USER MOD reduce.3.24.130724 H: found=0, std=0, add=613, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 614 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 16 ASN : amide:sc= -1.91 X(o=-8.3,f=-8.1!) USER MOD Set 1.2: A 18 HIS : no HD1:sc= -5! C(o=-8.3!,f=-8.7!) USER MOD Set 1.3: A 63 MET CE :methyl -131:sc= -1.38 (180deg=-1.87!) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 10 SER OG : rot 90:sc= 1.22 USER MOD Single : A 13 LYS NZ :NH3+ 144:sc= 0.361 (180deg=-1.44!) USER MOD Single : A 15 ASN : amide:sc= -0.24 X(o=-0.24,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= -2.13 K(o=-2.1,f=-2.6!) USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 GLN : amide:sc= 0.0978 X(o=0.098,f=-0.12) USER MOD Single : A 34 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.48) USER MOD Single : A 35 THR OG1 : rot 102:sc= 1.22 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 GLN : amide:sc= 0.593 K(o=0.59,f=-0.32) USER MOD Single : A 40 ASN :FLIP amide:sc= -2 F(o=-2.7,f=-2) USER MOD Single : A 42 SER OG : rot 47:sc= 0.129 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= -0.161 X(o=-0.16,f=-0.33) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00227) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS :FLIP no HD1:sc= -5.39! C(o=-8.6!,f=-5.4!) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 140:sc= 0.051 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -0.995 K(o=-0.99,f=-5!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 40 N HIS A 3 -11.818 -5.882 7.973 1.00 0.00 N ATOM 41 CA HIS A 3 -10.873 -6.085 9.065 1.00 0.00 C ATOM 42 C HIS A 3 -9.509 -6.509 8.533 1.00 0.00 C ATOM 43 O HIS A 3 -8.475 -6.083 9.042 1.00 0.00 O ATOM 44 CB HIS A 3 -11.405 -7.140 10.037 1.00 0.00 C ATOM 45 CG HIS A 3 -12.661 -6.726 10.740 1.00 0.00 C ATOM 46 ND1 HIS A 3 -13.918 -7.125 10.332 1.00 0.00 N ATOM 47 CD2 HIS A 3 -12.851 -5.946 11.831 1.00 0.00 C ATOM 48 CE1 HIS A 3 -14.826 -6.606 11.141 1.00 0.00 C ATOM 49 NE2 HIS A 3 -14.205 -5.887 12.058 1.00 0.00 N ATOM 0 HA HIS A 3 -10.758 -5.139 9.593 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -11.592 -8.064 9.491 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -10.638 -7.358 10.780 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -12.082 -5.461 12.414 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -15.894 -6.746 11.065 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -14.657 -5.371 12.813 1.00 0.00 H new ATOM 58 N GLU A 4 -9.518 -7.349 7.506 1.00 0.00 N ATOM 59 CA GLU A 4 -8.282 -7.836 6.899 1.00 0.00 C ATOM 60 C GLU A 4 -7.634 -6.771 6.013 1.00 0.00 C ATOM 61 O GLU A 4 -6.545 -6.967 5.482 1.00 0.00 O ATOM 62 CB GLU A 4 -8.560 -9.095 6.077 1.00 0.00 C ATOM 63 CG GLU A 4 -8.451 -10.381 6.880 1.00 0.00 C ATOM 64 CD GLU A 4 -9.404 -11.456 6.391 1.00 0.00 C ATOM 65 OE1 GLU A 4 -9.864 -11.358 5.234 1.00 0.00 O ATOM 66 OE2 GLU A 4 -9.689 -12.394 7.164 1.00 0.00 O ATOM 0 H GLU A 4 -10.369 -7.709 7.074 1.00 0.00 H new ATOM 0 HA GLU A 4 -7.587 -8.073 7.705 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -9.561 -9.027 5.650 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -7.860 -9.137 5.243 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -7.428 -10.754 6.824 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -8.656 -10.169 7.929 1.00 0.00 H new ATOM 73 N PHE A 5 -8.304 -5.643 5.854 1.00 0.00 N ATOM 74 CA PHE A 5 -7.784 -4.562 5.039 1.00 0.00 C ATOM 75 C PHE A 5 -6.964 -3.606 5.886 1.00 0.00 C ATOM 76 O PHE A 5 -6.082 -2.911 5.389 1.00 0.00 O ATOM 77 CB PHE A 5 -8.924 -3.819 4.352 1.00 0.00 C ATOM 78 CG PHE A 5 -8.901 -3.931 2.854 1.00 0.00 C ATOM 79 CD1 PHE A 5 -8.719 -5.159 2.241 1.00 0.00 C ATOM 80 CD2 PHE A 5 -9.060 -2.806 2.059 1.00 0.00 C ATOM 81 CE1 PHE A 5 -8.696 -5.266 0.863 1.00 0.00 C ATOM 82 CE2 PHE A 5 -9.038 -2.906 0.682 1.00 0.00 C ATOM 83 CZ PHE A 5 -8.855 -4.137 0.083 1.00 0.00 C ATOM 0 H PHE A 5 -9.211 -5.453 6.280 1.00 0.00 H new ATOM 0 HA PHE A 5 -7.136 -4.988 4.273 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -9.873 -4.206 4.722 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -8.879 -2.766 4.630 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -8.593 -6.044 2.847 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -9.203 -1.841 2.522 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -8.554 -6.230 0.397 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -9.164 -2.022 0.074 1.00 0.00 H new ATOM 0 HZ PHE A 5 -8.836 -4.217 -0.994 1.00 0.00 H new ATOM 93 N ARG A 6 -7.258 -3.581 7.176 1.00 0.00 N ATOM 94 CA ARG A 6 -6.539 -2.726 8.098 1.00 0.00 C ATOM 95 C ARG A 6 -5.789 -3.578 9.106 1.00 0.00 C ATOM 96 O ARG A 6 -4.737 -3.185 9.605 1.00 0.00 O ATOM 97 CB ARG A 6 -7.496 -1.768 8.810 1.00 0.00 C ATOM 98 CG ARG A 6 -6.810 -0.850 9.809 1.00 0.00 C ATOM 99 CD ARG A 6 -6.762 -1.472 11.196 1.00 0.00 C ATOM 100 NE ARG A 6 -7.819 -0.957 12.063 1.00 0.00 N ATOM 101 CZ ARG A 6 -7.797 -1.044 13.391 1.00 0.00 C ATOM 102 NH1 ARG A 6 -6.776 -1.628 14.007 1.00 0.00 N ATOM 103 NH2 ARG A 6 -8.797 -0.547 14.104 1.00 0.00 N ATOM 0 H ARG A 6 -7.991 -4.145 7.606 1.00 0.00 H new ATOM 0 HA ARG A 6 -5.823 -2.127 7.536 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -8.009 -1.161 8.065 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -8.259 -2.349 9.328 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -5.797 -0.635 9.470 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -7.340 0.101 9.854 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -6.858 -2.555 11.111 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -5.791 -1.272 11.650 1.00 0.00 H new ATOM 0 HE ARG A 6 -8.621 -0.504 11.625 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -6.004 -2.012 13.462 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -6.764 -1.692 15.025 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -9.584 -0.098 13.635 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -8.780 -0.614 15.122 1.00 0.00 H new ATOM 117 N ASP A 7 -6.327 -4.760 9.386 1.00 0.00 N ATOM 118 CA ASP A 7 -5.690 -5.669 10.314 1.00 0.00 C ATOM 119 C ASP A 7 -4.738 -6.591 9.574 1.00 0.00 C ATOM 120 O ASP A 7 -3.719 -7.005 10.123 1.00 0.00 O ATOM 121 CB ASP A 7 -6.727 -6.485 11.087 1.00 0.00 C ATOM 122 CG ASP A 7 -7.834 -5.621 11.658 1.00 0.00 C ATOM 123 OD1 ASP A 7 -7.522 -4.543 12.208 1.00 0.00 O ATOM 124 OD2 ASP A 7 -9.012 -6.020 11.557 1.00 0.00 O ATOM 0 H ASP A 7 -7.198 -5.104 8.983 1.00 0.00 H new ATOM 0 HA ASP A 7 -5.123 -5.078 11.033 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -7.160 -7.236 10.426 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -6.233 -7.020 11.898 1.00 0.00 H new ATOM 129 N GLU A 8 -5.045 -6.893 8.312 1.00 0.00 N ATOM 130 CA GLU A 8 -4.159 -7.739 7.534 1.00 0.00 C ATOM 131 C GLU A 8 -3.155 -6.867 6.807 1.00 0.00 C ATOM 132 O GLU A 8 -2.013 -7.264 6.593 1.00 0.00 O ATOM 133 CB GLU A 8 -4.927 -8.624 6.550 1.00 0.00 C ATOM 134 CG GLU A 8 -4.487 -10.079 6.573 1.00 0.00 C ATOM 135 CD GLU A 8 -4.324 -10.661 5.183 1.00 0.00 C ATOM 136 OE1 GLU A 8 -4.901 -10.095 4.231 1.00 0.00 O ATOM 137 OE2 GLU A 8 -3.622 -11.685 5.046 1.00 0.00 O ATOM 0 H GLU A 8 -5.880 -6.571 7.822 1.00 0.00 H new ATOM 0 HA GLU A 8 -3.637 -8.412 8.215 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -5.991 -8.571 6.780 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -4.798 -8.230 5.542 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -3.542 -10.160 7.110 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -5.219 -10.667 7.126 1.00 0.00 H new ATOM 144 N ILE A 9 -3.581 -5.662 6.429 1.00 0.00 N ATOM 145 CA ILE A 9 -2.684 -4.755 5.734 1.00 0.00 C ATOM 146 C ILE A 9 -1.738 -4.060 6.703 1.00 0.00 C ATOM 147 O ILE A 9 -0.637 -3.675 6.326 1.00 0.00 O ATOM 148 CB ILE A 9 -3.446 -3.690 4.922 1.00 0.00 C ATOM 149 CG1 ILE A 9 -4.402 -4.365 3.932 1.00 0.00 C ATOM 150 CG2 ILE A 9 -2.465 -2.775 4.197 1.00 0.00 C ATOM 151 CD1 ILE A 9 -5.047 -3.408 2.951 1.00 0.00 C ATOM 0 H ILE A 9 -4.522 -5.302 6.590 1.00 0.00 H new ATOM 0 HA ILE A 9 -2.108 -5.370 5.043 1.00 0.00 H new ATOM 0 HB ILE A 9 -4.037 -3.079 5.605 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -3.855 -5.126 3.376 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -5.184 -4.879 4.491 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -3.017 -2.028 3.627 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -1.826 -2.276 4.926 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -1.849 -3.366 3.519 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -5.709 -3.961 2.285 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -5.623 -2.661 3.497 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -4.274 -2.912 2.365 1.00 0.00 H new ATOM 163 N SER A 10 -2.159 -3.878 7.946 1.00 0.00 N ATOM 164 CA SER A 10 -1.304 -3.205 8.912 1.00 0.00 C ATOM 165 C SER A 10 -0.424 -4.176 9.692 1.00 0.00 C ATOM 166 O SER A 10 0.585 -3.774 10.267 1.00 0.00 O ATOM 167 CB