00 H new ATOM 323 N ASP A 24 26.840 10.746 -12.187 1.00 0.00 N ATOM 324 CA ASP A 24 26.202 11.742 -11.277 1.00 0.00 C ATOM 325 C ASP A 24 25.632 12.969 -12.070 1.00 0.00 C ATOM 326 O ASP A 24 26.221 13.400 -13.067 1.00 0.00 O ATOM 327 CB ASP A 24 27.255 12.199 -10.230 1.00 0.00 C ATOM 328 CG ASP A 24 27.828 11.107 -9.311 1.00 0.00 C ATOM 329 OD1 ASP A 24 27.146 10.229 -8.790 1.00 0.00 O ATOM 330 OD2 ASP A 24 29.177 11.235 -9.131 1.00 0.00 O ATOM 0 H ASP A 24 27.829 10.923 -12.361 1.00 0.00 H new ATOM 0 HA ASP A 24 25.356 11.275 -10.773 1.00 0.00 H new ATOM 0 HB2 ASP A 24 28.084 12.667 -10.761 1.00 0.00 H new ATOM 0 HB3 ASP A 24 26.802 12.968 -9.604 1.00 0.00 H new ATOM 335 N GLY A 25 24.503 13.545 -11.614 1.00 0.00 N ATOM 336 CA GLY A 25 23.931 14.777 -12.231 1.00 0.00 C ATOM 337 C GLY A 25 24.138 16.034 -11.361 1.00 0.00 C ATOM 338 O GLY A 25 25.273 16.449 -11.113 1.00 0.00 O ATOM 0 H GLY A 25 23.965 13.186 -10.825 1.00 0.00 H new ATOM 0 HA2 GLY A 25 24.391 14.936 -13.206 1.00 0.00 H new ATOM 0 HA3 GLY A 25 22.864 14.631 -12.402 1.00 0.00 H new ATOM 342 N VAL A 26 23.037 16.623 -10.874 1.00 0.00 N ATOM 343 CA VAL A 26 23.082 17.617 -9.747 1.00 0.00 C ATOM 344 C VAL A 26 23.237 16.885 -8.365 1.00 0.00 C ATOM 345 O VAL A 26 24.109 17.260 -7.577 1.00 0.00 O ATOM 346 CB VAL A 26 21.875 18.624 -9.799 1.00 0.00 C ATOM 347 CG1 VAL A 26 21.945 19.727 -8.715 1.00 0.00 C ATOM 348 CG2 VAL A 26 21.702 19.352 -11.154 1.00 0.00 C ATOM 0 H VAL A 26 22.098 16.441 -11.229 1.00 0.00 H new ATOM 0 HA VAL A 26 23.971 18.236 -9.870 1.00 0.00 H new ATOM 0 HB VAL A 26 21.024 17.965 -9.626 1.00 0.00 H new ATOM 0 HG11 VAL A 26 21.082 20.386 -8.810 1.00 0.00 H new ATOM 0 HG12 VAL A 26 21.944 19.267 -7.727 1.00 0.00 H new ATOM 0 HG13 VAL A 26 22.859 20.306 -8.844 1.00 0.00 H new ATOM 0 HG21 VAL A 26 20.847 20.026 -11.099 1.00 0.00 H new ATOM 0 HG22 VAL A 26 22.602 19.926 -11.376 1.00 0.00 H new ATOM 0 HG23 VAL A 26 21.535 18.618 -11.943 1.00 0.00 H new ATOM 358 N GLY A 27 22.428 15.843 -8.086 1.00 0.00 N ATOM 359 CA GLY A 27 22.761 14.847 -7.039 1.00 0.00 C ATOM 360 C GLY A 27 23.496 13.567 -7.545 1.00 0.00 C ATOM 361 O GLY A 27 23.633 13.373 -8.761 1.00 0.00 O ATOM 0 H GLY A 27 21.545 15.667 -8.565 1.00 0.00 H new ATOM 0 HA2 GLY A 27 23.384 15.330 -6.286 1.00 0.00 H new ATOM 0 HA3 GLY A 27 21.839 14.544 -6.543 1.00 0.00 H new ATOM 365 N PRO A 28 23.963 12.639 -6.660 1.00 0.00 N ATOM 366 CA PRO A 28 24.615 11.372 -7.097 1.00 0.00 C ATOM 367 C PRO A 28 23.668 10.327 -7.775 1.00 0.00 C ATOM 368 O PRO A 28 22.442 10.481 -7.789 1.00 0.00 O ATOM 369 CB PRO A 28 25.227 10.880 -5.767 1.00 0.00 C ATOM 370 CG PRO A 28 24.277 11.404 -4.692 1.00 0.00 C ATOM 371 CD PRO A 28 23.912 12.797 -5.192 1.00 0.00 C ATOM 0 HA PRO A 28 25.336 11.524 -7.901 1.00 0.00 H new ATOM 0 HB2 PRO A 28 25.296 9.793 -5.740 1.00 0.00 H new ATOM 0 HB3 PRO A 28 26.236 11.267 -5.627 1.00 0.00 H new ATOM 0 HG2 PRO A 28 23.396 10.770 -4.590 1.00 0.00 H new ATOM 0 HG3 PRO A 28 24.758 11.441 -3.714 1.00 0.00 H new ATOM 0 HD2 PRO A 28 22.923 13.103 -4.852 1.00 0.00 H new ATOM 0 HD3 PRO A 28 24.617 13.551 -4.841 1.00 0.00 H new ATOM 379 N HIS A 29 24.223 9.228 -8.314 1.00 0.00 N ATOM 380 CA HIS A 29 23.397 8.127 -8.889 1.00 0.00 C ATOM 381 C HIS A 29 22.528 7.373 -7.817 1.00 0.00 C ATOM 382 O HIS A 29 23.054 6.905 -6.800 1.00 0.00 O ATOM 383 CB HIS A 29 24.277 7.186 -9.759 1.00 0.00 C ATOM 384 CG HIS A 29 25.273 6.276 -9.032 1.00 0.00 C ATOM 385 ND1 HIS A 29 26.541 6.674 -8.638 1.00 0.00 N ATOM 386 CD2 HIS A 29 25.055 4.925 -8.714 1.00 0.00 C ATOM 387 CE1 HIS A 29 26.993 5.485 -8.127 1.00 0.00 C ATOM 388 NE2 HIS A 29 26.172 4.390 -8.105 1.00 0.00 N ATOM 0 H HIS A 29 25.229 9.069 -8.368 1.00 0.00 H new ATOM 0 HA HIS A 29 22.658 8.579 -9.550 1.00 0.00 H new ATOM 0 HB2 HIS A 29 23.613 6.554 -10.349 1.00 0.00 H new ATOM 0 HB3 HIS A 29 24.837 7.803 -10.462 1.00 0.00 H new ATOM 0 HD2 HIS A 29 24.143 4.383 -8.917 1.00 0.00 H new ATOM 0 HE1 HIS A 29 27.999 5.412 -7.741 1.00 0.00 H new ATOM 0 HE2 HIS A 29 26.338 3.451 -7.743 1.00 0.00 H new ATOM 396 N LEU A 30 21.203 7.264 -8.030 1.00 0.00 N ATOM 397 CA LEU A 30 20.291 6.554 -7.073 1.00 0.00 C ATOM 398 C LEU A 30 20.018 5.036 -7.339 1.00 0.00 C ATOM 399 O LEU A 30 19.342 4.417 -6.511 1.00 0.00 O ATOM 400 CB LEU A 30 18.982 7.371 -6.861 1.00 0.00 C ATOM 401 CG LEU A 30 19.100 8.704 -6.074 1.00 0.00 C ATOM 402 CD1 LEU A 30 17.740 9.421 -6.026 1.00 0.00 C ATOM 403 CD2 LEU A 30 19.608 8.556 -4.626 1.00 0.00 C ATOM 0 H LEU A 30 20.729 7.651 -8.846 1.00 0.00 H new ATOM 0 HA LEU A 30 20.856 6.515 -6.141 1.00 0.00 H new ATOM 0 HB2 LEU A 30 18.559 7.593 -7.841 1.00 0.00 H new ATOM 0 HB3 LEU A 30 18.266 6.734 -6.342 1.00 0.00 H new ATOM 0 HG LEU A 30 19.845 9.281 -6.622 1.00 0.00 H new ATOM 0 HD11 LEU A 30 17.840 10.354 -5.471 1.00 0.00 H new ATOM 0 HD12 LEU A 30 17.406 9.637 -7.041 1.00 0.00 H new ATOM 0 HD13 LEU A 30 17.009 8.781 -5.532 1.00 0.00 H new ATOM 0 HD21 LEU A 30 19.658 9.538 -4.156 1.00 0.00 H new ATOM 0 HD22 LEU A 30 18.925 7.919 -4.064 1.00 0.00 H new ATOM 0 HD23 LEU A 30 20.601 8.106 -4.633 1.00 0.00 H new ATOM 415 N ASN A 31 20.597 4.384 -8.375 1.00 0.00 N ATOM 416 CA ASN A 31 20.733 2.897 -8.382 1.00 0.00 C ATOM 417 C ASN A 31 21.689 2.412 -7.238 1.00 0.00 C ATOM 418 O ASN A 31 22.810 2.916 -7.092 1.00 0.00 O ATOM 419 CB ASN A 31 21.084 2.336 -9.791 1.00 0.00 C ATOM 420 CG ASN A 31 22.530 2.476 -10.296 1.00 0.00 C ATOM 421 OD1 ASN A 31 23.477 1.917 -9.758 1.00 0.00 O ATOM 422 ND2 ASN A 31 22.771 3.188 -11.360 1.00 0.00 N ATOM 0 H ASN A 31 20.972 4.847 -9.203 1.00 0.00 H new ATOM 0 HA ASN A 31 19.756 2.469 -8.158 1.00 0.00 H new ATOM 0 HB2 ASN A 31 20.831 1.276 -9.798 1.00 0.00 H new ATOM 0 HB3 ASN A 31 20.431 2.824 -10.515 1.00 0.00 H new ATOM 0 HD21 ASN A 31 23.723 3.265 -11.717 1.00 0.00 H new ATOM 0 HD22 ASN A 31 22.007 3.669 -11.836 1.00 0.00 H new ATOM 429 N GLY A 32 21.211 1.497 -6.384 1.00 0.00 N ATOM 430 CA GLY A 32 22.019 1.018 -5.226 1.00 0.00 C ATOM 431 C GLY A 32 22.214 2.008 -4.056 1.00 0.00 C ATOM 432 O GLY A 32 23.339 2.172 -3.584 1.00 0.00 O ATOM 0 H GLY A 32 20.287 1.072 -6.460 1.00 0.00 H new ATOM 0 HA2 GLY A 32 21.549 0.116 -4.833 1.00 0.00 H new ATOM 0 HA3 GLY A 32 23.003 0.730 -5.595 1.00 0.00 H new ATOM 436 N VAL A 33 21.134 2.657 -3.597 1.00 0.00 N ATOM 437 CA VAL A 33 21.155 3.563 -2.405 1.00 0.00 C ATOM 438 C VAL A 33 20.643 2.920 -1.067 1.00 0.00 C ATOM 439 O VAL A 33 21.070 3.363 0.002 1.00 0.00 O ATOM 440 CB VAL A 33 20.474 4.932 -2.757 1.00 0.00 C ATOM 441 CG1 VAL A 33 18.938 4.862 -2.903 1.00 0.00 C ATOM 442 CG2 VAL A 33 20.830 6.062 -1.760 1.00 0.00 C ATOM 0 H VAL A 33 20.214 2.579 -4.031 1.00 0.00 H new ATOM 0 HA VAL A 33 22.203 3.755 -2.177 1.00 0.00 H new ATOM 0 HB VAL A 33 20.892 5.170 -3.735 1.00 0.00 H new ATOM 0 HG11 VAL A 33 18.550 5.851 -3.146 1.00 0.00 H new ATOM 0 HG12 VAL A 33 18.680 4.165 -3.700 1.00 0.00 H new ATOM 0 HG13 VAL A 33 18.499 4.521 -1.966 1.00 0.00 H new ATOM 0 HG21 VAL A 33 20.328 6.982 -2.059 1.00 0.00 H new ATOM 0 HG22 VAL A 33 20.505 5.780 -0.759 1.00 0.00 H new ATOM 0 HG23 VAL A 33 21.908 6.221 -1.760 1.00 0.00 H new ATOM 452 N VAL A 34 19.732 1.925 -1.087 1.00 0.00 N ATOM 453 CA VAL A 34 19.075 1.391 0.144 1.00 0.00 C ATOM 454 C VAL A 34 20.039 0.373 0.841 1.00 0.00 C ATOM 455 O VAL A 34 20.251 -0.745 0.360 1.00 0.00 O ATOM 456 CB VAL A 34 17.652 0.803 -0.155 1.00 0.00 C ATOM 457 CG1 VAL A 34 16.928 0.430 1.166 1.00 0.00 C ATOM 458 CG2 VAL A 34 16.716 1.756 -0.935 1.00 0.00 C ATOM 0 H VAL A 34 19.427 1.466 -1.945 1.00 0.00 H new ATOM 0 HA VAL A 34 18.893 2.209 0.841 1.00 0.00 H new ATOM 0 HB VAL A 34 17.843 -0.069 -0.780 1.00 0.00 H new ATOM 0 HG11 VAL A 34 15.942 0.024 0.939 1.00 0.00 H new ATOM 0 HG12 VAL A 34 17.513 -0.316 1.703 1.00 0.00 H new ATOM 0 HG13 VAL A 34 16.819 1.320 1.785 1.00 