SER A 10 -2.136 -2.357 9.876 1.00 0.00 C ATOM 168 OG SER A 10 -2.999 -1.482 9.170 1.00 0.00 O ATOM 0 H SER A 10 -3.066 -4.179 8.304 1.00 0.00 H new ATOM 0 HA SER A 10 -0.642 -2.554 8.341 1.00 0.00 H new ATOM 0 HB2 SER A 10 -2.723 -3.008 10.524 1.00 0.00 H new ATOM 0 HB3 SER A 10 -1.474 -1.779 10.521 1.00 0.00 H new ATOM 0 HG SER A 10 -3.855 -1.930 9.004 1.00 0.00 H new ATOM 174 N VAL A 11 -0.807 -5.444 9.735 1.00 0.00 N ATOM 175 CA VAL A 11 -0.027 -6.430 10.476 1.00 0.00 C ATOM 176 C VAL A 11 1.031 -7.105 9.607 1.00 0.00 C ATOM 177 O VAL A 11 2.134 -7.393 10.073 1.00 0.00 O ATOM 178 CB VAL A 11 -0.931 -7.506 11.113 1.00 0.00 C ATOM 179 CG1 VAL A 11 -0.097 -8.581 11.797 1.00 0.00 C ATOM 180 CG2 VAL A 11 -1.898 -6.870 12.100 1.00 0.00 C ATOM 0 H VAL A 11 -1.639 -5.812 9.274 1.00 0.00 H new ATOM 0 HA VAL A 11 0.481 -5.878 11.266 1.00 0.00 H new ATOM 0 HB VAL A 11 -1.508 -7.981 10.319 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -0.757 -9.328 12.238 1.00 0.00 H new ATOM 0 HG12 VAL A 11 0.553 -9.059 11.064 1.00 0.00 H new ATOM 0 HG13 VAL A 11 0.511 -8.127 12.579 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -2.529 -7.642 12.541 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.336 -6.367 12.887 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -2.523 -6.144 11.580 1.00 0.00 H new ATOM 190 N LEU A 12 0.689 -7.375 8.358 1.00 0.00 N ATOM 191 CA LEU A 12 1.615 -8.040 7.446 1.00 0.00 C ATOM 192 C LEU A 12 2.467 -7.050 6.675 1.00 0.00 C ATOM 193 O LEU A 12 3.658 -7.278 6.468 1.00 0.00 O ATOM 194 CB LEU A 12 0.857 -8.925 6.457 1.00 0.00 C ATOM 195 CG LEU A 12 -0.457 -9.497 6.980 1.00 0.00 C ATOM 196 CD1 LEU A 12 -1.342 -9.952 5.827 1.00 0.00 C ATOM 197 CD2 LEU A 12 -0.193 -10.645 7.943 1.00 0.00 C ATOM 0 H LEU A 12 -0.218 -7.147 7.950 1.00 0.00 H new ATOM 0 HA LEU A 12 2.274 -8.653 8.061 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.651 -8.345 5.557 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.504 -9.751 6.162 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.983 -8.711 7.521 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.274 -10.357 6.221 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -1.560 -9.103 5.179 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.826 -10.722 5.254 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.141 -11.041 8.306 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.356 -11.433 7.428 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.396 -10.284 8.786 1.00 0.00 H new ATOM 209 N LYS A 13 1.856 -5.961 6.234 1.00 0.00 N ATOM 210 CA LYS A 13 2.589 -4.962 5.463 1.00 0.00 C ATOM 211 C LYS A 13 3.436 -4.078 6.366 1.00 0.00 C ATOM 212 O LYS A 13 4.446 -3.529 5.929 1.00 0.00 O ATOM 213 CB LYS A 13 1.642 -4.116 4.617 1.00 0.00 C ATOM 214 CG LYS A 13 1.219 -4.799 3.327 1.00 0.00 C ATOM 215 CD LYS A 13 0.135 -5.837 3.574 1.00 0.00 C ATOM 216 CE LYS A 13 0.467 -7.162 2.903 1.00 0.00 C ATOM 217 NZ LYS A 13 1.797 -7.685 3.325 1.00 0.00 N ATOM 0 H LYS A 13 0.871 -5.746 6.392 1.00 0.00 H new ATOM 0 HA LYS A 13 3.260 -5.496 4.790 1.00 0.00 H new ATOM 0 HB2 LYS A 13 0.754 -3.880 5.203 1.00 0.00 H new ATOM 0 HB3 LYS A 13 2.127 -3.170 4.377 1.00 0.00 H new ATOM 0 HG2 LYS A 13 0.855 -4.052 2.621 1.00 0.00 H new ATOM 0 HG3 LYS A 13 2.084 -5.277 2.867 1.00 0.00 H new ATOM 0 HD2 LYS A 13 0.015 -5.991 4.646 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -0.818 -5.466 3.197 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -0.304 -7.894 3.145 1.00 0.00 H new ATOM 0 HE3 LYS A 13 0.455 -7.033 1.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 1.757 -8.722 3.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 2.516 -7.410 2.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 2.047 -7.289 4.253 1.00 0.00 H new ATOM 231 N ALA A 14 3.043 -3.957 7.628 1.00 0.00 N ATOM 232 CA ALA A 14 3.801 -3.154 8.575 1.00 0.00 C ATOM 233 C ALA A 14 4.925 -3.979 9.198 1.00 0.00 C ATOM 234 O ALA A 14 5.738 -3.462 9.964 1.00 0.00 O ATOM 235 CB ALA A 14 2.889 -2.591 9.652 1.00 0.00 C ATOM 0 H ALA A 14 2.211 -4.401 8.016 1.00 0.00 H new ATOM 0 HA ALA A 14 4.247 -2.318 8.036 1.00 0.00 H new ATOM 0 HB1 ALA A 14 3.476 -1.994 10.350 1.00 0.00 H new ATOM 0 HB2 ALA A 14 2.125 -1.965 9.191 1.00 0.00 H new ATOM 0 HB3 ALA A 14 2.411 -3.410 10.189 1.00 0.00 H new ATOM 241 N ASN A 15 4.962 -5.268 8.861 1.00 0.00 N ATOM 242 CA ASN A 15 5.983 -6.169 9.385 1.00 0.00 C ATOM 243 C ASN A 15 6.548 -7.070 8.298 1.00 0.00 C ATOM 244 O ASN A 15 7.268 -8.025 8.590 1.00 0.00 O ATOM 245 CB ASN A 15 5.412 -7.017 10.522 1.00 0.00 C ATOM 246 CG ASN A 15 5.411 -6.282 11.848 1.00 0.00 C ATOM 247 OD1 ASN A 15 6.224 -6.565 12.729 1.00 0.00 O ATOM 248 ND2 ASN A 15 4.496 -5.332 11.998 1.00 0.00 N ATOM 0 H ASN A 15 4.296 -5.710 8.227 1.00 0.00 H new ATOM 0 HA ASN A 15 6.797 -5.554 9.768 1.00 0.00 H new ATOM 0 HB2 ASN A 15 4.393 -7.314 10.274 1.00 0.00 H new ATOM 0 HB3 ASN A 15 5.996 -7.932 10.618 1.00 0.00 H new ATOM 0 HD21 ASN A 15 4.447 -4.804 12.869 1.00 0.00 H new ATOM 0 HD22 ASN A 15 3.842 -5.130 11.242 1.00 0.00 H new ATOM 255 N ASN A 16 6.234 -6.766 7.044 1.00 0.00 N ATOM 256 CA ASN A 16 6.736 -7.563 5.939 1.00 0.00 C ATOM 257 C ASN A 16 8.164 -7.155 5.584 1.00 0.00 C ATOM 258 O ASN A 16 8.558 -6.009 5.794 1.00 0.00 O ATOM 259 CB ASN A 16 5.829 -7.419 4.715 1.00 0.00 C ATOM 260 CG ASN A 16 5.131 -8.714 4.354 1.00 0.00 C ATOM 261 OD1 ASN A 16 4.940 -9.588 5.200 1.00 0.00 O ATOM 262 ND2 ASN A 16 4.745 -8.845 3.089 1.00 0.00 N ATOM 0 H ASN A 16 5.641 -5.982 6.772 1.00 0.00 H new ATOM 0 HA ASN A 16 6.740 -8.608 6.250 1.00 0.00 H new ATOM 0 HB2 ASN A 16 5.082 -6.649 4.909 1.00 0.00 H new ATOM 0 HB3 ASN A 16 6.422 -7.081 3.865 1.00 0.00 H new ATOM 0 HD21 ASN A 16 4.270 -9.695 2.786 1.00 0.00 H new ATOM 0 HD22 ASN A 16 4.924 -8.095 2.421 1.00 0.00 H new ATOM 269 N PRO A 17 8.962 -8.088 5.037 1.00 0.00 N ATOM 270 CA PRO A 17 10.351 -7.812 4.653 1.00 0.00 C ATOM 271 C PRO A 17 10.451 -6.706 3.615 1.00 0.00 C ATOM 272 O PRO A 17 11.501 -6.083 3.454 1.00 0.00 O ATOM 273 CB PRO A 17 10.847 -9.144 4.077 1.00 0.00 C ATOM 274 CG PRO A 17 9.612 -9.911 3.747 1.00 0.00 C ATOM 275 CD PRO A 17 8.577 -9.479 4.745 1.00 0.00 C ATOM 0 HA PRO A 17 10.943 -7.463 5.499 1.00 0.00 H new ATOM 0 HB2 PRO A 17 11.461 -8.985 3.190 1.00 0.00 H new ATOM 0 HB3 PRO A 17 11.463 -9.680 4.799 1.00 0.00 H new ATOM 0 HG2 PRO A 17 9.283 -9.702 2.729 1.00 0.00 H new ATOM 0 HG3 PRO A 17 9.791 -10.984 3.810 1.00 0.00 H new ATOM 0 HD2 PRO A 17 7.569 -9.542 4.335 1.00 0.00 H new ATOM 0 HD3 PRO A 17 8.596 -10.100 5.641 1.00 0.00 H new ATOM 283 N HIS A 18 9.351 -6.461 2.925 1.00 0.00 N ATOM 284 CA HIS A 18 9.301 -5.424 1.911 1.00 0.00 C ATOM 285 C HIS A 18 8.991 -4.074 2.547 1.00 0.00 C ATOM 286 O HIS A 18 9.343 -3.026 2.006 1.00 0.00 O ATOM 287 CB HIS A 18 8.243 -5.781 0.873 1.00 0.00 C ATOM 288 CG HIS A 18 8.667 -5.504 -0.537 1.00 0.00 C ATOM 289 ND1 HIS A 18 9.689 -4.636 -0.860 1.00 0.00 N ATOM 290 CD2 HIS A 18 8.202 -5.990 -1.712 1.00 0.00 C ATOM 291 CE1 HIS A 18 9.833 -4.598 -2.172 1.00 0.00 C ATOM 292 NE2 HIS A 18 8.944 -5.411 -2.713 1.00 0.00 N ATOM 0 H HIS A 18 8.476 -6.970 3.050 1.00 0.00 H new ATOM 0 HA HIS A 18 10.272 -5.353 1.421 1.00 0.00 H new ATOM 0 HB2 HIS A 18 7.996 -6.838 0.968 1.00 0.00 H new ATOM 0 HB3 HIS A 18 7.333 -5.220 1.087 1.00 0.00 H new ATOM 0 HD2 HIS A 18 7.398 -6.700 -1.839 1.00 0.00 H new ATOM 0 HE1 HIS A 18 10.555 -4.003 -2.711 1.00 0.00 H new ATOM 0 HE2 HIS A 18 8.827 -5.581 -3.712 1.00 0.00 H new ATOM 301 N PHE A 19 8.335 -4.108 3.705 1.00 0.00 N ATOM 302 CA PHE A 19 7.986 -2.888 4.422 1.00 0.00 C ATOM 303 C PHE A 19 9.219 -2.013 4.618 1.00 0.00 C ATOM 304 O PHE A 19 9.135 -0.789 4.646 1.00 0.00 O ATOM 305 CB PHE A 19 7.336 -3.232 5.773 1.00 0.00 C ATOM 306 CG PHE A 19 8.176 -2.911 6.982 1.00 0.00 C ATOM 307 CD1 PHE A 19 9.381 -3.558 7.204 1.00 0.00 C ATOM 308 CD2 PHE A 19 7.753 -1.960 7.897 1.00 0.00 C ATOM 309 CE1 PHE A 19 10.149 -3.262 8.314 1.00 0.00 C ATOM 310 CE2 PHE A 19 8.517 -1.661 9.010 1.00 0.00 C ATOM 311 CZ PHE A 19 9.716 -2.313 9.218 1.00 0.00 C ATOM 0 H PHE A 19 8.035 -4.968 4.165 1.00 0.00 H new ATOM 0 HA PHE A 19 7.265 -2.327 3.828 1.00 0.00 H new ATOM 0 HB2 PHE A 19 6.391 -2.694 5.852 1.00 0.00 H new ATOM 0 HB3 PHE A 19 7.099 -4.296 5.785 1.00 0.00 H new ATOM 0 HD1 PHE A 19 9.724 -4.303 6.501 1.00 0.00 H new ATOM 0 HD2 PHE A 19 6.816 -1.447 7.739 1.00 0.00 H new ATOM 0 HE1 PHE A 19 11.087 -3.773 8.474 1.00 0.00 H new ATOM 0 HE2 PHE A 19 8.176 -0.918 9.716 1.00 0.00 H new ATOM 0 HZ PHE A 19 10.314 -2.081 10.087 1.00 0.00 H new ATOM 321 N ASP A 20 10.370 -2.644 4.747 1.00 0.00 N ATOM 322 CA ASP A 20 11.611 -1.908 4.936 1.00 0.00 C ATOM 323 C ASP A 20 11.727 -0.767 3.936 1.00 0.00 C ATOM 324 O ASP A 20 11.960 0.379 4.309 1.00 0.00 O ATOM 325 CB ASP A 20 12.806 -2.835 4.779 1.00 0.00 C ATOM 326 CG ASP A 20 13.025 -3.717 5.993 1.00 0.00 C ATOM 327 OD1 ASP A 20 12.802 -3.235 7.124 1.00 0.00 O ATOM 328 OD2 ASP A 20 13.419 -4.888 5.813 1.00 0.00 O ATOM 0 H ASP A 20 10.475 -3.658 4.725 1.00 0.00 H new ATOM 0 HA ASP A 20 11.600 -1.494 5.944 1.00 0.00 H new ATOM 0 HB2 ASP A 20 12.661 -3.463 3.900 1.00 0.00 H new ATOM 0 HB3 ASP A 20 13.702 -2.240 4.601 1.00 0.00 H new ATOM 333 N LYS A 21 11.571 -1.097 2.663 1.00 0.00 N ATOM 334 CA LYS A 21 11.665 -0.109 1.595 1.00 0.00 C ATOM 335 C LYS A 21 10.308 0.509 1.277 1.00 0.00 C ATOM 336 O LYS A 21 10.186 1.726 1.132 1.00 0.00 O ATOM 337 CB LYS A 21 12.252 -0.753 0.338 1.00 0.00 C ATOM 338 CG LYS A 21 13.771 -0.707 0.283 1.00 0.00 C ATOM 339 CD LYS A 21 14.384 -2.013 0.759 1.00 0.00 C ATOM 340 CE LYS A 21 15.844 -2.127 0.348 1.00 0.00 C ATOM 341 NZ LYS A 21 16.764 -1.830 1.480 1.00 0.00 N ATOM 0 H LYS A 21 11.378 -2.046 2.342 1.00 0.00 H new ATOM 0 HA LYS A 21 12.322 0.690 1.938 1.00 0.00 H new ATOM 0 HB2 LYS A 21 11.926 -1.792 0.286 1.00 0.00 H new ATOM 0 HB3 LYS A 21 11.850 -0.249 -0.540 1.00 0.00 H new ATOM 0 HG2 LYS A 21 14.093 -0.503 -0.738 1.00 0.00 H new ATOM 0 HG3 LYS A 21 14.134 0.114 0.902 1.00 0.00 H new ATOM 0 HD2 LYS A 21 14.304 -2.079 1.844 1.00 0.00 H new ATOM 0 HD3 LYS A 21 13.822 -2.851 0.346 1.00 0.00 H new ATOM 0 HE2 LYS A 21 16.039 -3.133 -0.024 1.00 0.00 H new ATOM 0 HE3 LYS A 21 16.045 -1.439 -0.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 17.749 -1.919 1.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 16.596 -0.861 1.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 16.590 -2.503 2.254 1.00 0.00 H new ATOM 355 N ILE A 22 9.295 -0.338 1.151 1.00 0.00 N ATOM 356 CA ILE A 22 7.947 0.121 0.827 1.00 0.00 C ATOM 357 C ILE A 22 7.323 0.912 1.969 1.00 0.00 C ATOM 358 O ILE A 22 6.538 1.831 1.738 1.00 0.00 O ATOM 359 CB ILE A 22 7.017 -1.055 0.476 1.00 0.00 C ATOM 360 CG1 ILE A 22 7.714 -2.028 -0.479 1.00 0.00 C ATOM 361 CG2 ILE A 22 5.722 -0.537 -0.134 1.00 0.00 C ATOM 362 CD1 ILE A 22 6.819 -3.148 -0.967 1.00 0.00 C ATOM 0 H ILE A 22 9.379 -1.348 1.268 1.00 0.00 H new ATOM 0 HA ILE A 22 8.053 0.772 -0.040 1.00 0.00 H new ATOM 0 HB ILE A 22 6.777 -1.594 1.392 1.00 0.00 H new ATOM 0 HG12 ILE A 22 8.089 -1.473 -1.339 1.00 0.00 H new ATOM 0 HG13 ILE A 22 8.580 -2.459 0.024 1.00 0.00 H new ATOM 0 HG21 ILE A 22 5.073 -1.378 -0.378 1.00 0.00 H new ATOM 0 HG22 ILE A 22 5.219 0.115 0.580 1.00 0.00 H new ATOM 0 HG23 ILE A 22 5.946 0.024 -1.042 1.00 0.00 H new ATOM 0 HD11 ILE A 22 7.381 -3.797 -1.639 1.00 0.00 H new ATOM 0 HD12 ILE A 22 6.465 -3.728 -0.115 1.00 0.00 H new ATOM 0 HD13 ILE A 22 5.966 -2.727 -1.499 1.00 0.00 H new ATOM 374 N PHE A 23 7.662 0.549 3.201 1.00 0.00 N ATOM 375 CA PHE A 23 7.111 1.236 4.363 1.00 0.00 C ATOM 376 C PHE A 23 7.966 2.434 4.756 1.00 0.00 C ATOM 377 O PHE A 23 7.454 3.407 5.303 1.00 0.00 O ATOM 378 CB PHE A 23 6.955 0.281 5.549 1.00 0.00 C ATOM 379 CG PHE A 23 5.554 0.206 6.075 1.00 0.00 C ATOM 380 CD1 PHE A 23 5.072 1.164 6.952 1.00 0.00 C ATOM 381 CD2 PHE A 23 4.716 -0.827 5.688 1.00 0.00 C ATOM 382 CE1 PHE A 23 3.778 1.093 7.434 1.00 0.00 C ATOM 383 CE2 PHE A 23 3.422 -0.905 6.167 1.00 0.00 C ATOM 384 CZ PHE A 23 2.952 0.057 7.040 1.00 0.00 C ATOM 0 H PHE A 23 8.309 -0.209 3.420 1.00 0.00 H new ATOM 0 HA PHE A 23 6.122 1.601 4.084 1.00 0.00 H new ATOM 0 HB2 PHE A 23 7.275 -0.716 5.247 1.00 0.00 H new ATOM 0 HB3 PHE A 23 7.620 0.600 6.352 1.00 0.00 H new ATOM 0 HD1 PHE A 23 5.714 1.975 7.263 1.00 0.00 H new ATOM 0 HD2 PHE A 23 5.078 -1.580 5.004 1.00 0.00 H new ATOM 0 HE1 PHE A 23 3.413 1.846 8.117 1.00 0.00 H new ATOM 0 HE2 PHE A 23 2.779 -1.717 5.859 1.00 0.00 H new ATOM 0 HZ PHE A 23 1.941 -0.000 7.414 1.00 0.00 H new ATOM 394 N GLU A 24 9.268 2.375 4.478 1.00 0.00 N ATOM 395 CA GLU A 24 10.141 3.492 4.819 1.00 0.00 C ATOM 396 C GLU A 24 9.814 4.701 3.953 1.00 0.00 C ATOM 397 O GLU A 24 9.741 5.828 4.442 1.00 0.00 O ATOM 398 CB GLU A 24 11.614 3.116 4.653 1.00 0.00 C ATOM 399 CG GLU A 24 12.232 2.516 5.906 1.00 0.00 C ATOM 400 CD GLU A 24 12.794 3.569 6.841 1.00 0.00 C ATOM 401 OE1 GLU A 24 13.716 4.301 6.424 1.00 0.00 O ATOM 402 OE2 GLU A 24 12.313 3.659 7.989 1.00 0.00 O ATOM 0 H GLU A 24 9.731 1.585 4.028 1.00 0.00 H new ATOM 0 HA GLU A 24 9.969 3.742 5.866 1.00 0.00 H new ATOM 0 HB2 GLU A 24 11.709 2.403 3.834 1.00 0.00 H new ATOM 0 HB3 GLU A 24 12.178 4.005 4.369 1.00 0.00 H new ATOM 0 HG2 GLU A 24 11.479 1.932 6.434 1.00 0.00 H new ATOM 0 HG3 GLU A 24 13.027 1.827 5.620 1.00 0.00 H new ATOM 409 N LYS A 25 9.605 4.455 2.667 1.00 0.00 N ATOM 410 CA LYS A 25 9.270 5.522 1.734 1.00 0.00 C ATOM 411 C LYS A 25 7.852 6.013 1.988 1.00 0.00 C ATOM 412 O LYS A 25 7.561 7.202 1.867 1.00 0.00 O ATOM 413 CB LYS A 25 9.408 5.034 0.290 1.00 0.00 C ATOM 414 CG LYS A 25 10.761 5.341 -0.330 1.00 0.00 C ATOM 415 CD LYS A 25 11.885 4.618 0.393 1.00 0.00 C ATOM 416 CE LYS A 25 13.120 5.495 0.524 1.00 0.00 C ATOM 417 NZ LYS A 25 14.312 4.715 0.953 1.00 0.00 N ATOM 0 H LYS A 25 9.661 3.527 2.246 1.00 0.00 H new ATOM 0 HA LYS A 25 9.964 6.349 1.888 1.00 0.00 H new ATOM 0 HB2 LYS A 25 9.241 3.957 0.262 1.00 0.00 H new ATOM 0 HB3 LYS A 25 8.627 5.494 -0.316 1.00 0.00 H new ATOM 0 HG2 LYS A 25 10.756 5.048 -1.380 1.00 0.00 H new ATOM 0 HG3 LYS A 25 10.940 6.416 -0.300 1.00 0.00 H new ATOM 0 HD2 LYS A 25 11.546 4.315 1.384 1.00 0.00 H new ATOM 0 HD3 LYS A 25 12.140 3.707 -0.149 1.00 0.00 H new ATOM 0 HE2 LYS A 25 13.326 5.977 -0.432 1.00 0.00 H new ATOM 0 HE3 LYS A 25 12.927 6.289 1.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 15.133 5.349 1.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 14.125 4.276 1.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 14.513 3.974 0.252 1.00 0.00 H new ATOM 431 N HIS A 26 6.975 5.085 2.357 1.00 0.00 N ATOM 432 CA HIS A 26 5.587 5.415 2.646 1.00 0.00 C ATOM 433 C HIS A 26 5.480 6.099 4.002 1.00 0.00 C ATOM 434 O HIS A 26 4.794 7.109 4.149 1.00 0.00 O ATOM 435 CB HIS A 26 4.724 4.149 2.617 1.00 0.00 C ATOM 436 CG HIS A 26 3.302 4.378 3.032 1.00 0.00 C ATOM 437 ND1 HIS A 26 2.637 3.557 3.919 1.00 0.00 N ATOM 438 CD2 HIS A 26 2.419 5.341 2.678 1.00 0.00 C ATOM 439 CE1 HIS A 26 1.406 4.006 4.092 1.00 0.00 C ATOM 440 NE2 HIS A 26 1.249 5.087 3.351 1.00 0.00 N ATOM 0 H HIS A 26 7.203 4.097 2.463 1.00 0.00 H new ATOM 0 HA HIS A 26 5.223 6.101 1.881 1.00 0.00 H new ATOM 0 HB2 HIS A 26 4.736 3.735 1.609 1.00 0.00 H new ATOM 0 HB3 HIS A 26 5.169 3.402 3.274 1.00 0.00 H new ATOM 0 HD2 HIS A 26 2.601 6.157 1.994 1.00 0.00 H new ATOM 0 HE1 HIS A 26 0.656 3.564 4.731 1.00 0.00 H new ATOM 0 HE2 HIS A 26 0.397 5.644 3.288 1.00 0.00 H new ATOM 449 N ASN A 27 6.169 5.540 4.988 1.00 0.00 N ATOM 450 CA ASN A 27 6.161 6.095 6.335 1.00 0.00 C ATOM 451 C ASN A 27 6.940 7.408 6.394 1.00 0.00 C ATOM 452 O ASN A 27 6.752 8.209 7.311 1.00 0.00 O ATOM 453 CB ASN A 27 6.750 5.093 7.329 1.00 0.00 C ATOM 454 CG ASN A 27 6.437 5.453 8.768 1.00 0.00 C ATOM 455 OD1 ASN A 27 7.329 5.793 9.545 1.00 0.00 O ATOM 456 ND2 ASN A 27 5.161 5.377 9.133 1.00 0.00 N ATOM 0 H ASN A 27 6.741 4.702 4.880 1.00 0.00 H new ATOM 0 HA ASN A 27 5.125 6.298 6.607 1.00 0.00 H new ATOM 0 HB2 ASN A 27 6.359 4.099 7.113 1.00 0.00 H new ATOM 0 HB3 ASN A 27 7.831 5.046 7.196 1.00 0.00 H new ATOM 0 HD21 ASN A 27 4.890 5.605 10.089 1.00 0.00 H new ATOM 0 HD22 ASN A 27 4.453 5.091 8.457 1.00 0.00 H new ATOM 463 N GLN A 28 7.807 7.630 5.409 1.00 0.00 N ATOM 464 CA GLN A 28 8.601 8.850 5.355 1.00 0.00 C ATOM 465 C GLN A 28 7.759 9.998 4.818 1.00 0.00 C ATOM 466 O GLN A 28 7.873 11.134 5.278 1.00 0.00 O ATOM 467 CB GLN A 28 9.840 8.648 4.478 1.00 0.00 C ATOM 468 CG GLN A 28 10.694 9.897 4.332 1.00 0.00 C ATOM 469 CD GLN A 28 11.293 10.349 5.650 1.00 0.00 C ATOM 470 OE1 GLN A 28 12.467 10.099 5.930 1.00 0.00 O ATOM 471 NE2 GLN A 28 10.489 11.017 6.468 1.00 0.00 N ATOM 0 H GLN A 28 7.976 6.981 4.640 1.00 0.00 H new ATOM 0 HA GLN A 28 8.930 9.094 6.365 1.00 0.00 H new ATOM 0 HB2 GLN A 28 10.449 7.850 4.902 1.00 0.00 H new ATOM 0 HB3 GLN A 28 9.524 8.316 3.489 1.00 0.00 H new ATOM 0 HG2 GLN A 28 11.496 9.704 3.620 1.00 0.00 H new ATOM 0 HG3 GLN A 28 10.087 10.702 3.918 1.00 0.00 H new ATOM 0 HE21 GLN A 28 9.524 11.202 6.196 1.00 0.00 H new ATOM 0 HE22 GLN A 28 10.837 11.345 7.369 1.00 0.00 H new ATOM 480 N LEU A 29 6.902 9.688 3.853 1.00 0.00 N ATOM 481 CA LEU A 29 6.026 10.690 3.269 1.00 0.00 C ATOM 482 C LEU A 29 4.940 11.063 4.263 1.00 0.00 C ATOM 483 O LEU A 29 4.699 12.240 4.526 1.00 0.00 O ATOM 484 CB LEU A 29 5.408 10.174 1.969 1.00 0.00 C ATOM 485 CG LEU A 29 5.954 10.821 0.696 1.00 0.00 C ATOM 486 CD1 LEU A 29 5.601 12.300 0.657 1.00 0.00 C ATOM 487 CD2 LEU A 29 7.460 10.629 0.605 1.00 0.00 C ATOM 0 H LEU A 29 6.797 8.752 3.461 1.00 0.00 H new ATOM 0 HA LEU A 29 6.613 11.578 3.035 1.00 0.00 H new ATOM 0 HB2 LEU A 29 5.568 9.097 1.910 1.00 0.00 H new ATOM 0 HB3 LEU A 29 4.331 10.334 2.007 1.00 0.00 H new ATOM 0 HG LEU A 29 5.493 10.335 -0.163 1.00 0.00 H new ATOM 0 HD11 LEU A 29 5.997 12.745 -0.256 1.00 