0.00 H new ATOM 0 HG21 VAL A 34 15.755 1.269 -1.098 1.00 0.00 H new ATOM 0 HG22 VAL A 34 16.567 2.670 -0.361 1.00 0.00 H new ATOM 0 HG23 VAL A 34 17.166 2.001 -1.897 1.00 0.00 H new ATOM 468 N GLY A 35 20.655 0.803 1.954 1.00 0.00 N ATOM 469 CA GLY A 35 21.899 0.169 2.472 1.00 0.00 C ATOM 470 C GLY A 35 23.256 0.855 2.155 1.00 0.00 C ATOM 471 O GLY A 35 24.246 0.484 2.787 1.00 0.00 O ATOM 0 H GLY A 35 20.320 1.584 2.518 1.00 0.00 H new ATOM 0 HA2 GLY A 35 21.809 0.094 3.556 1.00 0.00 H new ATOM 0 HA3 GLY A 35 21.941 -0.849 2.084 1.00 0.00 H new ATOM 475 N ARG A 36 23.343 1.827 1.223 1.00 0.00 N ATOM 476 CA ARG A 36 24.608 2.562 0.933 1.00 0.00 C ATOM 477 C ARG A 36 24.972 3.599 2.043 1.00 0.00 C ATOM 478 O ARG A 36 24.100 4.254 2.621 1.00 0.00 O ATOM 479 CB ARG A 36 24.464 3.230 -0.464 1.00 0.00 C ATOM 480 CG ARG A 36 25.745 3.907 -1.028 1.00 0.00 C ATOM 481 CD ARG A 36 25.670 4.327 -2.508 1.00 0.00 C ATOM 482 NE ARG A 36 24.822 5.536 -2.727 1.00 0.00 N ATOM 483 CZ ARG A 36 24.248 5.866 -3.886 1.00 0.00 C ATOM 484 NH1 ARG A 36 24.122 5.051 -4.900 1.00 0.00 N ATOM 485 NH2 ARG A 36 23.787 7.072 -4.033 1.00 0.00 N ATOM 0 H ARG A 36 22.553 2.127 0.652 1.00 0.00 H new ATOM 0 HA ARG A 36 25.439 1.857 0.925 1.00 0.00 H new ATOM 0 HB2 ARG A 36 24.133 2.473 -1.175 1.00 0.00 H new ATOM 0 HB3 ARG A 36 23.675 3.980 -0.407 1.00 0.00 H new ATOM 0 HG2 ARG A 36 25.964 4.790 -0.427 1.00 0.00 H new ATOM 0 HG3 ARG A 36 26.583 3.221 -0.904 1.00 0.00 H new ATOM 0 HD2 ARG A 36 26.677 4.524 -2.876 1.00 0.00 H new ATOM 0 HD3 ARG A 36 25.272 3.499 -3.096 1.00 0.00 H new ATOM 0 HE ARG A 36 24.670 6.156 -1.932 1.00 0.00 H new ATOM 0 HH11 ARG A 36 24.474 4.096 -4.833 1.00 0.00 H new ATOM 0 HH12 ARG A 36 23.672 5.370 -5.758 1.00 0.00 H new ATOM 0 HH21 ARG A 36 23.868 7.745 -3.271 1.00 0.00 H new ATOM 0 HH22 ARG A 36 23.345 7.345 -4.910 1.00 0.00 H new ATOM 499 N THR A 37 26.281 3.786 2.284 1.00 0.00 N ATOM 500 CA THR A 37 26.813 4.761 3.282 1.00 0.00 C ATOM 501 C THR A 37 26.302 6.229 3.080 1.00 0.00 C ATOM 502 O THR A 37 26.183 6.713 1.946 1.00 0.00 O ATOM 503 CB THR A 37 28.373 4.654 3.268 1.00 0.00 C ATOM 504 OG1 THR A 37 28.784 3.316 3.535 1.00 0.00 O ATOM 505 CG2 THR A 37 29.114 5.505 4.313 1.00 0.00 C ATOM 0 H THR A 37 27.012 3.268 1.796 1.00 0.00 H new ATOM 0 HA THR A 37 26.428 4.498 4.267 1.00 0.00 H new ATOM 0 HB THR A 37 28.631 5.015 2.272 1.00 0.00 H new ATOM 0 HG1 THR A 37 29.763 3.265 3.521 1.00 0.00 H new ATOM 0 HG21 THR A 37 30.188 5.352 4.211 1.00 0.00 H new ATOM 0 HG22 THR A 37 28.881 6.558 4.156 1.00 0.00 H new ATOM 0 HG23 THR A 37 28.799 5.209 5.313 1.00 0.00 H new ATOM 513 N VAL A 38 26.024 6.946 4.188 1.00 0.00 N ATOM 514 CA VAL A 38 25.727 8.414 4.137 1.00 0.00 C ATOM 515 C VAL A 38 27.030 9.196 3.741 1.00 0.00 C ATOM 516 O VAL A 38 28.036 9.157 4.456 1.00 0.00 O ATOM 517 CB VAL A 38 25.072 8.970 5.446 1.00 0.00 C ATOM 518 CG1 VAL A 38 24.668 10.458 5.305 1.00 0.00 C ATOM 519 CG2 VAL A 38 23.803 8.217 5.901 1.00 0.00 C ATOM 0 H VAL A 38 25.996 6.548 5.127 1.00 0.00 H new ATOM 0 HA VAL A 38 24.969 8.571 3.369 1.00 0.00 H new ATOM 0 HB VAL A 38 25.855 8.831 6.191 1.00 0.00 H new ATOM 0 HG11 VAL A 38 24.218 10.803 6.236 1.00 0.00 H new ATOM 0 HG12 VAL A 38 25.553 11.056 5.087 1.00 0.00 H new ATOM 0 HG13 VAL A 38 23.949 10.564 4.493 1.00 0.00 H new ATOM 0 HG21 VAL A 38 23.418 8.671 6.814 1.00 0.00 H new ATOM 0 HG22 VAL A 38 23.045 8.276 5.120 1.00 0.00 H new ATOM 0 HG23 VAL A 38 24.048 7.172 6.091 1.00 0.00 H new ATOM 529 N ALA A 39 26.999 9.837 2.555 1.00 0.00 N ATOM 530 CA ALA A 39 28.221 10.226 1.790 1.00 0.00 C ATOM 531 C ALA A 39 29.035 9.007 1.224 1.00 0.00 C ATOM 532 O ALA A 39 30.194 8.782 1.582 1.00 0.00 O ATOM 533 CB ALA A 39 29.060 11.298 2.520 1.00 0.00 C ATOM 0 H ALA A 39 26.130 10.104 2.093 1.00 0.00 H new ATOM 0 HA ALA A 39 27.869 10.722 0.885 1.00 0.00 H new ATOM 0 HB1 ALA A 39 29.936 11.544 1.921 1.00 0.00 H new ATOM 0 HB2 ALA A 39 28.457 12.194 2.667 1.00 0.00 H new ATOM 0 HB3 ALA A 39 29.379 10.913 3.488 1.00 0.00 H new ATOM 539 N GLY A 40 28.403 8.219 0.333 1.00 0.00 N ATOM 540 CA GLY A 40 28.963 6.918 -0.137 1.00 0.00 C ATOM 541 C GLY A 40 29.517 6.804 -1.576 1.00 0.00 C ATOM 542 O GLY A 40 30.287 5.877 -1.833 1.00 0.00 O ATOM 0 H GLY A 40 27.501 8.454 -0.082 1.00 0.00 H new ATOM 0 HA2 GLY A 40 29.767 6.643 0.545 1.00 0.00 H new ATOM 0 HA3 GLY A 40 28.181 6.167 -0.028 1.00 0.00 H new ATOM 546 N VAL A 41 29.135 7.682 -2.520 1.00 0.00 N ATOM 547 CA VAL A 41 29.643 7.634 -3.927 1.00 0.00 C ATOM 548 C VAL A 41 31.042 8.327 -4.011 1.00 0.00 C ATOM 549 O VAL A 41 31.151 9.555 -4.095 1.00 0.00 O ATOM 550 CB VAL A 41 28.588 8.210 -4.938 1.00 0.00 C ATOM 551 CG1 VAL A 41 29.083 8.257 -6.405 1.00 0.00 C ATOM 552 CG2 VAL A 41 27.264 7.411 -4.948 1.00 0.00 C ATOM 0 H VAL A 41 28.475 8.440 -2.346 1.00 0.00 H new ATOM 0 HA VAL A 41 29.786 6.596 -4.226 1.00 0.00 H new ATOM 0 HB VAL A 41 28.428 9.223 -4.570 1.00 0.00 H new ATOM 0 HG11 VAL A 41 28.298 8.666 -7.041 1.00 0.00 H new ATOM 0 HG12 VAL A 41 29.969 8.888 -6.470 1.00 0.00 H new ATOM 0 HG13 VAL A 41 29.331 7.249 -6.738 1.00 0.00 H new ATOM 0 HG21 VAL A 41 26.575 7.857 -5.666 1.00 0.00 H new ATOM 0 HG22 VAL A 41 27.465 6.378 -5.231 1.00 0.00 H new ATOM 0 HG23 VAL A 41 26.817 7.434 -3.954 1.00 0.00 H new ATOM 562 N ASP A 42 32.105 7.505 -4.054 1.00 0.00 N ATOM 563 CA ASP A 42 33.503 7.971 -4.278 1.00 0.00 C ATOM 564 C ASP A 42 33.695 8.464 -5.752 1.00 0.00 C ATOM 565 O ASP A 42 33.752 7.669 -6.696 1.00 0.00 O ATOM 566 CB ASP A 42 34.463 6.805 -3.925 1.00 0.00 C ATOM 567 CG ASP A 42 34.547 6.457 -2.438 1.00 0.00 C ATOM 568 OD1 ASP A 42 35.317 6.998 -1.652 1.00 0.00 O ATOM 569 OD2 ASP A 42 33.662 5.484 -2.084 1.00 0.00 O ATOM 0 H ASP A 42 32.029 6.495 -3.935 1.00 0.00 H new ATOM 0 HA ASP A 42 33.726 8.824 -3.637 1.00 0.00 H new ATOM 0 HB2 ASP A 42 34.147 5.917 -4.472 1.00 0.00 H new ATOM 0 HB3 ASP A 42 35.462 7.058 -4.279 1.00 0.00 H new ATOM 574 N GLY A 43 33.697 9.791 -5.937 1.00 0.00 N ATOM 575 CA GLY A 43 33.330 10.408 -7.243 1.00 0.00 C ATOM 576 C GLY A 43 32.474 11.688 -7.109 1.00 0.00 C ATOM 577 O GLY A 43 32.820 12.719 -7.688 1.00 0.00 O ATOM 0 H GLY A 43 33.945 10.464 -5.212 1.00 0.00 H new ATOM 0 HA2 GLY A 43 34.242 10.647 -7.790 1.00 0.00 H new ATOM 0 HA3 GLY A 43 32.783 9.677 -7.839 1.00 0.00 H new ATOM 581 N PHE A 44 31.364 11.629 -6.349 1.00 0.00 N ATOM 582 CA PHE A 44 30.601 12.840 -5.950 1.00 0.00 C ATOM 583 C PHE A 44 31.209 13.467 -4.653 1.00 0.00 C ATOM 584 O PHE A 44 31.301 12.803 -3.615 1.00 0.00 O ATOM 585 CB PHE A 44 29.114 12.422 -5.760 1.00 0.00 C ATOM 586 CG PHE A 44 28.127 13.599 -5.659 1.00 0.00 C ATOM 587 CD1 PHE A 44 27.591 14.173 -6.816 1.00 0.00 C ATOM 588 CD2 PHE A 44 27.776 14.124 -4.412 1.00 0.00 C ATOM 589 CE1 PHE A 44 26.713 15.250 -6.727 1.00 0.00 C ATOM 590 CE2 PHE A 44 26.905 15.207 -4.321 1.00 0.00 C ATOM 591 CZ PHE A 44 26.371 15.766 -5.480 1.00 0.00 C ATOM 0 H PHE A 44 30.970 10.757 -5.996 1.00 0.00 H new ATOM 0 HA PHE A 44 30.661 13.609 -6.720 1.00 0.00 H new ATOM 0 HB2 PHE A 44 28.819 11.788 -6.596 1.00 0.00 H new ATOM 0 HB3 PHE A 44 29.032 11.818 -4.857 1.00 0.00 H new ATOM 0 HD1 PHE A 44 27.860 13.778 -7.785 1.00 0.00 H new ATOM 0 HD2 PHE A 44 28.183 13.687 -3.512 1.00 0.00 H new ATOM 0 HE1 PHE A 44 26.298 15.685 -7.624 1.00 0.00 H new ATOM 0 HE2 PHE A 44 26.644 15.612 -3.355 1.00 0.00 H new ATOM 0 HZ PHE A 44 25.690 16.602 -5.411 1.00 0.00 H new ATOM 601 N ASN A 45 31.573 14.763 -4.692 1.00 0.00 N ATOM 602 CA ASN A 45 31.905 15.526 -3.457 1.00 0.00 C ATOM 603 C ASN A 45 30.593 16.000 -2.750 1.00 0.00 C ATOM 604 O ASN A 45 29.801 16.757 -3.319 1.00 0.00 O ATOM 605 CB ASN A 45 32.859 16.695 -3.818 1.00 0.00 C ATOM 606 CG ASN A 45 33.458 17.442 -2.612 1.00 0.00 C ATOM 607 OD1 ASN A 45 33.594 16.930 -1.503 1.00 0.00 O ATOM 608 ND2 ASN A 45 