0.00 H new ATOM 0 HD12 LEU A 29 4.517 12.416 0.676 1.00 0.00 H new ATOM 0 HD13 LEU A 29 6.035 12.801 1.523 1.00 0.00 H new ATOM 0 HD21 LEU A 29 7.832 11.096 -0.307 1.00 0.00 H new ATOM 0 HD22 LEU A 29 7.938 11.090 1.469 1.00 0.00 H new ATOM 0 HD23 LEU A 29 7.691 9.564 0.588 1.00 0.00 H new ATOM 499 N ASP A 30 4.306 10.045 4.835 1.00 0.00 N ATOM 500 CA ASP A 30 3.261 10.261 5.826 1.00 0.00 C ATOM 501 C ASP A 30 3.824 11.013 7.028 1.00 0.00 C ATOM 502 O ASP A 30 3.081 11.619 7.799 1.00 0.00 O ATOM 503 CB ASP A 30 2.656 8.927 6.269 1.00 0.00 C ATOM 504 CG ASP A 30 1.271 8.701 5.695 1.00 0.00 C ATOM 505 OD1 ASP A 30 1.176 8.298 4.516 1.00 0.00 O ATOM 506 OD2 ASP A 30 0.281 8.927 6.423 1.00 0.00 O ATOM 0 H ASP A 30 4.498 9.065 4.629 1.00 0.00 H new ATOM 0 HA ASP A 30 2.473 10.862 5.373 1.00 0.00 H new ATOM 0 HB2 ASP A 30 3.312 8.113 5.959 1.00 0.00 H new ATOM 0 HB3 ASP A 30 2.604 8.898 7.357 1.00 0.00 H new ATOM 511 N ASP A 31 5.147 10.988 7.173 1.00 0.00 N ATOM 512 CA ASP A 31 5.799 11.696 8.264 1.00 0.00 C ATOM 513 C ASP A 31 6.082 13.131 7.840 1.00 0.00 C ATOM 514 O ASP A 31 6.093 14.046 8.664 1.00 0.00 O ATOM 515 CB ASP A 31 7.096 10.994 8.670 1.00 0.00 C ATOM 516 CG ASP A 31 7.651 11.518 9.980 1.00 0.00 C ATOM 517 OD1 ASP A 31 7.490 12.726 10.253 1.00 0.00 O ATOM 518 OD2 ASP A 31 8.249 10.720 10.733 1.00 0.00 O ATOM 0 H ASP A 31 5.782 10.488 6.551 1.00 0.00 H new ATOM 0 HA ASP A 31 5.135 11.700 9.129 1.00 0.00 H new ATOM 0 HB2 ASP A 31 6.914 9.923 8.758 1.00 0.00 H new ATOM 0 HB3 ASP A 31 7.840 11.127 7.884 1.00 0.00 H new ATOM 523 N ASP A 32 6.282 13.321 6.538 1.00 0.00 N ATOM 524 CA ASP A 32 6.533 14.645 5.988 1.00 0.00 C ATOM 525 C ASP A 32 5.210 15.374 5.790 1.00 0.00 C ATOM 526 O ASP A 32 5.132 16.594 5.933 1.00 0.00 O ATOM 527 CB ASP A 32 7.283 14.540 4.659 1.00 0.00 C ATOM 528 CG ASP A 32 8.244 15.692 4.446 1.00 0.00 C ATOM 529 OD1 ASP A 32 8.952 16.060 5.406 1.00 0.00 O ATOM 530 OD2 ASP A 32 8.291 16.227 3.317 1.00 0.00 O ATOM 0 H ASP A 32 6.275 12.572 5.846 1.00 0.00 H new ATOM 0 HA ASP A 32 7.152 15.207 6.687 1.00 0.00 H new ATOM 0 HB2 ASP A 32 7.834 13.600 4.629 1.00 0.00 H new ATOM 0 HB3 ASP A 32 6.564 14.514 3.840 1.00 0.00 H new ATOM 535 N ILE A 33 4.167 14.607 5.475 1.00 0.00 N ATOM 536 CA ILE A 33 2.844 15.161 5.275 1.00 0.00 C ATOM 537 C ILE A 33 2.341 15.797 6.565 1.00 0.00 C ATOM 538 O ILE A 33 1.687 16.840 6.541 1.00 0.00 O ATOM 539 CB ILE A 33 1.850 14.075 4.806 1.00 0.00 C ATOM 540 CG1 ILE A 33 1.498 13.131 5.955 1.00 0.00 C ATOM 541 CG2 ILE A 33 2.422 13.299 3.628 1.00 0.00 C ATOM 542 CD1 ILE A 33 0.340 13.613 6.802 1.00 0.00 C ATOM 0 H ILE A 33 4.222 13.596 5.354 1.00 0.00 H new ATOM 0 HA ILE A 33 2.912 15.923 4.498 1.00 0.00 H new ATOM 0 HB ILE A 33 0.934 14.568 4.479 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.255 12.150 5.547 1.00 0.00 H new ATOM 0 HG13 ILE A 33 2.374 13.004 6.591 1.00 0.00 H new ATOM 0 HG21 ILE A 33 1.708 12.539 3.312 1.00 0.00 H new ATOM 0 HG22 ILE A 33 2.614 13.982 2.801 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.354 12.819 3.926 1.00 0.00 H new ATOM 0 HD11 ILE A 33 0.147 12.893 7.597 1.00 0.00 H new ATOM 0 HD12 ILE A 33 0.587 14.580 7.240 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -0.549 13.713 6.180 1.00 0.00 H new ATOM 554 N LYS A 34 2.668 15.170 7.695 1.00 0.00 N ATOM 555 CA LYS A 34 2.263 15.693 8.992 1.00 0.00 C ATOM 556 C LYS A 34 3.177 16.839 9.391 1.00 0.00 C ATOM 557 O LYS A 34 2.732 17.836 9.960 1.00 0.00 O ATOM 558 CB LYS A 34 2.292 14.595 10.056 1.00 0.00 C ATOM 559 CG LYS A 34 3.629 13.881 10.166 1.00 0.00 C ATOM 560 CD LYS A 34 3.785 13.195 11.513 1.00 0.00 C ATOM 561 CE LYS A 34 3.388 11.728 11.442 1.00 0.00 C ATOM 562 NZ LYS A 34 1.925 11.558 11.224 1.00 0.00 N ATOM 0 H LYS A 34 3.208 14.306 7.735 1.00 0.00 H new ATOM 0 HA LYS A 34 1.240 16.061 8.915 1.00 0.00 H new ATOM 0 HB2 LYS A 34 2.044 15.033 11.023 1.00 0.00 H new ATOM 0 HB3 LYS A 34 1.517 13.862 9.830 1.00 0.00 H new ATOM 0 HG2 LYS A 34 3.715 13.143 9.369 1.00 0.00 H new ATOM 0 HG3 LYS A 34 4.438 14.598 10.026 1.00 0.00 H new ATOM 0 HD2 LYS A 34 4.819 13.277 11.846 1.00 0.00 H new ATOM 0 HD3 LYS A 34 3.170 13.704 12.255 1.00 0.00 H new ATOM 0 HE2 LYS A 34 3.934 11.243 10.633 1.00 0.00 H new ATOM 0 HE3 LYS A 34 3.678 11.228 12.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 1.646 10.590 11.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 1.405 12.237 11.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 1.701 11.729 10.223 1.00 0.00 H new ATOM 576 N THR A 35 4.457 16.700 9.061 1.00 0.00 N ATOM 577 CA THR A 35 5.431 17.737 9.358 1.00 0.00 C ATOM 578 C THR A 35 5.128 18.974 8.524 1.00 0.00 C ATOM 579 O THR A 35 5.411 20.101 8.932 1.00 0.00 O ATOM 580 CB THR A 35 6.848 17.241 9.069 1.00 0.00 C ATOM 581 OG1 THR A 35 7.138 16.081 9.828 1.00 0.00 O ATOM 582 CG2 THR A 35 7.917 18.269 9.375 1.00 0.00 C ATOM 0 H THR A 35 4.840 15.881 8.589 1.00 0.00 H new ATOM 0 HA THR A 35 5.366 17.990 10.416 1.00 0.00 H new ATOM 0 HB THR A 35 6.867 17.029 8.000 1.00 0.00 H new ATOM 0 HG1 THR A 35 7.066 15.289 9.255 1.00 0.00 H new ATOM 0 HG21 THR A 35 8.898 17.852 9.148 1.00 0.00 H new ATOM 0 HG22 THR A 35 7.751 19.159 8.767 1.00 0.00 H new ATOM 0 HG23 THR A 35 7.872 18.537 10.431 1.00 0.00 H new ATOM 590 N ALA A 36 4.533 18.750 7.354 1.00 0.00 N ATOM 591 CA ALA A 36 4.169 19.836 6.458 1.00 0.00 C ATOM 592 C ALA A 36 2.756 20.327 6.755 1.00 0.00 C ATOM 593 O ALA A 36 2.426 21.486 6.503 1.00 0.00 O ATOM 594 CB ALA A 36 4.283 19.388 5.009 1.00 0.00 C ATOM 0 H ALA A 36 4.294 17.821 7.007 1.00 0.00 H new ATOM 0 HA ALA A 36 4.860 20.663 6.621 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.007 20.212 4.351 1.00 0.00 H new ATOM 0 HB2 ALA A 36 5.309 19.085 4.801 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.614 18.545 4.835 1.00 0.00 H new ATOM 600 N GLU A 37 1.924 19.439 7.298 1.00 0.00 N ATOM 601 CA GLU A 37 0.549 19.787 7.633 1.00 0.00 C ATOM 602 C GLU A 37 0.487 20.552 8.951 1.00 0.00 C ATOM 603 O GLU A 37 -0.475 21.273 9.217 1.00 0.00 O ATOM 604 CB GLU A 37 -0.314 18.528 7.722 1.00 0.00 C ATOM 605 CG GLU A 37 -0.958 18.136 6.403 1.00 0.00 C ATOM 606 CD GLU A 37 -2.040 17.088 6.571 1.00 0.00 C ATOM 607 OE1 GLU A 37 -1.703 15.938 6.926 1.00 0.00 O ATOM 608 OE2 GLU A 37 -3.225 17.416 6.349 1.00 0.00 O ATOM 0 H GLU A 37 2.180 18.476 7.514 1.00 0.00 H new ATOM 0 HA GLU A 37 0.162 20.428 6.841 1.00 0.00 H new ATOM 0 HB2 GLU A 37 0.301 17.701 8.076 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -1.095 18.685 8.465 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -1.386 19.022 5.934 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -0.191 17.756 5.727 1.00 0.00 H new ATOM 615 N GLN A 38 1.519 20.390 9.775 1.00 0.00 N ATOM 616 CA GLN A 38 1.582 21.064 11.066 1.00 0.00 C ATOM 617 C GLN A 38 1.416 22.573 10.907 1.00 0.00 C ATOM 618 O GLN A 38 0.685 23.209 11.665 1.00 0.00 O ATOM 619 CB GLN A 38 2.909 20.753 11.763 1.00 0.00 C ATOM 620 CG GLN A 38 2.775 19.769 12.913 1.00 0.00 C ATOM 621 CD GLN A 38 4.103 19.156 13.313 1.00 0.00 C ATOM 622 OE1 GLN A 38 4.930 19.802 13.957 1.00 0.00 O ATOM 623 NE2 GLN A 38 4.314 17.901 12.930 1.00 0.00 N ATOM 0 H GLN A 38 2.323 19.797 9.570 1.00 0.00 H new ATOM 0 HA GLN A 38 0.761 20.693 11.680 1.00 0.00 H new ATOM 0 HB2 GLN A 38 3.609 20.350 11.031 1.00 0.00 H new ATOM 0 HB3 GLN A 38 3.339 21.682 12.138 1.00 0.00 H new ATOM 0 HG2 GLN A 38 2.340 20.278 13.773 1.00 0.00 H new ATOM 0 HG3 GLN A 38 2.084 18.976 12.629 1.00 0.00 H new ATOM 0 HE21 GLN A 38 3.600 17.403 12.397 1.00 0.00 H new ATOM 0 HE22 GLN A 38 5.190 17.435 13.169 1.00 0.00 H new ATOM 632 N GLN A 39 2.099 23.142 9.916 1.00 0.00 N ATOM 633 CA GLN A 39 2.022 24.575 9.667 1.00 0.00 C ATOM 634 C GLN A 39 1.494 24.867 8.266 1.00 0.00 C ATOM 635 O GLN A 39 0.937 25.936 8.015 1.00 0.00 O ATOM 636 CB GLN A 39 3.399 25.221 9.850 1.00 0.00 C ATOM 637 CG GLN A 39 4.372 24.923 8.720 1.00 0.00 C ATOM 638 CD GLN A 39 5.221 23.695 8.989 1.00 0.00 C ATOM 639 OE1 GLN A 39 6.150 23.733 9.796 1.00 0.00 O ATOM 640 NE2 GLN A 39 4.905 22.598 8.311 1.00 0.00 N ATOM 0 H GLN A 39 2.709 22.633 9.276 1.00 0.00 H new ATOM 0 HA GLN A 39 1.326 25.001 10.389 1.00 0.00 H new ATOM 0 HB2 GLN A 39 3.275 26.301 9.935 1.00 0.00 H new ATOM 0 HB3 GLN A 39 3.830 24.875 10.789 1.00 0.00 H new ATOM 0 HG2 GLN A 39 3.815 24.779 7.794 1.00 0.00 H new ATOM 0 HG3 GLN A 39 5.023 25.784 8.570 1.00 0.00 H new ATOM 0 HE21 GLN A 39 4.127 22.612 7.652 1.00 0.00 H new ATOM 0 HE22 GLN A 39 5.441 21.741 8.449 1.00 0.00 H new ATOM 649 N ASN A 40 1.688 23.918 7.352 1.00 0.00 N ATOM 650 CA ASN A 40 1.243 24.088 5.975 1.00 0.00 C ATOM 651 C ASN A 40 2.007 25.224 5.310 1.00 0.00 C ATOM 652 O ASN A 40 1.413 26.130 4.724 1.00 0.00 O ATOM 653 CB ASN A 40 -0.259 24.366 5.932 1.00 0.00 C ATOM 654 CG ASN A 40 -1.080 23.095 5.848 1.00 0.00 C ATOM 655 OD1 ASN A 40 -1.145 22.359 6.952 1.00 0.00 O flip ATOM 656 ND2 ASN A 40 -1.651 22.777 4.804 1.00 0.00 N flip ATOM 0 H ASN A 40 2.149 23.028 7.541 1.00 0.00 H new ATOM 0 HA ASN A 40 1.442 23.166 5.430 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -0.548 24.924 6.823 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -0.484 24.998 5.073 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -1.574 23.372 3.979 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -2.201 21.919 4.764 1.00 0.00 H new ATOM 663 N ALA A 41 3.332 25.167 5.411 1.00 0.00 N ATOM 664 CA ALA A 41 4.197 26.188 4.825 1.00 0.00 C ATOM 665 C ALA A 41 3.742 26.563 3.417 1.00 0.00 C ATOM 666 O ALA A 41 3.936 27.694 2.973 1.00 0.00 O ATOM 667 CB ALA A 41 5.639 25.706 4.803 1.00 0.00 C ATOM 0 H ALA A 41 3.832 24.422 5.895 1.00 0.00 H new ATOM 0 HA ALA A 41 4.130 27.081 5.446 1.00 0.00 H new ATOM 0 HB1 ALA A 41 6.273 26.476 4.364 1.00 0.00 H new ATOM 0 HB2 ALA A 41 5.970 25.501 5.821 1.00 0.00 H new ATOM 0 HB3 ALA A 41 5.709 24.795 4.208 1.00 0.00 H new ATOM 673 N SER A 42 3.134 25.605 2.723 1.00 0.00 N ATOM 674 CA SER A 42 2.649 25.837 1.369 1.00 0.00 C ATOM 675 C SER A 42 1.623 24.780 0.971 1.00 0.00 C ATOM 676 O SER A 42 1.915 23.586 0.966 1.00 0.00 O ATOM 677 CB SER A 42 3.816 25.833 0.380 1.00 0.00 C ATOM 678 OG SER A 42 4.159 27.151 -0.012 1.00 0.00 O ATOM 0 H SER A 42 2.966 24.663 3.076 1.00 0.00 H new ATOM 0 HA SER A 42 2.165 26.813 1.344 1.00 0.00 H new ATOM 0 HB2 SER A 42 4.680 25.349 0.835 1.00 0.00 H new ATOM 0 HB3 SER A 42 3.549 25.247 -0.499 1.00 0.00 H new ATOM 0 HG SER A 42 4.212 27.725 0.781 1.00 0.00 H new ATOM 684 N ASP A 43 0.418 25.231 0.630 1.00 0.00 N ATOM 685 CA ASP A 43 -0.652 24.329 0.221 1.00 0.00 C ATOM 686 C ASP A 43 -0.167 23.402 -0.883 1.00 0.00 C ATOM 687 O ASP A 43 -0.391 22.192 -0.842 1.00 0.00 O ATOM 688 CB ASP A 43 -1.870 25.125 -0.253 1.00 0.00 C ATOM 689 CG ASP A 43 -3.112 24.826 0.563 1.00 0.00 C ATOM 690 OD1 ASP A 43 -3.079 25.041 1.793 1.00 0.00 O ATOM 691 OD2 ASP A 43 -4.117 24.377 -0.027 1.00 0.00 O ATOM 0 H ASP A 43 0.159 26.218 0.629 1.00 0.00 H new ATOM 0 HA ASP A 43 -0.944 23.726 1.081 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -1.649 26.191 -0.195 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -2.064 24.897 -1.301 1.00 0.00 H new ATOM 696 N ALA A 44 0.518 23.980 -1.861 1.00 0.00 N ATOM 697 CA ALA A 44 1.059 23.210 -2.969 1.00 0.00 C ATOM 698 C ALA A 44 2.090 22.211 -2.460 1.00 0.00 C ATOM 699 O ALA A 44 2.296 21.155 -3.055 1.00 0.00 O ATOM 700 CB ALA A 44 1.679 24.134 -4.007 1.00 0.00 C ATOM 0 H ALA A 44 0.711 24.980 -1.908 1.00 0.00 H new ATOM 0 HA ALA A 44 0.245 22.660 -3.442 1.00 0.00 H new ATOM 0 HB1 ALA A 44 2.079 23.541 -4.829 1.00 0.00 H new ATOM 0 HB2 ALA A 44 0.919 24.816 -4.388 1.00 0.00 H new ATOM 0 HB3 ALA A 44 2.484 24.708 -3.548 1.00 0.00 H new ATOM 706 N GLU A 45 2.729 22.553 -1.343 1.00 0.00 N ATOM 707 CA GLU A 45 3.733 21.689 -0.737 1.00 0.00 C ATOM 708 C GLU A 45 3.068 20.581 0.066 1.00 0.00 C ATOM 709 O GLU A 45 3.495 19.427 0.025 1.00 0.00 O ATOM 710 CB GLU A 45 4.663 22.499 0.169 1.00 0.00 C ATOM 711 CG GLU A 45 5.778 23.208 -0.582 1.00 0.00 C ATOM 712 CD GLU A 45 7.154 22.866 -0.044 1.00 0.00 C ATOM 713 OE1 GLU A 45 7.543 21.682 -0.118 1.00 0.00 O ATOM 714 OE2 GLU A 45 7.843 23.783 0.451 1.00 0.00 O ATOM 0 H GLU A 45 2.567 23.425 -0.840 1.00 0.00 H new ATOM 0 HA GLU A 45 4.322 21.241 -1.537 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.074 23.239 0.712 1.00 0.00 H new ATOM 0 HB3 GLU A 45 5.103 21.834 0.912 1.00 0.00 H new ATOM 0 HG2 GLU A 45 5.728 22.940 -1.637 1.00 0.00 H new ATOM 0 HG3 GLU A 45 5.625 24.285 -0.519 1.00 0.00 H new ATOM 721 N VAL A 46 2.017 20.940 0.793 1.00 0.00 N ATOM 722 CA VAL A 46 1.291 19.970 1.603 1.00 0.00 C ATOM 723 C VAL A 46 0.367 19.116 0.738 1.00 0.00 C ATOM 724 O VAL A 46 -0.036 18.024 1.138 1.00 0.00 O ATOM 725 CB VAL A 46 0.460 20.653 2.704 1.00 0.00 C ATOM 726 CG1 VAL A 46 -0.055 19.621 3.698 1.00 0.00 C ATOM 727 CG2 VAL A 46 1.280 21.725 3.413 1.00 0.00 C ATOM 0 H VAL A 46 1.650 21.891 0.838 1.00 0.00 H new ATOM 0 HA VAL A 46 2.040 19.333 2.074 1.00 0.00 H new ATOM 0 HB VAL A 46 -0.397 21.138 2.237 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -0.641 20.120 4.470 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -0.682 18.897 3.178 1.00 0.00 H new ATOM 0 HG13 VAL A 46 0.789 19.106 4.158 1.00 0.00 H new ATOM 0 HG21 VAL A 46 0.673 22.195 4.187 1.00 0.00 H new ATOM 0 HG22 VAL A 46 2.159 21.269 3.868 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.595 22.479 2.691 1.00 0.00 H new ATOM 737 N SER A 47 0.038 19.618 -0.449 1.00 0.00 N ATOM 738 CA SER A 47 -0.834 18.896 -1.366 1.00 0.00 C ATOM 739 C SER A 47 -0.036 17.943 -2.245 1.00 0.00 C ATOM 740 O SER A 47 -0.583 16.985 -2.792 1.00 0.00 O ATOM 741 CB SER A 47 -1.624 19.876 -2.235 1.00 0.00 C ATOM 742 OG SER A 47 -2.808 20.298 -1.581 1.00 0.00 O ATOM 0 H SER A 47 0.362 20.520 -0.797 1.00 0.00 H new ATOM 0 HA SER A 47 -1.533 18.308 -0.771 1.00 0.00 H new ATOM 0 HB2 SER A 47 -1.004 20.742 -2.467 1.00 0.00 H new ATOM 0 HB3 SER A 47 -1.878 19.403 -3.184 1.00 0.00 H new ATOM 0 HG SER A 47 -3.294 20.925 -2.156 1.00 0.00 H new ATOM 748 N HIS A 48 1.256 18.207 -2.373 1.00 0.00 N ATOM 749 CA HIS A 48 2.125 17.368 -3.180 1.00 0.00 C ATOM 750 C HIS A 48 2.604 16.161 -2.381 1.00 0.00 C ATOM 751 O HIS A 48 2.860 15.095 -2.940 1.00 0.00 O ATOM 752 CB HIS A 48 3.317 18.182 -3.665 1.00 0.00 C ATOM 753 CG HIS A 48 3.859 17.731 -4.986 1.00 0.00 C ATOM 754 ND1 HIS A 48 3.055 17.338 -6.035 1.00 0.00 N ATOM 755 CD2 HIS A 48 5.134 17.611 -5.427 1.00 0.00 C ATOM 756 CE1 HIS A 48 3.810 16.996 -7.063 1.00 0.00 C ATOM 757 NE2 HIS A 48 5.075 17.153 -6.720 1.00 0.00 N ATOM 0 H HIS A 48 1.724 18.996 -1.928 1.00 0.00 H new ATOM 0 HA HIS A 48 1.561 17.006 -4.040 1.00 0.00 H new ATOM 0 HB2 HIS A 48 3.023 19.229 -3.742 1.00 0.00 H new ATOM 0 HB3 HIS A 48 4.110 18.127 -2.919 1.00 0.00 H new ATOM 0 HD2 HIS A 48 6.030 17.834 -4.866 1.00 0.00 H new ATOM 0 HE1 HIS A 48 3.453 16.647 -8.021 1.00 0.00 H new ATOM 0 HE2 HIS A 48 5.879 16.964 -7.319 1.00 0.00 H new ATOM 766 N MET A 49 2.719 16.338 -1.069 1.00 0.00 N ATOM 767 CA MET A 49 3.161 15.262 -0.192 1.00 0.00 C ATOM 768 C MET A 49 2.061 14.227 -0.011 1.00 0.00 C ATOM 769 O MET A 49 2.334 13.030 0.086 1.00 0.00 O ATOM 770 CB MET A 49 3.584 15.821 1.169 1.00 0.00 C ATOM 771 CG MET A 49 4.781 16.757 1.097 1.00 0.00 C ATOM 772 SD MET A 49 6.317 15.892 0.721 1.00 0.00 S ATOM 773 CE MET A 49 7.203 17.157 -0.187 1.00 0.00 C ATOM 0 H MET A 49 2.512 17.215 -0.591 1.00 0.00 H new ATOM 0 HA MET A 49 4.020 14.777 -0.657 1.00 0.00 H new ATOM 0 HB2 MET A 49 2.742 16.354 1.611 1.00 0.00 H new ATOM 0 HB3 MET A 49 3.821 14.992 1.835 1.00 0.00 H new ATOM 0 HG2 MET A 49 4.599 17.515 0.335 1.00 0.00 H new ATOM 0 HG3 MET A 49 4.886 17.280 2.048 1.00 0.00 H new ATOM 0 HE1 MET A 49 8.177 16.773 -0.490 1.00 0.00 H new ATOM 0 HE2 MET A 49 6.632 17.437 -1.072 1.00 0.00 H new ATOM 0 HE3 MET A 49 7.340 18.032 0.448 1.00 0.00 H new ATOM 783 N LYS A 50 0.817 14.689 0.022 1.00 0.00 N ATOM 784 CA LYS A 50 -0.314 13.787 0.180 1.00 0.00 C ATOM 785 C LYS A 50 -0.471 12.916 -1.054 1.00 0.00 C ATOM 786 O LYS A 50 -0.837 11.745 -0.955 1.00 0.00 O ATOM 787 CB LYS A 50 -1.603 14.559 0.426 1.00 0.00 C ATOM 788 CG LYS A 50 -1.528 15.517 1.605 1.00 0.00 C ATOM 789 CD LYS A 50 -2.493 16.680 1.439 1.00 0.00 C ATOM 790 CE LYS A 50 -3.919 16.273 1.774 1.00 0.00 C ATOM 791 NZ LYS A 50 -4.864 17.419 1.662 1.00 0.00 N ATOM 0 H LYS A 50 0.568 15.675 -0.058 1.00 0.00 H new ATOM 0 HA LYS A 50 -0.117 13.156 1.047 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -1.856 15.122 -0.472 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -2.413 13.850 0.596 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -1.757 14.981 2.526 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -0.511 15.897 1.702 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -2.187 17.503 2.085 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -2.450 17.047 0.413 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -4.236 15.474 1.103 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -3.954 15.871 2.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -5.825 17.101 1.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -4.577 18.171 2.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -4.850 17.786 0.689 1.00 0.00 H new ATOM 805 N LYS A 51 -0.177 13.485 -2.219 1.00 0.00 N ATOM 806 CA LYS A 51 -0.271 12.737 -3.465 1.00 0.00 C ATOM 807 C LYS A 51 0.577 11.477 -3.367 1.00 0.00 C ATOM 808 O LYS A 51 0.251 10.445 -3.955 1.00 0.00 O ATOM 809 CB LYS A 51 0.185 13.596 -4.647 1.00 0.00 C ATOM 810 CG LYS A 51 -0.963 14.220 -5.423 1.00 0.00 C ATOM 811 CD LYS A 51 -1.827 13.160 -6.086 1.00 0.00 C ATOM 812 CE LYS A 51 -2.874 13.784 -6.996 1.00 0.00 C ATOM 813 NZ LYS A 51 -3.914 14.519 -6.224 1.00 0.00 N ATOM 0 H LYS A 51 0.126 14.453 -2.325 1.00 0.00 H new ATOM 0 HA LYS A 51 -1.311 12.458 -3.632 1.00 0.00 H new ATOM 0 HB2 LYS A 51 0.837 14.388 -4.280 1.00 0.00 H new ATOM 0 HB3 LYS A 51 0.779 12.982 -5.324 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -1.575 14.821 -4.750 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -0.567 14.895 -6.182 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -1.197 12.485 -6.664 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -2.319 12.560 -5.321 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -2.389 14.467 -7.693 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -3.348 13.004 -7.