33.850 18.679 -2.791 1.00 0.00 N ATOM 0 H ASN A 45 31.646 15.306 -5.552 1.00 0.00 H new ATOM 0 HA ASN A 45 32.428 14.889 -2.743 1.00 0.00 H new ATOM 0 HB2 ASN A 45 33.675 16.304 -4.426 1.00 0.00 H new ATOM 0 HB3 ASN A 45 32.316 17.410 -4.436 1.00 0.00 H new ATOM 0 HD21 ASN A 45 34.260 19.201 -2.017 1.00 0.00 H new ATOM 0 HD22 ASN A 45 33.745 19.120 -3.705 1.00 0.00 H new ATOM 615 N TYR A 46 30.377 15.532 -1.515 1.00 0.00 N ATOM 616 CA TYR A 46 29.158 15.848 -0.719 1.00 0.00 C ATOM 617 C TYR A 46 29.332 17.143 0.156 1.00 0.00 C ATOM 618 O TYR A 46 30.424 17.710 0.271 1.00 0.00 O ATOM 619 CB TYR A 46 28.823 14.573 0.120 1.00 0.00 C ATOM 620 CG TYR A 46 28.309 13.340 -0.653 1.00 0.00 C ATOM 621 CD1 TYR A 46 29.208 12.390 -1.153 1.00 0.00 C ATOM 622 CD2 TYR A 46 26.937 13.140 -0.834 1.00 0.00 C ATOM 623 CE1 TYR A 46 28.740 11.259 -1.819 1.00 0.00 C ATOM 624 CE2 TYR A 46 26.472 12.003 -1.488 1.00 0.00 C ATOM 625 CZ TYR A 46 27.371 11.053 -1.969 1.00 0.00 C ATOM 626 OH TYR A 46 26.931 9.888 -2.548 1.00 0.00 O ATOM 0 H TYR A 46 31.035 14.923 -1.029 1.00 0.00 H new ATOM 0 HA TYR A 46 28.321 16.088 -1.374 1.00 0.00 H new ATOM 0 HB2 TYR A 46 29.721 14.281 0.665 1.00 0.00 H new ATOM 0 HB3 TYR A 46 28.073 14.844 0.863 1.00 0.00 H new ATOM 0 HD1 TYR A 46 30.270 12.535 -1.022 1.00 0.00 H new ATOM 0 HD2 TYR A 46 26.234 13.872 -0.464 1.00 0.00 H new ATOM 0 HE1 TYR A 46 29.440 10.541 -2.220 1.00 0.00 H new ATOM 0 HE2 TYR A 46 25.411 11.856 -1.623 1.00 0.00 H new ATOM 0 HH TYR A 46 25.952 9.889 -2.582 1.00 0.00 H new ATOM 636 N SER A 47 28.246 17.617 0.801 1.00 0.00 N ATOM 637 CA SER A 47 28.331 18.717 1.809 1.00 0.00 C ATOM 638 C SER A 47 29.026 18.273 3.141 1.00 0.00 C ATOM 639 O SER A 47 28.976 17.098 3.523 1.00 0.00 O ATOM 640 CB SER A 47 26.900 19.253 2.066 1.00 0.00 C ATOM 641 OG SER A 47 26.952 20.500 2.762 1.00 0.00 O ATOM 0 H SER A 47 27.301 17.264 0.650 1.00 0.00 H new ATOM 0 HA SER A 47 28.962 19.509 1.407 1.00 0.00 H new ATOM 0 HB2 SER A 47 26.377 19.380 1.118 1.00 0.00 H new ATOM 0 HB3 SER A 47 26.332 18.528 2.649 1.00 0.00 H new ATOM 0 HG SER A 47 26.239 20.530 3.434 1.00 0.00 H new ATOM 647 N ASP A 48 29.654 19.214 3.873 1.00 0.00 N ATOM 648 CA ASP A 48 30.320 18.905 5.176 1.00 0.00 C ATOM 649 C ASP A 48 29.414 18.266 6.295 1.00 0.00 C ATOM 650 O ASP A 48 29.908 17.301 6.886 1.00 0.00 O ATOM 651 CB ASP A 48 31.106 20.133 5.710 1.00 0.00 C ATOM 652 CG ASP A 48 32.357 19.836 6.553 1.00 0.00 C ATOM 653 OD1 ASP A 48 32.200 18.786 7.421 1.00 0.00 O ATOM 654 OD2 ASP A 48 33.385 20.499 6.456 1.00 0.00 O ATOM 0 H ASP A 48 29.720 20.193 3.595 1.00 0.00 H new ATOM 0 HA ASP A 48 31.016 18.104 4.928 1.00 0.00 H new ATOM 0 HB2 ASP A 48 31.406 20.742 4.858 1.00 0.00 H new ATOM 0 HB3 ASP A 48 30.426 20.738 6.310 1.00 0.00 H new ATOM 659 N PRO A 49 28.163 18.704 6.631 1.00 0.00 N ATOM 660 CA PRO A 49 27.236 17.906 7.482 1.00 0.00 C ATOM 661 C PRO A 49 26.693 16.565 6.890 1.00 0.00 C ATOM 662 O PRO A 49 26.410 15.657 7.670 1.00 0.00 O ATOM 663 CB PRO A 49 26.137 18.919 7.847 1.00 0.00 C ATOM 664 CG PRO A 49 26.204 20.032 6.802 1.00 0.00 C ATOM 665 CD PRO A 49 27.595 19.986 6.178 1.00 0.00 C ATOM 0 HA PRO A 49 27.767 17.500 8.343 1.00 0.00 H new ATOM 0 HB2 PRO A 49 25.156 18.444 7.845 1.00 0.00 H new ATOM 0 HB3 PRO A 49 26.295 19.318 8.849 1.00 0.00 H new ATOM 0 HG2 PRO A 49 25.437 19.891 6.041 1.00 0.00 H new ATOM 0 HG3 PRO A 49 26.021 21.003 7.263 1.00 0.00 H new ATOM 0 HD2 PRO A 49 27.543 20.035 5.090 1.00 0.00 H new ATOM 0 HD3 PRO A 49 28.205 20.828 6.506 1.00 0.00 H new ATOM 673 N MET A 50 26.585 16.397 5.555 1.00 0.00 N ATOM 674 CA MET A 50 26.401 15.054 4.923 1.00 0.00 C ATOM 675 C MET A 50 27.613 14.076 5.129 1.00 0.00 C ATOM 676 O MET A 50 27.406 12.938 5.557 1.00 0.00 O ATOM 677 CB MET A 50 26.010 15.287 3.437 1.00 0.00 C ATOM 678 CG MET A 50 25.581 14.030 2.653 1.00 0.00 C ATOM 679 SD MET A 50 24.151 13.234 3.413 1.00 0.00 S ATOM 680 CE MET A 50 22.806 14.118 2.609 1.00 0.00 C ATOM 0 H MET A 50 26.621 17.167 4.887 1.00 0.00 H new ATOM 0 HA MET A 50 25.595 14.521 5.427 1.00 0.00 H new ATOM 0 HB2 MET A 50 25.194 16.009 3.404 1.00 0.00 H new ATOM 0 HB3 MET A 50 26.858 15.741 2.924 1.00 0.00 H new ATOM 0 HG2 MET A 50 25.343 14.304 1.625 1.00 0.00 H new ATOM 0 HG3 MET A 50 26.411 13.325 2.610 1.00 0.00 H new ATOM 0 HE1 MET A 50 21.888 13.983 3.181 1.00 0.00 H new ATOM 0 HE2 MET A 50 23.048 15.180 2.557 1.00 0.00 H new ATOM 0 HE3 MET A 50 22.666 13.728 1.601 1.00 0.00 H new ATOM 690 N LYS A 51 28.861 14.526 4.890 1.00 0.00 N ATOM 691 CA LYS A 51 30.099 13.779 5.277 1.00 0.00 C ATOM 692 C LYS A 51 30.280 13.498 6.808 1.00 0.00 C ATOM 693 O LYS A 51 30.625 12.373 7.176 1.00 0.00 O ATOM 694 CB LYS A 51 31.340 14.485 4.655 1.00 0.00 C ATOM 695 CG LYS A 51 31.389 14.470 3.107 1.00 0.00 C ATOM 696 CD LYS A 51 32.640 15.095 2.458 1.00 0.00 C ATOM 697 CE LYS A 51 32.725 16.625 2.596 1.00 0.00 C ATOM 698 NZ LYS A 51 33.787 17.156 1.718 1.00 0.00 N ATOM 0 H LYS A 51 29.051 15.414 4.425 1.00 0.00 H new ATOM 0 HA LYS A 51 29.988 12.777 4.863 1.00 0.00 H new ATOM 0 HB2 LYS A 51 31.359 15.520 4.995 1.00 0.00 H new ATOM 0 HB3 LYS A 51 32.242 14.007 5.038 1.00 0.00 H new ATOM 0 HG2 LYS A 51 31.310 13.436 2.772 1.00 0.00 H new ATOM 0 HG3 LYS A 51 30.510 14.995 2.732 1.00 0.00 H new ATOM 0 HD2 LYS A 51 33.529 14.651 2.907 1.00 0.00 H new ATOM 0 HD3 LYS A 51 32.654 14.836 1.399 1.00 0.00 H new ATOM 0 HE2 LYS A 51 31.767 17.075 2.334 1.00 0.00 H new ATOM 0 HE3 LYS A 51 32.931 16.893 3.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 33.905 18.174 1.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 34.681 16.664 1.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 33.523 17.004 0.723 1.00 0.00 H new ATOM 711 N ALA A 52 30.017 14.476 7.693 1.00 0.00 N ATOM 712 CA ALA A 52 29.985 14.251 9.164 1.00 0.00 C ATOM 713 C ALA A 52 28.793 13.435 9.778 1.00 0.00 C ATOM 714 O ALA A 52 28.912 13.006 10.928 1.00 0.00 O ATOM 715 CB ALA A 52 30.065 15.654 9.787 1.00 0.00 C ATOM 0 H ALA A 52 29.821 15.439 7.420 1.00 0.00 H new ATOM 0 HA ALA A 52 30.819 13.589 9.397 1.00 0.00 H new ATOM 0 HB1 ALA A 52 30.047 15.571 10.874 1.00 0.00 H new ATOM 0 HB2 ALA A 52 30.991 16.138 9.476 1.00 0.00 H new ATOM 0 HB3 ALA A 52 29.215 16.249 9.454 1.00 0.00 H new ATOM 721 N HIS A 53 27.673 13.203 9.060 1.00 0.00 N ATOM 722 CA HIS A 53 26.525 12.394 9.570 1.00 0.00 C ATOM 723 C HIS A 53 26.861 10.881 9.814 1.00 0.00 C ATOM 724 O HIS A 53 26.673 10.395 10.933 1.00 0.00 O ATOM 725 CB HIS A 53 25.320 12.638 8.615 1.00 0.00 C ATOM 726 CG HIS A 53 23.964 12.094 9.071 1.00 0.00 C ATOM 727 ND1 HIS A 53 23.525 10.801 8.830 1.00 0.00 N ATOM 728 CD2 HIS A 53 22.952 12.846 9.691 1.00 0.00 C ATOM 729 CE1 HIS A 53 22.262 10.889 9.351 1.00 0.00 C ATOM 730 NE2 HIS A 53 21.822 12.072 9.882 1.00 0.00 N ATOM 0 H HIS A 53 27.531 13.564 8.117 1.00 0.00 H new ATOM 0 HA HIS A 53 26.263 12.728 10.574 1.00 0.00 H new ATOM 0 HB2 HIS A 53 25.221 13.712 8.459 1.00 0.00 H new ATOM 0 HB3 HIS A 53 25.557 12.195 7.647 1.00 0.00 H new ATOM 0 HD2 HIS A 53 23.044 13.883 9.978 1.00 0.00 H new ATOM 0 HE1 HIS A 53 21.613 10.026 9.343 1.00 0.00 H new ATOM 0 HE2 HIS A 53 20.922 12.312 10.298 1.00 0.00 H new ATOM 738 N GLY A 54 27.353 10.152 8.794 1.00 0.00 N ATOM 739 CA GLY A 54 27.746 8.727 8.951 1.00 0.00 C ATOM 740 C GLY A 54 26.602 7.685 8.944 1.00 0.00 C ATOM 741 O GLY A 54 25.418 7.994 8.787 1.00 0.00 O ATOM 0 H GLY A 54 27.490 10.520 7.852 1.00 0.00 H new ATOM 0 HA2 GLY A 54 28.440 8.475 8.149 1.00 0.00 H new ATOM 0 HA3 GLY A 54 28.292 8.626 9.889 1.00 0.00 H new ATOM 745 N GLY A 55 26.986 6.410 9.092 1.00 0.00 N ATOM 746 CA GLY A 55 26.026 5.279 8.982 1.00 0.00 C ATOM 747 C GLY A 55 25.603 4.925 7.537 1.00 0.00 C ATOM 748 O GLY A 55 26.378 5.081 6.590 1.00 0.00 O ATOM 0 H GLY A 55 27.946 6.126 9.287 1.00 0.00 H new ATOM 0 