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -4.618 14.915 -6.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -4.384 13.866 -5.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -3.468 15.290 -5.688 1.00 0.00 H new ATOM 827 N GLN A 52 1.656 11.567 -2.594 1.00 0.00 N ATOM 828 CA GLN A 52 2.540 10.432 -2.387 1.00 0.00 C ATOM 829 C GLN A 52 1.983 9.522 -1.294 1.00 0.00 C ATOM 830 O GLN A 52 2.386 8.367 -1.174 1.00 0.00 O ATOM 831 CB GLN A 52 3.943 10.910 -2.010 1.00 0.00 C ATOM 832 CG GLN A 52 4.584 11.801 -3.061 1.00 0.00 C ATOM 833 CD GLN A 52 5.158 11.012 -4.222 1.00 0.00 C ATOM 834 OE1 GLN A 52 6.266 10.483 -4.142 1.00 0.00 O ATOM 835 NE2 GLN A 52 4.403 10.931 -5.312 1.00 0.00 N ATOM 0 H GLN A 52 1.936 12.416 -2.102 1.00 0.00 H new ATOM 0 HA GLN A 52 2.603 9.867 -3.317 1.00 0.00 H new ATOM 0 HB2 GLN A 52 3.891 11.454 -1.067 1.00 0.00 H new ATOM 0 HB3 GLN A 52 4.581 10.042 -1.843 1.00 0.00 H new ATOM 0 HG2 GLN A 52 3.842 12.505 -3.437 1.00 0.00 H new ATOM 0 HG3 GLN A 52 5.377 12.389 -2.599 1.00 0.00 H new ATOM 0 HE21 GLN A 52 3.490 11.385 -5.335 1.00 0.00 H new ATOM 0 HE22 GLN A 52 4.736 10.415 -6.126 1.00 0.00 H new ATOM 844 N LYS A 53 1.047 10.049 -0.502 1.00 0.00 N ATOM 845 CA LYS A 53 0.429 9.282 0.572 1.00 0.00 C ATOM 846 C LYS A 53 -0.411 8.147 0.006 1.00 0.00 C ATOM 847 O LYS A 53 -0.133 6.971 0.239 1.00 0.00 O ATOM 848 CB LYS A 53 -0.451 10.190 1.422 1.00 0.00 C ATOM 849 CG LYS A 53 -0.653 9.691 2.845 1.00 0.00 C ATOM 850 CD LYS A 53 -2.110 9.786 3.269 1.00 0.00 C ATOM 851 CE LYS A 53 -2.612 11.220 3.227 1.00 0.00 C ATOM 852 NZ LYS A 53 -2.196 11.991 4.432 1.00 0.00 N ATOM 0 H LYS A 53 0.703 11.005 -0.587 1.00 0.00 H new ATOM 0 HA LYS A 53 1.221 8.860 1.191 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -0.006 11.184 1.455 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -1.424 10.292 0.941 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -0.318 8.656 2.919 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -0.036 10.275 3.527 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -2.722 9.166 2.613 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -2.223 9.390 4.278 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -2.231 11.712 2.332 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -3.699 11.222 3.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -2.558 12.963 4.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -2.581 11.537 5.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -1.158 12.012 4.490 1.00 0.00 H new ATOM 866 N LEU A 54 -1.435 8.518 -0.750 1.00 0.00 N ATOM 867 CA LEU A 54 -2.322 7.546 -1.370 1.00 0.00 C ATOM 868 C LEU A 54 -1.555 6.719 -2.388 1.00 0.00 C ATOM 869 O LEU A 54 -1.919 5.582 -2.685 1.00 0.00 O ATOM 870 CB LEU A 54 -3.500 8.251 -2.046 1.00 0.00 C ATOM 871 CG LEU A 54 -4.526 7.319 -2.694 1.00 0.00 C ATOM 872 CD1 LEU A 54 -5.712 7.101 -1.767 1.00 0.00 C ATOM 873 CD2 LEU A 54 -4.990 7.881 -4.030 1.00 0.00 C ATOM 0 H LEU A 54 -1.672 9.490 -0.949 1.00 0.00 H new ATOM 0 HA LEU A 54 -2.712 6.885 -0.595 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -4.009 8.868 -1.305 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -3.111 8.925 -2.809 1.00 0.00 H new ATOM 0 HG LEU A 54 -4.048 6.356 -2.873 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -6.430 6.436 -2.246 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -5.368 6.653 -0.835 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -6.189 8.058 -1.555 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -5.719 7.205 -4.476 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -5.449 8.858 -3.874 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -4.135 7.984 -4.698 1.00 0.00 H new ATOM 885 N LYS A 55 -0.477 7.297 -2.909 1.00 0.00 N ATOM 886 CA LYS A 55 0.355 6.606 -3.880 1.00 0.00 C ATOM 887 C LYS A 55 1.234 5.599 -3.168 1.00 0.00 C ATOM 888 O LYS A 55 1.306 4.434 -3.558 1.00 0.00 O ATOM 889 CB LYS A 55 1.208 7.599 -4.673 1.00 0.00 C ATOM 890 CG LYS A 55 0.561 8.055 -5.970 1.00 0.00 C ATOM 891 CD LYS A 55 1.394 9.120 -6.668 1.00 0.00 C ATOM 892 CE LYS A 55 1.915 8.630 -8.010 1.00 0.00 C ATOM 893 NZ LYS A 55 2.818 9.625 -8.652 1.00 0.00 N ATOM 0 H LYS A 55 -0.162 8.238 -2.674 1.00 0.00 H new ATOM 0 HA LYS A 55 -0.289 6.083 -4.587 1.00 0.00 H new ATOM 0 HB2 LYS A 55 1.409 8.471 -4.051 1.00 0.00 H new ATOM 0 HB3 LYS A 55 2.170 7.140 -4.898 1.00 0.00 H new ATOM 0 HG2 LYS A 55 0.433 7.200 -6.634 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -0.434 8.449 -5.762 1.00 0.00 H new ATOM 0 HD2 LYS A 55 0.791 10.016 -6.816 1.00 0.00 H new ATOM 0 HD3 LYS A 55 2.233 9.402 -6.032 1.00 0.00 H new ATOM 0 HE2 LYS A 55 2.450 7.691 -7.871 1.00 0.00 H new ATOM 0 HE3 LYS A 55 1.074 8.422 -8.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 3.152 9.253 -9.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 2.300 10.513 -8.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 3.634 9.804 -8.032 1.00 0.00 H new ATOM 907 N LEU A 56 1.865 6.043 -2.092 1.00 0.00 N ATOM 908 CA LEU A 56 2.696 5.161 -1.297 1.00 0.00 C ATOM 909 C LEU A 56 1.806 4.200 -0.522 1.00 0.00 C ATOM 910 O LEU A 56 2.286 3.234 0.069 1.00 0.00 O ATOM 911 CB LEU A 56 3.585 5.959 -0.343 1.00 0.00 C ATOM 912 CG LEU A 56 4.781 6.646 -1.003 1.00 0.00 C ATOM 913 CD1 LEU A 56 5.186 7.884 -0.220 1.00 0.00 C ATOM 914 CD2 LEU A 56 5.952 5.681 -1.119 1.00 0.00 C ATOM 0 H LEU A 56 1.816 7.004 -1.753 1.00 0.00 H new ATOM 0 HA LEU A 56 3.350 4.595 -1.960 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.976 6.716 0.150 1.00 0.00 H new ATOM 0 HB3 LEU A 56 3.952 5.289 0.434 1.00 0.00 H new ATOM 0 HG LEU A 56 4.489 6.956 -2.006 1.00 0.00 H new ATOM 0 HD11 LEU A 56 6.039 8.359 -0.705 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.351 8.584 -0.188 1.00 0.00 H new ATOM 0 HD13 LEU A 56 5.459 7.599 0.796 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.795 6.186 -1.591 1.00 0.00 H new ATOM 0 HD22 LEU A 56 6.243 5.341 -0.125 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.658 4.823 -1.724 1.00 0.00 H new ATOM 926 N LYS A 57 0.494 4.457 -0.552 1.00 0.00 N ATOM 927 CA LYS A 57 -0.455 3.587 0.122 1.00 0.00 C ATOM 928 C LYS A 57 -0.845 2.459 -0.817 1.00 0.00 C ATOM 929 O LYS A 57 -1.054 1.323 -0.396 1.00 0.00 O ATOM 930 CB LYS A 57 -1.704 4.359 0.553 1.00 0.00 C ATOM 931 CG LYS A 57 -2.798 3.469 1.125 1.00 0.00 C ATOM 932 CD LYS A 57 -2.730 3.415 2.643 1.00 0.00 C ATOM 933 CE LYS A 57 -3.549 2.261 3.198 1.00 0.00 C ATOM 934 NZ LYS A 57 -4.012 2.527 4.587 1.00 0.00 N ATOM 0 H LYS A 57 0.076 5.254 -1.032 1.00 0.00 H new ATOM 0 HA LYS A 57 0.015 3.183 1.019 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -1.423 5.102 1.299 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -2.100 4.903 -0.305 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -3.774 3.844 0.816 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -2.700 2.462 0.719 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -1.692 3.310 2.958 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -3.096 4.354 3.058 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -4.412 2.086 2.555 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -2.950 1.350 3.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -4.567 1.717 4.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -3.189 2.669 5.