HA2 GLY A 55 26.472 4.397 9.442 1.00 0.00 H new ATOM 0 HA3 GLY A 55 25.133 5.522 9.558 1.00 0.00 H new ATOM 752 N ASP A 56 24.371 4.421 7.378 1.00 0.00 N ATOM 753 CA ASP A 56 23.850 3.957 6.058 1.00 0.00 C ATOM 754 C ASP A 56 22.409 4.484 5.779 1.00 0.00 C ATOM 755 O ASP A 56 21.610 4.720 6.694 1.00 0.00 O ATOM 756 CB ASP A 56 23.871 2.405 5.970 1.00 0.00 C ATOM 757 CG ASP A 56 25.244 1.740 6.062 1.00 0.00 C ATOM 758 OD1 ASP A 56 25.983 1.919 4.934 1.00 0.00 O ATOM 759 OD2 ASP A 56 25.637 1.118 7.044 1.00 0.00 O ATOM 0 H ASP A 56 23.704 4.319 8.143 1.00 0.00 H new ATOM 0 HA ASP A 56 24.511 4.368 5.295 1.00 0.00 H new ATOM 0 HB2 ASP A 56 23.245 2.009 6.769 1.00 0.00 H new ATOM 0 HB3 ASP A 56 23.410 2.110 5.027 1.00 0.00 H new ATOM 764 N TRP A 57 22.047 4.580 4.487 1.00 0.00 N ATOM 765 CA TRP A 57 20.661 4.905 4.054 1.00 0.00 C ATOM 766 C TRP A 57 19.684 3.693 4.178 1.00 0.00 C ATOM 767 O TRP A 57 19.308 3.032 3.206 1.00 0.00 O ATOM 768 CB TRP A 57 20.710 5.507 2.622 1.00 0.00 C ATOM 769 CG TRP A 57 21.199 6.956 2.539 1.00 0.00 C ATOM 770 CD1 TRP A 57 22.386 7.382 1.912 1.00 0.00 C ATOM 771 CD2 TRP A 57 20.651 8.093 3.117 1.00 0.00 C ATOM 772 NE1 TRP A 57 22.579 8.765 2.064 1.00 0.00 N ATOM 773 CE2 TRP A 57 21.509 9.180 2.831 1.00 0.00 C ATOM 774 CE3 TRP A 57 19.527 8.273 3.969 1.00 0.00 C ATOM 775 CZ2 TRP A 57 21.267 10.448 3.403 1.00 0.00 C ATOM 776 CZ3 TRP A 57 19.316 9.530 4.533 1.00 0.00 C ATOM 777 CH2 TRP A 57 20.177 10.600 4.260 1.00 0.00 C ATOM 0 H TRP A 57 22.696 4.437 3.713 1.00 0.00 H new ATOM 0 HA TRP A 57 20.246 5.651 4.731 1.00 0.00 H new ATOM 0 HB2 TRP A 57 21.360 4.885 2.006 1.00 0.00 H new ATOM 0 HB3 TRP A 57 19.712 5.452 2.188 1.00 0.00 H new ATOM 0 HD1 TRP A 57 23.062 6.728 1.381 1.00 0.00 H new ATOM 0 HE1 TRP A 57 23.339 9.334 1.691 1.00 0.00 H new ATOM 0 HE3 TRP A 57 18.853 7.455 4.174 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 21.913 11.284 3.181 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 18.474 9.681 5.192 1.00 0.00 H new ATOM 0 HH2 TRP A 57 19.994 11.559 4.721 1.00 0.00 H new ATOM 788 N THR A 58 19.251 3.449 5.420 1.00 0.00 N ATOM 789 CA THR A 58 18.210 2.443 5.765 1.00 0.00 C ATOM 790 C THR A 58 16.756 2.928 5.396 1.00 0.00 C ATOM 791 O THR A 58 16.539 4.142 5.283 1.00 0.00 O ATOM 792 CB THR A 58 18.327 2.107 7.291 1.00 0.00 C ATOM 793 OG1 THR A 58 18.100 3.255 8.103 1.00 0.00 O ATOM 794 CG2 THR A 58 19.665 1.488 7.736 1.00 0.00 C ATOM 0 H THR A 58 19.612 3.946 6.234 1.00 0.00 H new ATOM 0 HA THR A 58 18.383 1.545 5.172 1.00 0.00 H new ATOM 0 HB THR A 58 17.553 1.353 7.431 1.00 0.00 H new ATOM 0 HG1 THR A 58 18.179 3.008 9.048 1.00 0.00 H new ATOM 0 HG21 THR A 58 19.638 1.296 8.809 1.00 0.00 H new ATOM 0 HG22 THR A 58 19.828 0.551 7.203 1.00 0.00 H new ATOM 0 HG23 THR A 58 20.478 2.179 7.512 1.00 0.00 H new ATOM 802 N PRO A 59 15.709 2.061 5.240 1.00 0.00 N ATOM 803 CA PRO A 59 14.310 2.530 4.987 1.00 0.00 C ATOM 804 C PRO A 59 13.642 3.470 6.055 1.00 0.00 C ATOM 805 O PRO A 59 12.818 4.312 5.686 1.00 0.00 O ATOM 806 CB PRO A 59 13.565 1.207 4.720 1.00 0.00 C ATOM 807 CG PRO A 59 14.386 0.114 5.404 1.00 0.00 C ATOM 808 CD PRO A 59 15.835 0.590 5.305 1.00 0.00 C ATOM 0 HA PRO A 59 14.278 3.235 4.156 1.00 0.00 H new ATOM 0 HB2 PRO A 59 12.552 1.242 5.121 1.00 0.00 H new ATOM 0 HB3 PRO A 59 13.478 1.017 3.650 1.00 0.00 H new ATOM 0 HG2 PRO A 59 14.083 -0.016 6.443 1.00 0.00 H new ATOM 0 HG3 PRO A 59 14.252 -0.848 4.910 1.00 0.00 H new ATOM 0 HD2 PRO A 59 16.421 0.275 6.168 1.00 0.00 H new ATOM 0 HD3 PRO A 59 16.330 0.190 4.420 1.00 0.00 H new ATOM 816 N GLU A 60 14.033 3.380 7.341 1.00 0.00 N ATOM 817 CA GLU A 60 13.755 4.431 8.364 1.00 0.00 C ATOM 818 C GLU A 60 14.507 5.792 8.124 1.00 0.00 C ATOM 819 O GLU A 60 13.851 6.836 8.066 1.00 0.00 O ATOM 820 CB GLU A 60 14.018 3.804 9.761 1.00 0.00 C ATOM 821 CG GLU A 60 13.541 4.667 10.956 1.00 0.00 C ATOM 822 CD GLU A 60 13.815 4.028 12.315 1.00 0.00 C ATOM 823 OE1 GLU A 60 14.849 4.194 12.952 1.00 0.00 O ATOM 824 OE2 GLU A 60 12.780 3.251 12.741 1.00 0.00 O ATOM 0 H GLU A 60 14.550 2.582 7.709 1.00 0.00 H new ATOM 0 HA GLU A 60 12.711 4.735 8.287 1.00 0.00 H new ATOM 0 HB2 GLU A 60 13.522 2.835 9.809 1.00 0.00 H new ATOM 0 HB3 GLU A 60 15.087 3.620 9.867 1.00 0.00 H new ATOM 0 HG2 GLU A 60 14.035 5.638 10.913 1.00 0.00 H new ATOM 0 HG3 GLU A 60 12.471 4.850 10.858 1.00 0.00 H new ATOM 831 N ALA A 61 15.850 5.796 7.963 1.00 0.00 N ATOM 832 CA ALA A 61 16.621 7.021 7.596 1.00 0.00 C ATOM 833 C ALA A 61 16.223 7.726 6.255 1.00 0.00 C ATOM 834 O ALA A 61 16.082 8.953 6.230 1.00 0.00 O ATOM 835 CB ALA A 61 18.113 6.638 7.626 1.00 0.00 C ATOM 0 H ALA A 61 16.430 4.965 8.080 1.00 0.00 H new ATOM 0 HA ALA A 61 16.375 7.789 8.329 1.00 0.00 H new ATOM 0 HB1 ALA A 61 18.717 7.506 7.363 1.00 0.00 H new ATOM 0 HB2 ALA A 61 18.382 6.299 8.626 1.00 0.00 H new ATOM 0 HB3 ALA A 61 18.298 5.837 6.910 1.00 0.00 H new ATOM 841 N LEU A 62 15.988 6.962 5.169 1.00 0.00 N ATOM 842 CA LEU A 62 15.390 7.486 3.909 1.00 0.00 C ATOM 843 C LEU A 62 13.980 8.136 4.063 1.00 0.00 C ATOM 844 O LEU A 62 13.820 9.270 3.616 1.00 0.00 O ATOM 845 CB LEU A 62 15.368 6.360 2.837 1.00 0.00 C ATOM 846 CG LEU A 62 16.733 5.960 2.224 1.00 0.00 C ATOM 847 CD1 LEU A 62 16.594 4.625 1.484 1.00 0.00 C ATOM 848 CD2 LEU A 62 17.271 7.028 1.251 1.00 0.00 C ATOM 0 H LEU A 62 16.204 5.966 5.133 1.00 0.00 H new ATOM 0 HA LEU A 62 16.033 8.307 3.592 1.00 0.00 H new ATOM 0 HB2 LEU A 62 14.922 5.472 3.285 1.00 0.00 H new ATOM 0 HB3 LEU A 62 14.709 6.673 2.027 1.00 0.00 H new ATOM 0 HG LEU A 62 17.445 5.869 3.044 1.00 0.00 H new ATOM 0 HD11 LEU A 62 17.556 4.346 1.054 1.00 0.00 H new ATOM 0 HD12 LEU A 62 16.272 3.853 2.183 1.00 0.00 H new ATOM 0 HD13 LEU A 62 15.856 4.725 0.688 1.00 0.00 H new ATOM 0 HD21 LEU A 62 18.230 6.702 0.847 1.00 0.00 H new ATOM 0 HD22 LEU A 62 16.562 7.167 0.435 1.00 0.00 H new ATOM 0 HD23 LEU A 62 17.402 7.971 1.782 1.00 0.00 H new ATOM 860 N GLN A 63 12.973 7.492 4.693 1.00 0.00 N ATOM 861 CA GLN A 63 11.650 8.149 4.939 1.00 0.00 C ATOM 862 C GLN A 63 11.644 9.418 5.860 1.00 0.00 C ATOM 863 O GLN A 63 10.866 10.341 5.609 1.00 0.00 O ATOM 864 CB GLN A 63 10.579 7.093 5.309 1.00 0.00 C ATOM 865 CG GLN A 63 10.593 6.541 6.755 1.00 0.00 C ATOM 866 CD GLN A 63 9.576 5.423 6.984 1.00 0.00 C ATOM 867 OE1 GLN A 63 8.409 5.658 7.276 1.00 0.00 O ATOM 868 NE2 GLN A 63 9.979 4.183 6.836 1.00 0.00 N ATOM 0 H GLN A 63 13.038 6.535 5.039 1.00 0.00 H new ATOM 0 HA GLN A 63 11.378 8.598 3.984 1.00 0.00 H new ATOM 0 HB2 GLN A 63 9.597 7.530 5.125 1.00 0.00 H new ATOM 0 HB3 GLN A 63 10.686 6.251 4.626 1.00 0.00 H new ATOM 0 HG2 GLN A 63 11.591 6.168 6.985 1.00 0.00 H new ATOM 0 HG3 GLN A 63 10.390 7.356 7.450 1.00 0.00 H new ATOM 0 HE21 GLN A 63 10.950 3.988 6.593 1.00 0.00 H new ATOM 0 HE22 GLN A 63 9.321 3.414 6.964 1.00 0.00 H new ATOM 877 N GLU A 64 12.526 9.499 6.873 1.00 0.00 N ATOM 878 CA GLU A 64 12.826 10.773 7.593 1.00 0.00 C ATOM 879 C GLU A 64 13.485 11.879 6.696 1.00 0.00 C ATOM 880 O GLU A 64 12.943 12.985 6.613 1.00 0.00 O ATOM 881 CB GLU A 64 13.669 10.470 8.868 1.00 0.00 C ATOM 882 CG GLU A 64 12.992 9.624 9.978 1.00 0.00 C ATOM 883 CD GLU A 64 11.766 10.262 10.629 1.00 0.00 C ATOM 884 OE1 GLU A 64 12.092 11.050 11.691 1.00 0.00 O ATOM 885 OE2 GLU A 64 10.616 10.090 10.235 1.00 0.00 O ATOM 0 H GLU A 64 13.052 8.697 7.221 1.00 0.00 H new ATOM 0 HA GLU A 64 11.870 11.204 7.889 1.00 0.00 H new ATOM 0 HB2 GLU A 64 14.578 9.955 8.558 1.00 0.00 H new ATOM 0 HB3 GLU A 64 13.974 11.421 9.306 1.00 0.00 H new ATOM 0 HG2 GLU A 64 12.699 8.664 9.552 1.00 0.00 H new ATOM 0 HG3 GLU A 64 13.729 9.417 10.754 1.00 0.00 H new ATOM 892 N PHE A 65 14.610 11.593 6.006 1.00 0.00 N ATOM 893 CA PHE A 65 15.233 12.536 5.026 1.00 0.00 C ATOM 894 C PHE A 65 14.342 12.941 3.800 1.00 0.00 C ATOM 895 O PHE A 65 14.301 14.117 3.442 1.00 0.00 O ATOM 896 CB PHE A 65 16.595 11.913 4.612 1.00 0.00 C ATOM 897 CG PHE A 65 17.513 12.810 3.761 1.00 0.00 C ATOM 898 CD1 PHE A 65 18.230 13.853 4.358 1.00 0.00 C ATOM 899 CD2 PHE A 65 17.655 12.577 2.388 1.00 0.00 C ATOM 900 CE1 PHE A 65 19.057 14.666 3.587 1.00 0.00 C ATOM 901 CE2 PHE A 65 18.496 13.383 1.624 1.00 0.00 C ATOM 902 CZ PHE A 65 19.185 14.436 2.220 1.00 0.00 C ATOM 0 H PHE A 65 15.115 10.712 6.104 1.00 0.00 H new ATOM 0 HA PHE A 65 15.368 13.500 5.516 1.00 0.00 H new ATOM 0 HB2 PHE A 65 17.133 11.630 5.517 1.00 0.00 H new ATOM 0 HB3 PHE A 65 16.399 10.996 4.057 1.00 0.00 H new ATOM 0 HD1 PHE A 65 18.142 14.028 5.420 1.00 0.00 H new ATOM 0 HD2 PHE A 65 17.111 11.770 1.920 1.00 0.00 H new ATOM 0 HE1 PHE A 65 19.600 15.476 4.050 1.00 0.00 H new ATOM 0 HE2 PHE A 65 18.614 13.191 0.568 1.00 0.00 H new ATOM 0 HZ PHE A 65 19.819 15.074 1.622 1.00 0.00 H new ATOM 912 N LEU A 66 13.614 12.005 3.172 1.00 0.00 N ATOM 913 CA LEU A 66 12.591 12.333 2.137 1.00 0.00 C ATOM 914 C LEU A 66 11.277 13.006 2.662 1.00 0.00 C ATOM 915 O LEU A 66 10.618 13.689 1.877 1.00 0.00 O ATOM 916 CB LEU A 66 12.300 11.072 1.275 1.00 0.00 C ATOM 917 CG LEU A 66 13.502 10.412 0.542 1.00 0.00 C ATOM 918 CD1 LEU A 66 13.046 9.150 -0.206 1.00 0.00 C ATOM 919 CD2 LEU A 66 14.216 11.375 -0.419 1.00 0.00 C ATOM 0 H LEU A 66 13.707 11.006 3.356 1.00 0.00 H new ATOM 0 HA LEU A 66 13.033 13.115 1.520 1.00 0.00 H new ATOM 0 HB2 LEU A 66 11.846 10.320 1.921 1.00 0.00 H new ATOM 0 HB3 LEU A 66 11.555 11.341 0.526 1.00 0.00 H new ATOM 0 HG LEU A 66 14.226 10.137 1.309 1.00 0.00 H new ATOM 0 HD11 LEU A 66 13.899 8.700 -0.714 1.00 0.00 H new ATOM 0 HD12 LEU A 66 12.629 8.437 0.505 1.00 0.00 H new ATOM 0 HD13 LEU A 66 12.286 9.417 -0.940 1.00 0.00 H new ATOM 0 HD21 LEU A 66 15.046 10.859 -0.902 1.00 0.00 H new ATOM 0 HD22 LEU A 66 13.513 11.720 -1.177 1.00 0.00 H new ATOM 0 HD23 LEU A 66 14.596 12.231 0.139 1.00 0.00 H new ATOM 931 N THR A 67 10.915 12.898 3.959 1.00 0.00 N ATOM 932 CA THR A 67 9.984 13.857 4.622 1.00 0.00 C ATOM 933 C THR A 67 10.600 15.298 4.712 1.00 0.00 C ATOM 934 O THR A 67 10.046 16.218 4.110 1.00 0.00 O ATOM 935 CB THR A 67 9.533 13.307 6.015 1.00 0.00 C ATOM 936 OG1 THR A 67 9.004 11.991 5.917 1.00 0.00 O ATOM 937 CG2 THR A 67 8.428 14.137 6.676 1.00 0.00 C ATOM 0 H THR A 67 11.250 12.157 4.575 1.00 0.00 H new ATOM 0 HA THR A 67 9.091 13.951 4.004 1.00 0.00 H new ATOM 0 HB THR A 67 10.444 13.343 6.613 1.00 0.00 H new ATOM 0 HG1 THR A 67 9.662 11.405 5.488 1.00 0.00 H new ATOM 0 HG21 THR A 67 8.167 13.695 7.638 1.00 0.00 H new ATOM 0 HG22 THR A 67 8.781 15.157 6.829 1.00 0.00 H new ATOM 0 HG23 THR A 67 7.548 14.150 6.032 1.00 0.00 H new ATOM 945 N ASN A 68 11.720 15.488 5.443 1.00 0.00 N ATOM 946 CA ASN A 68 12.364 16.818 5.618 1.00 0.00 C ATOM 947 C ASN A 68 13.919 16.691 5.418 1.00 0.00 C ATOM 948 O ASN A 68 14.599 16.259 6.360 1.00 0.00 O ATOM 949 CB ASN A 68 12.049 17.367 7.036 1.00 0.00 C ATOM 950 CG ASN A 68 10.644 17.904 7.322 1.00 0.00 C ATOM 951 OD1 ASN A 68 9.844 18.225 6.452 1.00 0.00 O ATOM 952 ND2 ASN A 68 10.330 18.090 8.581 1.00 0.00 N ATOM 0 H ASN A 68 12.204 14.732 5.927 1.00 0.00 H new ATOM 0 HA ASN A 68 11.971 17.510 4.873 1.00 0.00 H new ATOM 0 HB2 ASN A 68 12.250 16.569 7.751 1.00 0.00 H new ATOM 0 HB3 ASN A 68 12.758 18.168 7.245 1.00 0.00 H new ATOM 0 HD21 ASN A 68 9.428 18.498 8.827 1.00 0.00 H new ATOM 0 HD22 ASN A 68 10.988 17.827 9.315 1.00 0.00 H new ATOM 959 N PRO A 69 14.550 17.075 4.268 1.00 0.00 N ATOM 960 CA PRO A 69 16.010 16.853 4.057 1.00 0.00 C ATOM 961 C PRO A 69 16.966 17.817 4.828 1.00 0.00 C ATOM 962 O PRO A 69 17.854 17.347 5.544 1.00 0.00 O ATOM 963 CB PRO A 69 16.133 16.854 2.523 1.00 0.00 C ATOM 964 CG PRO A 69 14.955 17.686 2.016 1.00 0.00 C ATOM 965 CD PRO A 69 13.835 17.494 3.043 1.00 0.00 C ATOM 0 HA PRO A 69 16.359 15.919 4.497 1.00 0.00 H new ATOM 0 HB2 PRO A 69 17.083 17.285 2.206 1.00 0.00 H new ATOM 0 HB3 PRO A 69 16.096 15.839 2.126 1.00 0.00 H new ATOM 0 HG2 PRO A 69 15.228 18.737 1.928 1.00 0.00 H new ATOM 0 HG3 PRO A 69 14.639 17.355 1.027 1.00 0.00 H new ATOM 0 HD2 PRO A 69 13.275 18.416 3.202 1.00 0.00 H new ATOM 0 HD3 PRO A 69 13.120 16.738 2.719 1.00 0.00 H new ATOM 973 N LYS A 70 16.750 19.140 4.731 1.00 0.00 N ATOM 974 CA LYS A 70 17.477 20.154 5.556 1.00 0.00 C ATOM 975 C LYS A 70 17.146 20.208 7.091 1.00 0.00 C ATOM 976 O LYS A 70 17.981 20.705 7.849 1.00 0.00 O ATOM 977 CB LYS A 70 17.321 21.553 4.901 1.00 0.00 C ATOM 978 CG LYS A 70 18.123 21.765 3.594 1.00 0.00 C ATOM 979 CD LYS A 70 17.954 23.198 3.049 1.00 0.00 C ATOM 980 CE LYS A 70 18.765 23.507 1.779 1.00 0.00 C ATOM 981 NZ LYS A 70 20.203 23.689 2.065 1.00 0.00 N ATOM 0 H LYS A 70 16.073 19.548 4.086 1.00 0.00 H new ATOM 0 HA LYS A 70 18.514 19.819 5.551 1.00 0.00 H new ATOM 0 HB2 LYS A 70 16.265 21.722 4.691 1.00 0.00 H new ATOM 0 HB3 LYS A 70 17.628 22.310 5.623 1.00 0.00 H new ATOM 0 HG2 LYS A 70 19.179 21.568 3.779 1.00 0.00 H new ATOM 0 HG3 LYS A 70 17.791 21.048 2.843 1.00 0.00 H new ATOM 0 HD2 LYS A 70 16.898 23.369 2.839 1.00 0.00 H new ATOM 0 HD3 LYS A 70 18.243 23.904 3.828 1.00 0.00 H new ATOM 0 HE2 LYS A 70 18.639 22.695 1.063 1.00 0.00 H new ATOM 0 HE3 LYS A 70 18.373 24.409 1.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 20.590 24.428 1.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 20.326 23.972 3.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 20.707 22.795 1.895 1.00 0.00 H new ATOM 994 N ALA A 71 15.995 19.699 7.580 1.00 0.00 N ATOM 995 CA ALA A 71 15.821 19.403 9.035 1.00 0.00 C ATOM 996 C ALA A 71 16.641 18.175 9.562 1.00 0.00 C ATOM 997 O ALA A 71 17.227 18.257 10.643 1.00 0.00 O ATOM 998 CB ALA A 71 14.320 19.253 9.348 1.00 0.00 C ATOM 0 H ALA A 71 15.179 19.484 7.007 1.00 0.00 H new ATOM 0 HA ALA A 71 16.238 20.253 9.575 1.00 0.00 H new ATOM 0 HB1 ALA A 71 14.189 19.037 10.408 1.00 0.00 H new ATOM 0 HB2 ALA A 71 13.802 20.180 9.100 1.00 0.00 H new ATOM 0 HB3 ALA A 71 13.905 18.436 8.758 1.00 0.00 H new ATOM 1004 N VAL A 72 16.693 17.057 8.808 1.00 0.00 N ATOM 1005 CA VAL A 72 17.524 15.863 9.158 1.00 0.00 C ATOM 1006 C VAL A 72 19.061 16.126 8.978 1.00 0.00 C ATOM 1007 O VAL A 72 19.808 15.954 9.945 1.00 0.00 O ATOM 1008 CB VAL A 72 16.970 14.598 8.409 1.00 0.00 C ATOM 1009 CG1 VAL A 72 17.845 13.330 8.568 1.00 0.00 C ATOM 1010 CG2 VAL A 72 15.536 14.218 8.855 1.00 0.00 C ATOM 0 H VAL A 72 16.166 16.947 7.941 1.00 0.00 H new ATOM 0 HA VAL A 72 17.432 15.656 10.224 1.00 0.00 H new ATOM 0 HB VAL A 72 16.980 14.910 7.365 1.00 0.00 H new ATOM 0 HG11 VAL A 72 17.391 12.504 8.020 1.00 0.00 H new ATOM 0 HG12 VAL A 72 18.842 13.524 8.172 1.00 0.00 H new ATOM 0 HG13 VAL A 72 17.918 13.069 9.624 1.00 0.00 H new ATOM 0 HG21 VAL A 72 15.205 13.337 8.305 1.00 0.00 H new ATOM 0 HG22 VAL A 72 15.533 14.001 9.923 1.00 0.00 H new ATOM 0 HG23 VAL A 72 14.860 15.048 8.652 1.00 0.00 H new ATOM 1020 N VAL A 73 19.539 16.525 7.780 1.00 0.00 N ATOM 1021 CA VAL A 73 20.959 16.947 7.583 1.00 0.00 C ATOM 1022 C VAL A 73 20.969 18.506 7.440 1.00 0.00 C ATOM 1023 O VAL A 73 20.752 19.045 6.349 1.00 0.00 O ATOM 1024 CB VAL A 73 21.644 16.209 6.381 1.00 0.00 C ATOM 1025 CG1 VAL A 73 23.130 16.613 6.223 1.00 0.00 C ATOM 1026 CG2 VAL A 73 21.610 14.664 6.466 1.00 0.00 C ATOM 0 H VAL A 73 18.972 16.567 6.933 1.00 0.00 H new ATOM 0 HA VAL A 73 21.561 16.659 8.445 1.00 0.00 H new ATOM 0 HB VAL A 73 21.048 16.526 5.525 1.00 0.00 H new ATOM 0 HG11 VAL A 73 23.565 16.078 5.379 1.00 0.00 H new ATOM 0 HG12 VAL A 73 23.198 17.686 6.046 1.00 0.00 H new ATOM 0 HG13 VAL A 73 23.675 16.359 7.132 1.00 0.00 H new ATOM 0 HG21 VAL A 73 22.107 14.241 5.593 1.00 0.00 H new ATOM 0 HG22 VAL A 73 22.125 14.338 7.370 1.00 0.00 H new ATOM 0 HG23 VAL A 73 20.575 14.324 6.495 1.00 0.00 H new ATOM 1036 N LYS A 74 21.254 19.233 8.537 1.00 0.00 N ATOM 1037 CA LYS A 74 21.261 20.725 8.537 1.00 0.00 C ATOM 1038 C LYS A 74 22.503 21.303 7.781 1.00 0.00 C ATOM 1039 O LYS A 74 23.630 21.245 8.279 1.00 0.00 O ATOM 1040 CB LYS A 74 21.132 21.194 10.011 1.00 0.00 C ATOM 1041 CG LYS A 74 20.855 22.706 10.178 1.00 0.00 C ATOM 1042 CD LYS A 74 20.712 23.117 11.656 1.00 0.00 C ATOM 1043 CE LYS A 74 20.428 24.619 11.812 1.00 0.00 C ATOM 1044 NZ LYS A 74 20.294 24.965 13.239 1.00 0.00 N ATOM 0 H LYS A 74 21.484 18.819 9.440 1.00 0.00 H new ATOM 0 HA LYS A 74 20.413 21.119 7.977 1.00 0.00 H new ATOM 0 HB2 LYS A 74 20.327 20.635 10.488 1.00 0.00 H new ATOM 0 HB3 LYS A 74 22.051 20.945 10.541 1.00 0.00 H new ATOM 0 HG2 LYS A 74 21.666 23.274 9.723 1.00 0.00 H new ATOM 0 HG3 LYS A 74 19.943 22.967 9.641 1.00 0.00 H new ATOM 0 HD2 LYS A 74 19.905 22.546 12.114 1.00 0.00 H new ATOM 0 HD3 LYS A 74 21.626 22.863 12.193 1.00 0.00 H new ATOM 0 HE2 LYS A 74 21.236 25.198 11.364 1.00 0.00 H new ATOM 0 HE3 LYS A 74 19.514 24.881 11.