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -4.605 3.381 4.598 1.00 0.00 H new ATOM 948 N ASP A 58 -0.930 2.790 -2.099 1.00 0.00 N ATOM 949 CA ASP A 58 -1.280 1.818 -3.121 1.00 0.00 C ATOM 950 C ASP A 58 -0.337 0.626 -3.059 1.00 0.00 C ATOM 951 O ASP A 58 -0.747 -0.507 -3.288 1.00 0.00 O ATOM 952 CB ASP A 58 -1.230 2.461 -4.509 1.00 0.00 C ATOM 953 CG ASP A 58 -2.421 2.077 -5.366 1.00 0.00 C ATOM 954 OD1 ASP A 58 -2.692 0.864 -5.497 1.00 0.00 O ATOM 955 OD2 ASP A 58 -3.082 2.989 -5.906 1.00 0.00 O ATOM 0 H ASP A 58 -0.760 3.731 -2.455 1.00 0.00 H new ATOM 0 HA ASP A 58 -2.296 1.471 -2.936 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -1.196 3.545 -4.403 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -0.311 2.161 -5.013 1.00 0.00 H new ATOM 960 N GLU A 59 0.926 0.891 -2.739 1.00 0.00 N ATOM 961 CA GLU A 59 1.920 -0.172 -2.638 1.00 0.00 C ATOM 962 C GLU A 59 1.685 -1.009 -1.385 1.00 0.00 C ATOM 963 O GLU A 59 1.811 -2.233 -1.411 1.00 0.00 O ATOM 964 CB GLU A 59 3.335 0.411 -2.622 1.00 0.00 C ATOM 965 CG GLU A 59 3.507 1.581 -1.667 1.00 0.00 C ATOM 966 CD GLU A 59 4.956 1.998 -1.513 1.00 0.00 C ATOM 967 OE1 GLU A 59 5.723 1.855 -2.489 1.00 0.00 O ATOM 968 OE2 GLU A 59 5.324 2.468 -0.416 1.00 0.00 O ATOM 0 H GLU A 59 1.284 1.827 -2.546 1.00 0.00 H new ATOM 0 HA GLU A 59 1.818 -0.815 -3.512 1.00 0.00 H new ATOM 0 HB2 GLU A 59 4.039 -0.375 -2.348 1.00 0.00 H new ATOM 0 HB3 GLU A 59 3.595 0.735 -3.629 1.00 0.00 H new ATOM 0 HG2 GLU A 59 2.925 2.429 -2.028 1.00 0.00 H new ATOM 0 HG3 GLU A 59 3.105 1.311 -0.691 1.00 0.00 H new ATOM 975 N ILE A 60 1.329 -0.340 -0.292 1.00 0.00 N ATOM 976 CA ILE A 60 1.060 -1.024 0.966 1.00 0.00 C ATOM 977 C ILE A 60 -0.272 -1.759 0.890 1.00 0.00 C ATOM 978 O ILE A 60 -0.421 -2.854 1.427 1.00 0.00 O ATOM 979 CB ILE A 60 1.038 -0.040 2.156 1.00 0.00 C ATOM 980 CG1 ILE A 60 2.413 0.608 2.337 1.00 0.00 C ATOM 981 CG2 ILE A 60 0.611 -0.747 3.436 1.00 0.00 C ATOM 982 CD1 ILE A 60 3.487 -0.359 2.792 1.00 0.00 C ATOM 0 H ILE A 60 1.221 0.673 -0.253 1.00 0.00 H new ATOM 0 HA ILE A 60 1.866 -1.739 1.129 1.00 0.00 H new ATOM 0 HB ILE A 60 0.309 0.741 1.939 1.00 0.00 H new ATOM 0 HG12 ILE A 60 2.719 1.059 1.393 1.00 0.00 H new ATOM 0 HG13 ILE A 60 2.331 1.415 3.065 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.603 -0.034 4.260 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -0.388 -1.163 3.306 1.00 0.00 H new ATOM 0 HG23 ILE A 60 1.312 -1.551 3.659 1.00 0.00 H new ATOM 0 HD11 ILE A 60 4.433 0.172 2.898 1.00 0.00 H new ATOM 0 HD12 ILE A 60 3.204 -0.792 3.751 1.00 0.00 H new ATOM 0 HD13 ILE A 60 3.598 -1.153 2.054 1.00 0.00 H new ATOM 994 N HIS A 61 -1.232 -1.156 0.200 1.00 0.00 N ATOM 995 CA HIS A 61 -2.543 -1.771 0.039 1.00 0.00 C ATOM 996 C HIS A 61 -2.474 -2.828 -1.048 1.00 0.00 C ATOM 997 O HIS A 61 -3.100 -3.880 -0.948 1.00 0.00 O ATOM 998 CB HIS A 61 -3.596 -0.716 -0.306 1.00 0.00 C ATOM 999 CG HIS A 61 -4.500 -0.379 0.838 1.00 0.00 C ATOM 1000 ND1 HIS A 61 -4.302 -0.454 2.176 1.00 0.00 N flip ATOM 1001 CD2 HIS A 61 -5.782 0.100 0.669 1.00 0.00 C flip ATOM 1002 CE1 HIS A 61 -5.456 -0.024 2.782 1.00 0.00 C flip ATOM 1003 NE2 HIS A 61 -6.333 0.305 1.853 1.00 0.00 N flip ATOM 0 H HIS A 61 -1.129 -0.248 -0.254 1.00 0.00 H new ATOM 0 HA HIS A 61 -2.834 -2.240 0.979 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -3.094 0.191 -0.641 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -4.198 -1.074 -1.141 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -6.261 0.280 -0.282 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -5.620 0.035 3.848 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -7.276 0.657 2.020 1.00 0.00 H new ATOM 1012 N SER A 62 -1.688 -2.547 -2.079 1.00 0.00 N ATOM 1013 CA SER A 62 -1.516 -3.490 -3.175 1.00 0.00 C ATOM 1014 C SER A 62 -0.804 -4.741 -2.679 1.00 0.00 C ATOM 1015 O SER A 62 -1.020 -5.837 -3.196 1.00 0.00 O ATOM 1016 CB SER A 62 -0.720 -2.861 -4.320 1.00 0.00 C ATOM 1017 OG SER A 62 -0.388 -3.828 -5.302 1.00 0.00 O ATOM 0 H SER A 62 -1.162 -1.679 -2.179 1.00 0.00 H new ATOM 0 HA SER A 62 -2.504 -3.759 -3.550 1.00 0.00 H new ATOM 0 HB2 SER A 62 -1.303 -2.061 -4.776 1.00 0.00 H new ATOM 0 HB3 SER A 62 0.191 -2.408 -3.928 1.00 0.00 H new ATOM 0 HG SER A 62 0.119 -3.401 -6.024 1.00 0.00 H new ATOM 1023 N MET A 63 0.047 -4.571 -1.667 1.00 0.00 N ATOM 1024 CA MET A 63 0.788 -5.691 -1.104 1.00 0.00 C ATOM 1025 C MET A 63 -0.161 -6.761 -0.565 1.00 0.00 C ATOM 1026 O MET A 63 0.112 -7.955 -0.680 1.00 0.00 O ATOM 1027 CB MET A 63 1.714 -5.206 0.014 1.00 0.00 C ATOM 1028 CG MET A 63 3.116 -4.866 -0.464 1.00 0.00 C ATOM 1029 SD MET A 63 3.970 -6.286 -1.175 1.00 0.00 S ATOM 1030 CE MET A 63 5.037 -6.756 0.184 1.00 0.00 C ATOM 0 H MET A 63 0.237 -3.672 -1.225 1.00 0.00 H new ATOM 0 HA MET A 63 1.388 -6.132 -1.900 1.00 0.00 H new ATOM 0 HB2 MET A 63 1.275 -4.325 0.482 1.00 0.00 H new ATOM 0 HB3 MET A 63 1.778 -5.977 0.782 1.00 0.00 H new ATOM 0 HG2 MET A 63 3.059 -4.071 -1.208 1.00 0.00 H new ATOM 0 HG3 MET A 63 3.697 -4.479 0.373 1.00 0.00 H new ATOM 0 HE1 MET A 63 6.055 -6.888 -0.182 1.00 0.00 H new ATOM 0 HE2 MET A 63 5.023 -5.975 0.944 1.00 0.00 H new ATOM 0 HE3 MET A 63 4.683 -7.691 0.618 1.00 0.00 H new ATOM 1040 N ILE A 64 -1.272 -6.326 0.026 1.00 0.00 N ATOM 1041 CA ILE A 64 -2.251 -7.253 0.584 1.00 0.00 C ATOM 1042 C ILE A 64 -2.945 -8.048 -0.508 1.00 0.00 C ATOM 1043 O ILE A 64 -3.237 -9.229 -0.337 1.00 0.00 O ATOM 1044 CB ILE A 64 -3.297 -6.521 1.444 1.00 0.00 C ATOM 1045 CG1 ILE A 64 -3.836 -7.453 2.529 1.00 0.00 C ATOM 1046 CG2 ILE A 64 -4.443 -5.970 0.605 1.00 0.00 C ATOM 1047 CD1 ILE A 64 -3.051 -7.396 3.814 1.00 0.00 C ATOM 0 H ILE A 64 -1.515 -5.341 0.130 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.703 -7.945 1.223 1.00 0.00 H new ATOM 0 HB ILE A 64 -2.798 -5.673 1.913 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -4.875 -7.195 2.735 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -3.830 -8.476 2.154 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -5.157 -5.462 1.253 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -4.051 -5.264 -0.127 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -4.942 -6.789 0.088 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -3.489 -8.082 4.539 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -2.017 -7.683 3.622 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -3.078 -6.382 4.212 1.00 0.00 H new ATOM 1059 N ILE A 65 -3.187 -7.403 -1.638 1.00 0.00 N ATOM 1060 CA ILE A 65 -3.824 -8.072 -2.759 1.00 0.00 C ATOM 1061 C ILE A 65 -2.945 -9.220 -3.214 1.00 0.00 C ATOM 1062 O ILE A 65 -3.425 -10.310 -3.525 1.00 0.00 O ATOM 1063 CB ILE A 65 -4.049 -7.113 -3.939 1.00 0.00 C ATOM 1064 CG1 ILE A 65 -4.494 -5.727 -3.451 1.00 0.00 C ATOM 1065 CG2 ILE A 65 -5.068 -7.693 -4.908 1.00 0.00 C ATOM 1066 CD1 ILE A 65 -5.576 -5.757 -2.387 1.00 0.00 C ATOM 0 H ILE A 65 -2.954 -6.424 -1.802 1.00 0.00 H new ATOM 0 HA ILE A 65 -4.797 -8.437 -2.429 1.00 0.00 H new ATOM 0 HB ILE A 65 -3.100 -6.993 -4.462 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -3.627 -5.198 -3.056 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -4.856 -5.153 -4.304 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -5.216 -7.002 -5.738 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -4.704 -8.647 -5.291 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -6.015 -7.847 -4.391 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -5.831 -4.737 -2.099 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -6.461 -6.255 -2.782 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -5.213 -6.301 -1.515 1.00 0.00 H new ATOM 1078 N GLU A 66 -1.644 -8.968 -3.209 1.00 0.00 N ATOM 1079 CA GLU A 66 -0.672 -9.977 -3.577 1.00 0.00 C ATOM 1080 C GLU A 66 -0.428 -10.900 -2.389 1.00 0.00 C ATOM 1081 O GLU A 66 0.062 -12.018 -2.547 1.00 0.00 O ATOM 1082 CB GLU A 66 0.640 -9.325 -4.018 1.00 0.00 C ATOM 1083 CG GLU A 66 1.445 -10.172 -4.991 1.00 0.00 C ATOM 1084 CD GLU A 66 2.875 -10.387 -4.535 1.00 0.00 C ATOM 1085 OE1 GLU A 66 3.510 -9.407 -4.090 1.00 0.00 O ATOM 1086 OE2 GLU A 66 3.360 -11.534 -4.623 1.00 0.00 O ATOM 0 H GLU A 66 -1.240 -8.067 -2.952 1.00 0.00 H new ATOM 0 HA GLU A 66 -1.061 -10.557 -4.414 1.00 0.00 H new ATOM 0 HB2 GLU A 66 0.420 -8.364 -4.482 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.249 -9.121 -3.137 1.00 0.00 H new ATOM 0 HG2 GLU A 66 0.958 -11.139 -5.114 1.00 0.00 H new ATOM 0 HG3 GLU A 66 1.448 -9.691 -5.969 1.00 0.00 H new ATOM 1093 N TYR A 67 -0.784 -10.423 -1.192 1.00 0.00 N ATOM 1094 CA TYR A 67 -0.610 -11.213 0.021 1.00 0.00 C ATOM 1095 C TYR A 67 -1.759 -12.200 0.193 1.00 0.00 C ATOM 1096 O TYR A 67 -1.558 -13.338 0.619 1.00 0.00 O ATOM 1097 CB TYR A 67 -0.528 -10.306 1.248 1.00 0.00 C ATOM 1098 CG TYR A 67 0.211 -10.928 2.411 1.00 0.00 C ATOM 1099 CD1 TYR A 67 -0.449 -11.741 3.324 1.00 0.00 C ATOM 1100 CD2 TYR A 67 1.570 -10.703 2.596 1.00 0.00 C ATOM 1101 CE1 TYR A 67 0.223 -12.312 4.387 1.00 0.00 C ATOM 1102 CE2 TYR A 67 2.249 -11.271 3.658 1.00 0.00 C ATOM 1103 CZ TYR A 67 1.571 -12.074 4.550 1.00 0.00 C ATOM 1104 OH TYR A 67 2.245 -12.641 5.608 1.00 0.00 O ATOM 0 H TYR A 67 -1.191 -9.500 -1.042 1.00 0.00 H new ATOM 0 HA TYR A 67 0.323 -11.769 -0.074 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -0.033 -9.376 0.969 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -1.538 -10.047 1.566 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -1.505 -11.930 3.200 1.00 0.00 H new ATOM 0 HD2 TYR A 67 2.104 -10.074 1.899 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -0.305 -12.942 5.087 1.00 0.00 H new ATOM 0 HE2 TYR A 67 3.305 -11.087 3.788 1.00 0.00 H new ATOM 0 HH TYR A 67 3.187 -12.374 5.576 1.00 0.00 H new ATOM 1114 N ARG A 68 -2.964 -11.753 -0.141 1.00 0.00 N ATOM 1115 CA ARG A 68 -4.151 -12.590 -0.024 1.00 0.00 C ATOM 1116 C ARG A 68 -4.226 -13.595 -1.170 1.00 0.00 C ATOM 1117 O ARG A 68 -4.863 -14.641 -1.048 1.00 0.00 O