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 20.102 25.983 13.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 19.509 24.425 13.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 21.177 24.732 13.737 1.00 0.00 H new ATOM 1057 N GLY A 75 22.283 21.818 6.557 1.00 0.00 N ATOM 1058 CA GLY A 75 23.390 22.128 5.605 1.00 0.00 C ATOM 1059 C GLY A 75 23.674 21.133 4.448 1.00 0.00 C ATOM 1060 O GLY A 75 24.739 21.228 3.829 1.00 0.00 O ATOM 0 H GLY A 75 21.353 22.031 6.195 1.00 0.00 H new ATOM 0 HA2 GLY A 75 23.182 23.102 5.161 1.00 0.00 H new ATOM 0 HA3 GLY A 75 24.307 22.231 6.185 1.00 0.00 H new ATOM 1064 N THR A 76 22.748 20.221 4.099 1.00 0.00 N ATOM 1065 CA THR A 76 22.793 19.485 2.803 1.00 0.00 C ATOM 1066 C THR A 76 22.502 20.424 1.592 1.00 0.00 C ATOM 1067 O THR A 76 21.551 21.211 1.606 1.00 0.00 O ATOM 1068 CB THR A 76 21.862 18.233 2.817 1.00 0.00 C ATOM 1069 OG1 THR A 76 22.034 17.477 1.621 1.00 0.00 O ATOM 1070 CG2 THR A 76 20.346 18.481 2.945 1.00 0.00 C ATOM 0 H THR A 76 21.956 19.970 4.690 1.00 0.00 H new ATOM 0 HA THR A 76 23.811 19.118 2.676 1.00 0.00 H new ATOM 0 HB THR A 76 22.178 17.719 3.725 1.00 0.00 H new ATOM 0 HG1 THR A 76 21.446 16.693 1.642 1.00 0.00 H new ATOM 0 HG21 THR A 76 19.820 17.527 2.942 1.00 0.00 H new ATOM 0 HG22 THR A 76 20.141 19.005 3.878 1.00 0.00 H new ATOM 0 HG23 THR A 76 20.004 19.087 2.106 1.00 0.00 H new ATOM 1078 N LYS A 77 23.287 20.288 0.515 1.00 0.00 N ATOM 1079 CA LYS A 77 22.970 20.945 -0.794 1.00 0.00 C ATOM 1080 C LYS A 77 21.794 20.338 -1.648 1.00 0.00 C ATOM 1081 O LYS A 77 21.564 20.791 -2.773 1.00 0.00 O ATOM 1082 CB LYS A 77 24.293 21.129 -1.588 1.00 0.00 C ATOM 1083 CG LYS A 77 25.033 19.845 -2.027 1.00 0.00 C ATOM 1084 CD LYS A 77 26.321 20.144 -2.811 1.00 0.00 C ATOM 1085 CE LYS A 77 27.124 18.866 -3.072 1.00 0.00 C ATOM 1086 NZ LYS A 77 28.364 19.183 -3.801 1.00 0.00 N ATOM 0 H LYS A 77 24.145 19.736 0.507 1.00 0.00 H new ATOM 0 HA LYS A 77 22.536 21.914 -0.547 1.00 0.00 H new ATOM 0 HB2 LYS A 77 24.074 21.715 -2.480 1.00 0.00 H new ATOM 0 HB3 LYS A 77 24.975 21.721 -0.977 1.00 0.00 H new ATOM 0 HG2 LYS A 77 25.278 19.252 -1.146 1.00 0.00 H new ATOM 0 HG3 LYS A 77 24.369 19.240 -2.644 1.00 0.00 H new ATOM 0 HD2 LYS A 77 26.070 20.618 -3.760 1.00 0.00 H new ATOM 0 HD3 LYS A 77 26.933 20.853 -2.253 1.00 0.00 H new ATOM 0 HE2 LYS A 77 27.364 18.379 -2.127 1.00 0.00 H new ATOM 0 HE3 LYS A 77 26.524 18.163 -3.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 29.020 18.378 -3.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 28.142 19.370 -4.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 28.808 20.025 -3.382 1.00 0.00 H new ATOM 1099 N MET A 78 21.007 19.381 -1.115 1.00 0.00 N ATOM 1100 CA MET A 78 19.763 18.889 -1.754 1.00 0.00 C ATOM 1101 C MET A 78 18.605 19.932 -1.621 1.00 0.00 C ATOM 1102 O MET A 78 17.924 20.012 -0.592 1.00 0.00 O ATOM 1103 CB MET A 78 19.451 17.488 -1.152 1.00 0.00 C ATOM 1104 CG MET A 78 18.153 16.849 -1.687 1.00 0.00 C ATOM 1105 SD MET A 78 18.264 15.025 -1.894 1.00 0.00 S ATOM 1106 CE MET A 78 16.688 14.659 -1.033 1.00 0.00 C ATOM 0 H MET A 78 21.215 18.925 -0.227 1.00 0.00 H new ATOM 0 HA MET A 78 19.884 18.771 -2.831 1.00 0.00 H new ATOM 0 HB2 MET A 78 20.286 16.820 -1.362 1.00 0.00 H new ATOM 0 HB3 MET A 78 19.379 17.578 -0.068 1.00 0.00 H new ATOM 0 HG2 MET A 78 17.335 17.080 -1.004 1.00 0.00 H new ATOM 0 HG3 MET A 78 17.904 17.301 -2.647 1.00 0.00 H new ATOM 0 HE1 MET A 78 16.529 13.581 -1.008 1.00 0.00 H new ATOM 0 HE2 MET A 78 16.732 15.043 -0.014 1.00 0.00 H new ATOM 0 HE3 MET A 78 15.864 15.135 -1.565 1.00 0.00 H new ATOM 1116 N ALA A 79 18.367 20.707 -2.696 1.00 0.00 N ATOM 1117 CA ALA A 79 17.246 21.683 -2.754 1.00 0.00 C ATOM 1118 C ALA A 79 15.864 21.022 -3.087 1.00 0.00 C ATOM 1119 O ALA A 79 15.289 21.190 -4.167 1.00 0.00 O ATOM 1120 CB ALA A 79 17.686 22.780 -3.744 1.00 0.00 C ATOM 0 H ALA A 79 18.935 20.681 -3.543 1.00 0.00 H new ATOM 0 HA ALA A 79 17.057 22.123 -1.775 1.00 0.00 H new ATOM 0 HB1 ALA A 79 16.900 23.530 -3.829 1.00 0.00 H new ATOM 0 HB2 ALA A 79 18.599 23.252 -3.382 1.00 0.00 H new ATOM 0 HB3 ALA A 79 17.871 22.335 -4.722 1.00 0.00 H new ATOM 1126 N PHE A 80 15.338 20.269 -2.109 1.00 0.00 N ATOM 1127 CA PHE A 80 14.037 19.561 -2.206 1.00 0.00 C ATOM 1128 C PHE A 80 13.192 19.890 -0.934 1.00 0.00 C ATOM 1129 O PHE A 80 13.686 19.817 0.195 1.00 0.00 O ATOM 1130 CB PHE A 80 14.335 18.041 -2.382 1.00 0.00 C ATOM 1131 CG PHE A 80 13.101 17.144 -2.584 1.00 0.00 C ATOM 1132 CD1 PHE A 80 12.364 17.209 -3.772 1.00 0.00 C ATOM 1133 CD2 PHE A 80 12.671 16.296 -1.557 1.00 0.00 C ATOM 1134 CE1 PHE A 80 11.198 16.462 -3.918 1.00 0.00 C ATOM 1135 CE2 PHE A 80 11.506 15.547 -1.706 1.00 0.00 C ATOM 1136 CZ PHE A 80 10.763 15.643 -2.880 1.00 0.00 C ATOM 0 H PHE A 80 15.805 20.128 -1.213 1.00 0.00 H new ATOM 0 HA PHE A 80 13.447 19.883 -3.064 1.00 0.00 H new ATOM 0 HB2 PHE A 80 14.998 17.915 -3.238 1.00 0.00 H new ATOM 0 HB3 PHE A 80 14.878 17.691 -1.504 1.00 0.00 H new ATOM 0 HD1 PHE A 80 12.701 17.842 -4.580 1.00 0.00 H new ATOM 0 HD2 PHE A 80 13.245 16.222 -0.645 1.00 0.00 H new ATOM 0 HE1 PHE A 80 10.632 16.518 -4.836 1.00 0.00 H new ATOM 0 HE2 PHE A 80 11.179 14.892 -0.912 1.00 0.00 H new ATOM 0 HZ PHE A 80 9.847 15.081 -2.985 1.00 0.00 H new ATOM 1146 N ALA A 81 11.901 20.220 -1.111 1.00 0.00 N ATOM 1147 CA ALA A 81 10.986 20.490 0.031 1.00 0.00 C ATOM 1148 C ALA A 81 10.605 19.239 0.893 1.00 0.00 C ATOM 1149 O ALA A 81 10.826 19.252 2.107 1.00 0.00 O ATOM 1150 CB ALA A 81 9.765 21.244 -0.534 1.00 0.00 C ATOM 0 H ALA A 81 11.461 20.308 -2.027 1.00 0.00 H new ATOM 0 HA ALA A 81 11.512 21.105 0.761 1.00 0.00 H new ATOM 0 HB1 ALA A 81 9.066 21.462 0.274 1.00 0.00 H new ATOM 0 HB2 ALA A 81 10.093 22.177 -0.992 1.00 0.00 H new ATOM 0 HB3 ALA A 81 9.271 20.626 -1.284 1.00 0.00 H new ATOM 1156 N GLY A 82 10.041 18.181 0.284 1.00 0.00 N ATOM 1157 CA GLY A 82 9.589 16.981 1.029 1.00 0.00 C ATOM 1158 C GLY A 82 8.481 16.166 0.327 1.00 0.00 C ATOM 1159 O GLY A 82 7.660 16.694 -0.428 1.00 0.00 O ATOM 0 H GLY A 82 9.885 18.128 -0.723 1.00 0.00 H new ATOM 0 HA2 GLY A 82 10.447 16.331 1.199 1.00 0.00 H new ATOM 0 HA3 GLY A 82 9.227 17.293 2.008 1.00 0.00 H new ATOM 1163 N LEU A 83 8.425 14.868 0.648 1.00 0.00 N ATOM 1164 CA LEU A 83 7.284 13.984 0.287 1.00 0.00 C ATOM 1165 C LEU A 83 6.333 13.847 1.532 1.00 0.00 C ATOM 1166 O LEU A 83 6.633 13.016 2.401 1.00 0.00 O ATOM 1167 CB LEU A 83 7.816 12.595 -0.178 1.00 0.00 C ATOM 1168 CG LEU A 83 8.594 12.500 -1.515 1.00 0.00 C ATOM 1169 CD1 LEU A 83 9.105 11.065 -1.727 1.00 0.00 C ATOM 1170 CD2 LEU A 83 7.751 12.908 -2.735 1.00 0.00 C ATOM 0 H LEU A 83 9.163 14.391 1.165 1.00 0.00 H new ATOM 0 HA LEU A 83 6.719 14.415 -0.539 1.00 0.00 H new ATOM 0 HB2 LEU A 83 8.465 12.210 0.609 1.00 0.00 H new ATOM 0 HB3 LEU A 83 6.962 11.921 -0.245 1.00 0.00 H new ATOM 0 HG LEU A 83 9.424 13.202 -1.436 1.00 0.00 H new ATOM 0 HD11 LEU A 83 9.650 11.008 -2.669 1.00 0.00 H new ATOM 0 HD12 LEU A 83 9.768 10.790 -0.907 1.00 0.00 H new ATOM 0 HD13 LEU A 83 8.259 10.378 -1.756 1.00 0.00 H new ATOM 0 HD21 LEU A 83 8.353 12.820 -3.639 1.00 0.00 H new ATOM 0 HD22 LEU A 83 6.882 12.254 -2.812 1.00 0.00 H new ATOM 0 HD23 LEU A 83 7.419 13.940 -2.619 1.00 0.00 H new ATOM 1182 N PRO A 84 5.192 14.590 1.687 1.00 0.00 N ATOM 1183 CA PRO A 84 4.290 14.449 2.873 1.00 0.00 C ATOM 1184 C PRO A 84 3.478 13.114 3.007 1.00 0.00 C ATOM 1185 O PRO A 84 3.286 12.628 4.126 1.00 0.00 O ATOM 1186 CB PRO A 84 3.411 15.711 2.763 1.00 0.00 C ATOM 1187 CG PRO A 84 3.386 16.058 1.273 1.00 0.00 C ATOM 1188 CD PRO A 84 4.782 15.682 0.777 1.00 0.00 C ATOM 0 HA PRO A 84 4.865 14.376 3.796 1.00 0.00 H new ATOM 0 HB2 PRO A 84 2.406 15.524 3.140 1.00 0.00 H new ATOM 0 HB3 PRO A 84 3.824 16.531 3.351 1.00 0.00 H new ATOM 0 HG2 PRO A 84 2.612 15.499 0.747 1.00 0.00 H new ATOM 0 HG3 PRO A 84 3.178 17.116 1.114 1.00 0.00 H new ATOM 0 HD2 PRO A 84 4.763 15.352 -0.262 1.00 0.00 H new ATOM 0 HD3 PRO A 84 5.468 16.527 0.831 1.00 0.00 H new ATOM 1196 N LYS A 85 3.058 12.502 1.888 1.00 0.00 N ATOM 1197 CA LYS A 85 2.381 11.179 1.869 1.00 0.00 C ATOM 1198 C LYS A 85 3.339 9.988 2.201 1.00 0.00 C ATOM 1199 O LYS A 85 4.351 9.773 1.522 1.00 0.00 O ATOM 1200 CB LYS A 85 1.754 10.996 0.454 1.00 0.00 C ATOM 1201 CG LYS A 85 0.422 11.751 0.203 1.00 0.00 C ATOM 1202 CD LYS A 85 -0.856 10.889 0.297 1.00 0.00 C ATOM 1203 CE LYS A 85 -1.144 10.293 1.686 1.00 0.00 C ATOM 1204 NZ LYS A 85 -2.402 9.522 1.641 1.00 0.00 N ATOM 0 H LYS A 85 3.176 12.908 0.960 1.00 0.00 H new ATOM 0 HA LYS A 85 1.620 11.166 2.649 1.00 0.00 H new ATOM 0 HB2 LYS A 85 2.481 11.323 -0.290 1.00 0.00 H new ATOM 0 HB3 LYS A 85 1.584 9.932 0.287 1.00 0.00 H new ATOM 0 HG2 LYS A 85 0.344 12.565 0.923 1.00 0.00 H new ATOM 0 HG3 LYS A 85 0.462 12.204 -0.787 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -1.709 11.498 -0.003 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -0.778 10.073 -0.422 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -0.321 9.648 1.994 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -1.220 11.089 2.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -2.596 9.119 2.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -3.184 10.149 1.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -2.313 8.753 0.946 1.00 0.00 H new ATOM 1217 N ILE A 86 2.968 9.161 3.200 1.00 0.00 N ATOM 1218 CA ILE A 86 3.630 7.846 3.468 1.00 0.00 C ATOM 1219 C ILE A 86 3.651 6.843 2.261 1.00 0.00 C ATOM 1220 O ILE A 86 4.705 6.264 1.992 1.00 0.00 O ATOM 1221 CB ILE A 86 3.093 7.235 4.815 1.00 0.00 C ATOM 1222 CG1 ILE A 86 3.898 5.997 5.303 1.00 0.00 C ATOM 1223 CG2 ILE A 86 1.588 6.846 4.789 1.00 0.00 C ATOM 1224 CD1 ILE A 86 5.356 6.254 5.719 1.00 0.00 C ATOM 0 H ILE A 86 2.208 9.374 3.845 1.00 0.00 H new ATOM 0 HA ILE A 86 4.693 8.051 3.595 1.00 0.00 H new ATOM 0 HB ILE A 86 3.230 8.059 5.515 1.00 0.00 H new ATOM 0 HG12 ILE A 86 3.372 5.560 6.152 1.00 0.00 H new ATOM 0 HG13 ILE A 86 3.895 5.252 4.508 1.00 0.00 H new ATOM 0 HG21 ILE A 86 1.302 6.433 5.757 1.00 0.00 H new ATOM 0 HG22 ILE A 86 0.987 7.731 4.580 1.00 0.00 H new ATOM 0 HG23 ILE A 86 1.418 6.100 4.012 1.00 0.00 H new ATOM 0 HD11 ILE A 86 5.813 5.318 6.040 1.00 0.00 H new ATOM 0 HD12 ILE A 86 5.911 6.657 4.872 1.00 0.00 H new ATOM 0 HD13 ILE A 86 5.379 6.969 6.541 1.00 0.00 H new ATOM 1236 N GLU A 87 2.539 6.682 1.515 1.00 0.00 N ATOM 1237 CA GLU A 87 2.513 5.919 0.233 1.00 0.00 C ATOM 1238 C GLU A 87 3.551 6.356 -0.856 1.00 0.00 C ATOM 1239 O GLU A 87 4.241 5.490 -1.386 1.00 0.00 O ATOM 1240 CB GLU A 87 1.050 5.832 -0.288 1.00 0.00 C ATOM 1241 CG GLU A 87 0.381 7.151 -0.760 1.00 0.00 C ATOM 1242 CD GLU A 87 -1.091 7.010 -1.129 1.00 0.00 C ATOM 1243 OE1 GLU A 87 -1.268 6.507 -2.382 1.00 0.00 O ATOM 1244 OE2 GLU A 87 -2.013 7.323 -0.381 1.00 0.00 O ATOM 0 H GLU A 87 1.633 7.072 1.776 1.00 0.00 H new ATOM 0 HA GLU A 87 2.869 4.916 0.466 1.00 0.00 H new ATOM 0 HB2 GLU A 87 1.030 5.128 -1.120 1.00 0.00 H new ATOM 0 HB3 GLU A 87 0.435 5.407 0.505 1.00 0.00 H new ATOM 0 HG2 GLU A 87 0.476 7.896 0.030 1.00 0.00 H new ATOM 0 HG3 GLU A 87 0.925 7.532 -1.624 1.00 0.00 H new ATOM 1251 N ASP A 88 3.740 7.663 -1.135 1.00 0.00 N ATOM 1252 CA ASP A 88 4.867 8.150 -1.994 1.00 0.00 C ATOM 1253 C ASP A 88 6.301 7.775 -1.488 1.00 0.00 C ATOM 1254 O ASP A 88 7.116 7.298 -2.281 1.00 0.00 O ATOM 1255 CB ASP A 88 4.749 9.683 -2.222 1.00 0.00 C ATOM 1256 CG ASP A 88 3.558 10.162 -3.056 1.00 0.00 C ATOM 1257 OD1 ASP A 88 2.928 9.459 -3.840 1.00 0.00 O ATOM 1258 OD2 ASP A 88 3.284 11.478 -2.842 1.00 0.00 O ATOM 0 H ASP A 88 3.135 8.406 -0.785 1.00 0.00 H new ATOM 0 HA ASP A 88 4.757 7.618 -2.939 1.00 0.00 H new ATOM 0 HB2 ASP A 88 4.701 10.170 -1.248 1.00 0.00 H new ATOM 0 HB3 ASP A 88 5.664 10.027 -2.705 1.00 0.00 H new ATOM 1263 N ARG A 89 6.591 7.946 -0.184 1.00 0.00 N ATOM 1264 CA ARG A 89 7.854 7.459 0.446 1.00 0.00 C ATOM 1265 C ARG A 89 8.034 5.901 0.410 1.00 0.00 C ATOM 1266 O ARG A 89 9.043 5.425 -0.113 1.00 0.00 O ATOM 1267 CB ARG A 89 7.982 8.029 1.889 1.00 0.00 C ATOM 1268 CG ARG A 89 7.916 9.575 2.019 1.00 0.00 C ATOM 1269 CD ARG A 89 8.340 10.163 3.378 1.00 0.00 C ATOM 1270 NE ARG A 89 7.521 9.677 4.530 1.00 0.00 N ATOM 1271 CZ ARG A 89 6.447 10.287 5.033 1.00 0.00 C ATOM 1272 NH1 ARG A 89 5.901 11.352 4.514 1.00 0.00 N ATOM 1273 NH2 ARG A 89 5.905 9.795 6.107 1.00 0.00 N ATOM 0 H ARG A 89 5.967 8.422 0.467 1.00 0.00 H new ATOM 0 HA ARG A 89 8.674 7.839 -0.163 1.00 0.00 H new ATOM 0 HB2 ARG A 89 7.188 7.599 2.500 1.00 0.00 H new ATOM 0 HB3 ARG A 89 8.928 7.689 2.310 1.00 0.00 H new ATOM 0 HG2 ARG A 89 8.548 10.011 1.245 1.00 0.00 H new ATOM 0 HG3 ARG A 89 6.894 9.893 1.812 1.00 0.00 H new ATOM 0 HD2 ARG A 89 9.386 9.916 3.559 1.00 0.00 H new ATOM 0 HD3 ARG A 89 8.272 11.250 3.330 1.00 0.00 H new ATOM 0 HE ARG A 89 7.809 8.803 4.970 1.00 0.00 H new ATOM 0 HH11 ARG A 89 6.296 11.769 3.671 1.00 0.00 H new ATOM 0 HH12 ARG A 89 5.079 11.768 4.951 1.00 0.00 H new ATOM 0 HH21 ARG A 89 6.302 8.963 6.543 1.00 0.00 H new ATOM 0 HH22 ARG A 89 5.083 10.241 6.514 1.00 0.00 H new ATOM 1287 N ALA A 90 7.059 5.117 0.913 1.00 0.00 N ATOM 1288 CA ALA A 90 7.052 3.633 0.806 1.00 0.00 C ATOM 1289 C ALA A 90 7.091 3.019 -0.632 1.00 0.00 C ATOM 1290 O ALA A 90 7.890 2.111 -0.872 1.00 0.00 O ATOM 1291 CB ALA A 90 5.816 3.166 1.596 1.00 0.00 C ATOM 0 H ALA A 90 6.249 5.491 1.408 1.00 0.00 H new ATOM 0 HA ALA A 90 7.994 3.266 1.213 1.00 0.00 H new ATOM 0 HB1 ALA A 90 5.750 2.079 1.558 1.00 0.00 H new ATOM 0 HB2 ALA A 90 5.904 3.489 2.633 1.00 0.00 H new ATOM 0 HB3 ALA A 90 4.918 3.600 1.156 1.00 0.00 H new ATOM 1297 N ASN A 91 6.285 3.518 -1.592 1.00 0.00 N ATOM 1298 CA ASN A 91 6.380 3.130 -3.031 1.00 0.00 C ATOM 1299 C ASN A 91 7.772 3.429 -3.691 1.00 0.00 C ATOM 1300 O ASN A 91 8.367 2.535 -4.299 1.00 0.00 O ATOM 1301 CB ASN A 91 5.222 3.793 -3.834 1.00 0.00 C ATOM 1302 CG ASN A 91 3.776 3.387 -3.507 1.00 0.00 C ATOM 1303 OD1 ASN A 91 3.478 2.435 -2.795 1.00 0.00 O ATOM 1304 ND2 ASN A 91 2.812 4.104 -4.030 1.00 0.00 N ATOM 0 H ASN A 91 5.550 4.199 -1.402 1.00 0.00 H new ATOM 0 HA ASN A 91 6.281 2.045 -3.065 1.00 0.00 H new ATOM 0 HB2 ASN A 91 5.302 4.872 -3.701 1.00 0.00 H new ATOM 0 HB3 ASN A 91 5.393 3.589 -4.891 1.00 0.00 H new ATOM 0 HD21 ASN A 91 1.839 3.865 -3.841 1.00 0.00 H new ATOM 0 HD22 ASN A 91 3.035 4.901 -4.626 1.00 0.00 H new ATOM 1311 N LEU A 92 8.308 4.658 -3.541 1.00 0.00 N ATOM 1312 CA LEU A 92 9.706 4.999 -3.935 1.00 0.00 C ATOM 1313 C LEU A 92 10.841 4.165 -3.245 1.00 0.00 C ATOM 1314 O LEU A 92 11.747 3.700 -3.940 1.00 0.00 O ATOM 1315 CB LEU A 92 9.850 6.533 -3.743 1.00 0.00 C ATOM 1316 CG LEU A 92 11.171 7.187 -4.220 1.00 0.00 C ATOM 1317 CD1 LEU A 92 11.397 7.041 -5.732 1.00 0.00 C ATOM 1318 CD2 LEU A 92 11.165 8.677 -3.858 1.00 0.00 C ATOM 0 H LEU A 92 7.793 5.445 -3.146 1.00 0.00 H new ATOM 0 HA LEU A 92 9.858 4.713 -4.976 1.00 0.00 H new ATOM 0 HB2 LEU A 92 9.025 7.017 -4.266 1.00 0.00 H new ATOM 0 HB3 LEU A 92 9.728 6.753 -2.682 1.00 0.00 H new ATOM 0 HG LEU A 92 11.984 6.666 -3.715 1.00 0.00 H new ATOM 0 HD11 LEU A 92 12.338 7.518 -6.007 1.00 0.00 H new ATOM 0 HD12 LEU A 92 11.437 5.984 -5.994 1.00 0.00 H new ATOM 0 HD13 LEU A 92 10.577 7.517 -6.270 1.00 0.00 H new ATOM 0 HD21 LEU A 92 12.095 9.137 -4.194 1.00 0.00 H new ATOM 0 HD22 LEU A 92 10.322 9.166 -4.345 1.00 0.00 H new ATOM 0 HD23 LEU A 92 11.075 8.789 -2.777 1.00 0.00 H new ATOM 1330 N ILE A 93 10.792 3.937 -1.920 1.00 0.00 N ATOM 1331 CA ILE A 93 11.737 3.018 -1.204 1.00 0.00 C ATOM 1332 C ILE A 93 11.568 1.500 -1.601 1.00 0.00 C ATOM 1333 O ILE A 93 12.578 0.795 -1.671 1.00 0.00 O ATOM 1334 CB ILE A 93 11.709 3.328 0.339 1.00 0.00 C ATOM 1335 CG1 ILE A 93 12.180 4.780 0.682 1.00 0.00 C ATOM 1336 CG2 ILE A 93 12.553 2.342 1.189 1.00 0.00 C ATOM 1337 CD1 ILE A 93 11.739 5.307 2.058 1.00 0.00 C ATOM 0 H ILE A 93 10.106 4.375 -1.306 1.00 0.00 H new ATOM 0 HA ILE A 93 12.753 3.223 -1.542 1.00 0.00 H new ATOM 0 HB ILE A 93 10.657 3.211 0.599 1.00 0.00 H new ATOM 0 HG12 ILE A 93 13.268 4.813 0.631 1.00 0.00 H new ATOM 0 HG13 ILE A 93 11.804 5.457 -0.085 1.00 0.00 H new ATOM 0 HG21 ILE A 93 12.485 2.619 2.241 1.00 0.00 H new ATOM 0 HG22 ILE A 93 12.173 1.329 1.055 1.00 0.00 H new ATOM 0 HG23 ILE A 93 13.594 2.385 0.869 1.00 0.00 H new ATOM 0 HD11 ILE A 93 12.116 6.320 2.198 1.00 0.00 H new ATOM 0 HD12 ILE A 93 10.650 5.314 2.113 1.00 0.00 H new ATOM 0 HD13 ILE A 93 12.137 4.660 2.840 1.00 0.00 H new ATOM 1349 N ALA A 94 10.361 0.973 -1.901 1.00 0.00 N ATOM 1350 CA ALA A 94 10.206 -0.290 -2.688 1.00 0.00 C ATOM 1351 C ALA A 94 10.879 -0.302 -4.102 1.00 0.00 C ATOM 1352 O ALA A 94 11.606 -1.250 -4.415 1.00 0.00 O ATOM 1353 CB ALA A 94 8.710 -0.641 -2.777 1.00 0.00 C ATOM 0 H ALA A 94 9.477 1.394 -1.615 1.00 0.00 H new ATOM 0 HA ALA A 94 10.757 -1.055 -2.141 1.00 0.00 H new ATOM 0 HB1 ALA A 94 8.585 -1.560 -3.349 1.00 0.00 H new ATOM 0 HB2 ALA A 94 8.309 -0.781 -1.773 1.00 0.00 H new ATOM 0 HB3 ALA A 94 8.175 0.169 -3.272 1.00 0.00 H new ATOM 1359 N TYR A 95 10.688 0.746 -4.932 1.00 0.00 N ATOM 1360 CA TYR A 95 11.445 0.917 -6.205 1.00 0.00 C ATOM 1361 C TYR A 95 12.999 0.991 -6.053 1.00 0.00 C ATOM 1362 O TYR A 95 13.693 0.232 -6.727 1.00 0.00 O ATOM 1363 CB TYR A 95 10.842 2.116 -6.992 1.00 0.00 C ATOM 1364 CG TYR A 95 11.440 2.359 -8.391 1.00 0.00 C ATOM 1365 CD1 TYR A 95 11.394 1.353 -9.364 1.00 0.00 C ATOM 1366 CD2 TYR A 95 12.099 3.560 -8.678 1.00 0.00 C ATOM 1367 CE1 TYR A 95 12.036 1.528 -10.586 1.00 0.00 C ATOM 1368 CE2 TYR A 95 12.716 3.743 -9.913 1.00 0.00 C ATOM 1369 CZ TYR A 95 12.694 2.722 -10.859 1.00 0.00 C ATOM 1370 OH TYR A 95 13.320 2.877 -12.067 1.00 0.00 O ATOM 0 H TYR A 95 10.016 1.491 -4.748 1.00 0.00 H new ATOM 0 HA TYR A 95 11.317 0.002 -6.784 1.00 0.00 H new ATOM 0 HB2 TYR A 95 9.769 1.956 -7.097 1.00 0.00 H new ATOM 0 HB3 TYR A 95 10.973 3.021 -6.398 1.00 0.00 H new ATOM 0 HD1 TYR A 95 10.858 0.437 -9.165 1.00 0.00 H new ATOM 0 HD2 TYR A 95 12.129 4.347 -7.939 1.00 0.00 H new ATOM 0 HE1 TYR A 95 12.023 0.737 -11.322 1.00 0.00 H new ATOM 0 HE2 TYR A 95 13.211 4.676 -10.137 1.00 0.00 H new ATOM 0 HH TYR A 95 13.869 2.087 -12.254 1.00 0.00 H new ATOM 1380 N LEU A 96 13.543 1.852 -5.179 1.00 0.00 N ATOM 1381 CA LEU A 96 15.007 1.900 -4.897 1.00 0.00 C ATOM 1382 C LEU A 96 15.623 0.639 -4.189 1.00 0.00 C ATOM 1383 O LEU A 96 16.816 0.397 -4.364 1.00 0.00 O ATOM 1384 CB LEU A 96 15.318 3.211 -4.128 1.00 0.00 C ATOM 1385 CG LEU A 96 14.967 4.565 -4.816 1.00 0.00 C ATOM 1386 CD1 LEU A 96 15.121 5.731 -3.825 1.00 0.00 C ATOM 1387 CD2 LEU A 96 15.816 4.832 -6.072 1.00 0.00 C ATOM 0 H LEU A 96 12.998 2.531 -4.648 1.00 0.00 H new ATOM 0 HA LEU A 96 15.505 1.886 -5.866 1.00 0.00 H new ATOM 0 HB2 LEU A 96 14.788 3.173 -3.176 1.00 0.00 H new ATOM 0 HB3 LEU A 96 16.384 3.219 -3.900 1.00 0.00 H new ATOM 0 HG LEU A 96 13.928 4.490 -5.136 1.00 0.00 H new ATOM 0 HD11 LEU A 96 14.872 6.668 -4.324 1.00 0.00 H new ATOM 0 HD12 LEU A 96 14.450 5.581 -2.979 1.00 0.00 H new ATOM 0 HD13 LEU A 96 16.150 5.772 -3.469 1.00 0.00 H new ATOM 0 HD21 LEU A 96 15.528 5.788 -6.509 1.00 0.00 H new ATOM 0 HD22 LEU A 96 16.871 4.861 -5.799 1.00 0.00 H new ATOM 0 HD23 LEU A 96 15.651 4.036 -6.799 1.00 0.00 H new ATOM 1399 N GLU A 97 14.847 -0.175 -3.441 1.00 0.00 N ATOM 1400 CA GLU A 97 15.223 -1.582 -3.086 1.00 0.00 C ATOM 1401 C GLU A 97 15.344 -2.573 -4.295 1.00 0.00 C ATOM 1402 O GLU A 97 16.318 -3.328 -4.351 1.00 0.00 O ATOM 1403 CB GLU A 97 14.217 -2.140 -2.040 1.00 0.00 C ATOM 1404 CG GLU A 97 14.390 -1.577 -0.613 1.00 0.00 C ATOM 1405 CD GLU A 97 13.243 -1.904 0.333 1.00 0.00 C ATOM 1406 OE1 GLU A 97 12.164 -1.098 0.112 1.00 0.00 O ATOM 1407 OE2 GLU A 97 13.297 -2.777 1.194 1.00 0.00 O ATOM 0 H GLU A 97 13.944 0.112 -3.063 1.00 0.00 H new ATOM 0 HA GLU A 97 16.230 -1.518 -2.675 1.00 0.00 H new ATOM 0 HB2 GLU A 97 13.204 -1.925 -2.380 1.00 0.00 H new ATOM 0 HB3 GLU A 97 14.317 -3.225 -2.002 1.00 0.00 H new ATOM 0 HG2 GLU A 97 15.316 -1.967 -0.191 1.00 0.00 H new ATOM 0 HG3 GLU A 97 14.499 -0.494 -0.673 1.00 0.00 H new ATOM 1414 N GLY A 98 14.384 -2.581 -5.242 1.00 0.00 N ATOM 1415 CA GLY A 98 14.544 -3.297 -6.542 1.00 0.00 C ATOM 1416 C GLY A 98 15.601 -2.758 -7.542 1.00 0.00 C ATOM 1417 O GLY A 98 16.305 -3.550 -8.171 1.00 0.00 O ATOM 0 H GLY A 98 13.489 -2.103 -5.139 1.00 0.00 H new ATOM 0 HA2 GLY A 98 14.790 -4.336 -6.323 1.00 0.00 H new ATOM 0 HA3 GLY A 98 13.577 -3.297 -7.045 1.00 0.00 H new ATOM 1421 N GLN A 99 15.717 -1.429 -7.693 1.00 0.00 N ATOM 1422 CA GLN A 99 16.739 -0.775 -8.556 1.00 0.00 C ATOM 1423 C GLN A 99 18.153 -0.705 -7.870 1.00 0.00 C ATOM 1424 O GLN A 99 18.620 0.366 -7.463 1.00 0.00 O ATOM 1425 CB GLN A 99 16.129 0.618 -8.908 1.00 0.00 C ATOM 1426 CG GLN A 99 16.787 1.401 -10.070 1.00 0.00 C ATOM 1427 CD GLN A 99 16.387 0.954 -11.480 1.00 0.00 C ATOM 1428 OE1 GLN A 99 15.362 1.360 -12.022 1.00 0.00 O ATOM 1429 NE2 GLN A 99 17.178 0.131 -12.125 1.00 0.00 N ATOM 0 H GLN A 99 15.104 -0.765 -7.220 1.00 0.00 H new ATOM 0 HA GLN A 99 16.944 -1.346 -9.462 1.00 0.00 H new ATOM 0 HB2 GLN A 99 15.076 0.475 -9.150 1.00 0.00 H new ATOM 0 HB3 GLN A 99 16.169 1.241 -8.014 1.00 0.00 H new ATOM 0 HG2 GLN A 99 16.539 2.457 -9.959 1.00 0.00 H new ATOM 0 HG3 GLN A 99 17.869 1.316 -9.975 1.00 0.00 H new ATOM 0 HE21 GLN A 99 18.031 -0.210 -11.681 1.00 0.00 H new ATOM 0 HE22 GLN A 99 16.941 -0.168 -13.071 1.00 0.00 H new ATOM 1438 N GLN A 100 18.828 -1.862 -7.747 1.00 0.00 N ATOM 1439 CA GLN A 100 20.154 -1.974 -7.083 1.00 0.00 C ATOM 1440 C GLN A 100 21.045 -2.955 -7.880 1.00 0.00 C ATOM 1441 O GLN A 100 22.076 -2.505 -8.431 1.00 0.00 O ATOM 1442 CB GLN A 100 20.056 -2.382 -5.583 1.00 0.00 C ATOM 1443 CG GLN A 100 19.220 -1.449 -4.662 1.00 0.00 C ATOM 1444 CD GLN A 100 19.578 -1.445 -3.178 1.00 0.00 C ATOM 1445 OE1 GLN A 100 20.294 -0.573 -2.698 1.00 0.00 O ATOM 1446 NE2 GLN A 100 19.083 -2.376 -2.400 1.00 0.00 N ATOM 1447 OXT GLN A 100 20.736 -4.169 -7.952 1.00 0.00 O ATOM 0 H GLN A 100 18.475 -2.750 -8.103 1.00 0.00 H new ATOM 0 HA GLN A 100 20.610 -0.984 -7.084 1.00 0.00 H new ATOM 0 HB2 GLN A 100 19.631 -3.384 -5.529 1.00 0.00 H new ATOM 0 HB3 GLN A 100 21.067 -2.443 -5.180 1.00 0.00 H new ATOM 0 HG2 GLN A 100 19.313 -0.430 -5.037 1.00 0.00 H new ATOM 0 HG3 GLN A 100 18.171 -1.729 -4.757 1.00 0.00 H new ATOM 0 HE21 GLN A 100 18.487 -3.105 -2.792 1.00 0.00 H new ATOM 0 HE22 GLN A 100 19.294 -2.372 -1.402 1.00 0.00 H new