ATOM 1118 CB ARG A 68 -5.412 -11.722 -0.003 1.00 0.00 C ATOM 1119 CG ARG A 68 -5.549 -10.817 -1.217 1.00 0.00 C ATOM 1120 CD ARG A 68 -6.616 -11.322 -2.176 1.00 0.00 C ATOM 1121 NE ARG A 68 -7.073 -10.276 -3.087 1.00 0.00 N ATOM 1122 CZ ARG A 68 -8.028 -10.450 -3.998 1.00 0.00 C ATOM 1123 NH1 ARG A 68 -8.631 -11.626 -4.122 1.00 0.00 N ATOM 1124 NH2 ARG A 68 -8.382 -9.444 -4.787 1.00 0.00 N ATOM 0 H ARG A 68 -3.144 -10.814 -0.496 1.00 0.00 H new ATOM 0 HA ARG A 68 -4.084 -13.143 0.913 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -6.287 -12.369 0.058 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -5.406 -11.109 0.898 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -5.800 -9.807 -0.892 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -4.592 -10.756 -1.736 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -6.219 -12.157 -2.753 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -7.464 -11.703 -1.607 1.00 0.00 H new ATOM 0 HE ARG A 68 -6.634 -9.357 -3.021 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -8.363 -12.403 -3.517 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -9.362 -11.753 -4.822 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -7.923 -8.538 -4.695 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -9.114 -9.577 -5.485 1.00 0.00 H new ATOM 1138 N GLU A 69 -3.569 -13.275 -2.282 1.00 0.00 N ATOM 1139 CA GLU A 69 -3.563 -14.156 -3.443 1.00 0.00 C ATOM 1140 C GLU A 69 -2.439 -15.184 -3.343 1.00 0.00 C ATOM 1141 O GLU A 69 -2.500 -16.239 -3.965 1.00 0.00 O ATOM 1142 CB GLU A 69 -3.416 -13.341 -4.731 1.00 0.00 C ATOM 1143 CG GLU A 69 -4.369 -13.768 -5.833 1.00 0.00 C ATOM 1144 CD GLU A 69 -4.746 -12.623 -6.753 1.00 0.00 C ATOM 1145 OE1 GLU A 69 -5.405 -11.673 -6.279 1.00 0.00 O ATOM 1146 OE2 GLU A 69 -4.382 -12.675 -7.947 1.00 0.00 O ATOM 0 H GLU A 69 -3.036 -12.414 -2.402 1.00 0.00 H new ATOM 0 HA GLU A 69 -4.514 -14.688 -3.467 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.583 -12.288 -4.506 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -2.392 -13.431 -5.093 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.908 -14.563 -6.419 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -5.272 -14.183 -5.386 1.00 0.00 H new ATOM 1153 N LYS A 70 -1.424 -14.874 -2.543 1.00 0.00 N ATOM 1154 CA LYS A 70 -0.302 -15.772 -2.344 1.00 0.00 C ATOM 1155 C LYS A 70 -0.594 -16.682 -1.166 1.00 0.00 C ATOM 1156 O LYS A 70 -0.267 -17.863 -1.182 1.00 0.00 O ATOM 1157 CB LYS A 70 0.988 -14.984 -2.101 1.00 0.00 C ATOM 1158 CG LYS A 70 1.020 -14.263 -0.763 1.00 0.00 C ATOM 1159 CD LYS A 70 2.367 -13.598 -0.520 1.00 0.00 C ATOM 1160 CE LYS A 70 2.580 -12.412 -1.447 1.00 0.00 C ATOM 1161 NZ LYS A 70 4.020 -12.050 -1.560 1.00 0.00 N ATOM 0 H LYS A 70 -1.360 -14.000 -2.021 1.00 0.00 H new ATOM 0 HA LYS A 70 -0.163 -16.373 -3.243 1.00 0.00 H new ATOM 0 HB2 LYS A 70 1.836 -15.666 -2.157 1.00 0.00 H new ATOM 0 HB3 LYS A 70 1.113 -14.254 -2.900 1.00 0.00 H new ATOM 0 HG2 LYS A 70 0.231 -13.511 -0.735 1.00 0.00 H new ATOM 0 HG3 LYS A 70 0.813 -14.972 0.039 1.00 0.00 H new ATOM 0 HD2 LYS A 70 2.428 -13.266 0.516 1.00 0.00 H new ATOM 0 HD3 LYS A 70 3.165 -14.325 -0.669 1.00 0.00 H new ATOM 0 HE2 LYS A 70 2.186 -12.648 -2.435 1.00 0.00 H new ATOM 0 HE3 LYS A 70 2.018 -11.555 -1.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 4.239 -11.801 -2.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 4.223 -11.237 -0.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 4.605 -12.859 -1.269 1.00 0.00 H new ATOM 1175 N GLN A 71 -1.232 -16.119 -0.146 1.00 0.00 N ATOM 1176 CA GLN A 71 -1.589 -16.884 1.036 1.00 0.00 C ATOM 1177 C GLN A 71 -2.741 -17.824 0.721 1.00 0.00 C ATOM 1178 O GLN A 71 -2.858 -18.893 1.311 1.00 0.00 O ATOM 1179 CB GLN A 71 -1.965 -15.954 2.189 1.00 0.00 C ATOM 1180 CG GLN A 71 -1.916 -16.624 3.553 1.00 0.00 C ATOM 1181 CD GLN A 71 -0.497 -16.854 4.037 1.00 0.00 C ATOM 1182 OE1 GLN A 71 0.363 -17.307 3.282 1.00 0.00 O ATOM 1183 NE2 GLN A 71 -0.246 -16.544 5.304 1.00 0.00 N ATOM 0 H GLN A 71 -1.511 -15.138 -0.117 1.00 0.00 H new ATOM 0 HA GLN A 71 -0.724 -17.473 1.340 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -1.290 -15.098 2.189 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -2.970 -15.567 2.020 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -2.448 -16.006 4.277 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -2.439 -17.579 3.504 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -0.989 -16.171 5.895 1.00 0.00 H new ATOM 0 HE22 GLN A 71 0.690 -16.679 5.686 1.00 0.00 H new ATOM 1192 N LYS A 72 -3.583 -17.434 -0.229 1.00 0.00 N ATOM 1193 CA LYS A 72 -4.703 -18.274 -0.616 1.00 0.00 C ATOM 1194 C LYS A 72 -4.294 -19.209 -1.744 1.00 0.00 C ATOM 1195 O LYS A 72 -4.864 -20.285 -1.914 1.00 0.00 O ATOM 1196 CB LYS A 72 -5.907 -17.425 -1.029 1.00 0.00 C ATOM 1197 CG LYS A 72 -7.242 -18.121 -0.821 1.00 0.00 C ATOM 1198 CD LYS A 72 -8.316 -17.143 -0.370 1.00 0.00 C ATOM 1199 CE LYS A 72 -8.065 -16.654 1.046 1.00 0.00 C ATOM 1200 NZ LYS A 72 -8.681 -15.321 1.292 1.00 0.00 N ATOM 0 H LYS A 72 -3.511 -16.553 -0.738 1.00 0.00 H new ATOM 0 HA LYS A 72 -4.996 -18.874 0.246 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -5.898 -16.496 -0.459 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -5.807 -17.155 -2.080 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -7.552 -18.601 -1.749 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -7.130 -18.909 -0.077 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -8.343 -16.292 -1.050 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -9.293 -17.624 -0.422 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -8.468 -17.376 1.756 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -6.991 -16.596 1.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -8.486 -15.024 2.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -8.278 -14.625 0.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -9.709 -15.381 1.147 1.00 0.00 H new ATOM 1214 N SER A 73 -3.284 -18.807 -2.497 1.00 0.00 N ATOM 1215 CA SER A 73 -2.779 -19.630 -3.579 1.00 0.00 C ATOM 1216 C SER A 73 -1.735 -20.582 -3.026 1.00 0.00 C ATOM 1217 O SER A 73 -1.635 -21.733 -3.450 1.00 0.00 O ATOM 1218 CB SER A 73 -2.167 -18.761 -4.670 1.00 0.00 C ATOM 1219 OG SER A 73 -1.612 -19.552 -5.706 1.00 0.00 O ATOM 0 H SER A 73 -2.799 -17.917 -2.378 1.00 0.00 H new ATOM 0 HA SER A 73 -3.601 -20.196 -4.016 1.00 0.00 H new ATOM 0 HB2 SER A 73 -2.930 -18.100 -5.082 1.00 0.00 H new ATOM 0 HB3 SER A 73 -1.393 -18.125 -4.240 1.00 0.00 H new ATOM 0 HG SER A 73 -1.228 -18.968 -6.393 1.00 0.00 H new ATOM 1225 N GLU A 74 -0.963 -20.087 -2.061 1.00 0.00 N ATOM 1226 CA GLU A 74 0.071 -20.895 -1.432 1.00 0.00 C ATOM 1227 C GLU A 74 -0.500 -21.696 -0.266 1.00 0.00 C ATOM 1228 O GLU A 74 -0.206 -22.883 -0.121 1.00 0.00 O ATOM 1229 CB GLU A 74 1.225 -20.015 -0.946 1.00 0.00 C ATOM 1230 CG GLU A 74 2.507 -20.787 -0.679 1.00 0.00 C ATOM 1231 CD GLU A 74 3.506 -19.992 0.137 1.00 0.00 C ATOM 1232 OE1 GLU A 74 3.213 -19.702 1.317 1.00 0.00 O ATOM 1233 OE2 GLU A 74 4.583 -19.659 -0.401 1.00 0.00 O ATOM 0 H GLU A 74 -1.035 -19.135 -1.701 1.00 0.00 H new ATOM 0 HA GLU A 74 0.452 -21.591 -2.179 1.00 0.00 H new ATOM 0 HB2 GLU A 74 1.423 -19.245 -1.692 1.00 0.00 H new ATOM 0 HB3 GLU A 74 0.921 -19.504 -0.032 1.00 0.00 H new ATOM 0 HG2 GLU A 74 2.267 -21.711 -0.153 1.00 0.00 H new ATOM 0 HG3 GLU A 74 2.962 -21.069 -1.629 1.00 0.00 H new ATOM 1240 N ARG A 75 -1.321 -21.053 0.566 1.00 0.00 N ATOM 1241 CA ARG A 75 -1.920 -21.737 1.704 1.00 0.00 C ATOM 1242 C ARG A 75 -3.267 -22.336 1.327 1.00 0.00 C ATOM 1243 O ARG A 75 -3.625 -23.419 1.789 1.00 0.00 O ATOM 1244 CB ARG A 75 -2.079 -20.789 2.894 1.00 0.00 C ATOM 1245 CG ARG A 75 -1.778 -21.440 4.236 1.00 0.00 C ATOM 1246 CD ARG A 75 -0.448 -20.969 4.803 1.00 0.00 C ATOM 1247 NE ARG A 75 -0.625 -20.123 5.981 1.00 0.00 N ATOM 1248 CZ ARG A 75 0.370 -19.487 6.594 1.00 0.00 C ATOM 1249 NH1 ARG A 75 1.614 -19.599 6.145 1.00 0.00 N ATOM 1250 NH2 ARG A 75 0.121 -18.737 7.659 1.00 0.00 N ATOM 0 H ARG A 75 -1.582 -20.071 0.472 1.00 0.00 H new ATOM 0 HA ARG A 75 -1.249 -22.545 1.996 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -1.417 -19.934 2.758 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -3.099 -20.404 2.907 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -2.577 -21.208 4.940 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -1.761 -22.524 4.119 1.00 0.00 H new ATOM 0 HD2 ARG A 75 0.161 -21.834 5.066 1.00 0.00 H new ATOM 0 HD3 ARG A 75 0.097 -20.416 4.038 1.00 0.00 H new ATOM 0 HE ARG A 75 -1.567 -20.013 6.356 1.00 0.00 H new ATOM 0 HH11 ARG A 75 1.811 -20.175 5.326 1.00 0.00 H new ATOM 0 HH12 ARG A 75 2.373 -19.109 6.619 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -0.833 -18.648 8.008 1.00 0.00 H new ATOM 0 HH22 ARG A 75 0.884 -18.249 8.129 1.00 0.00 H new ATOM 1264 N ALA A 76 -4.012 -21.622 0.483 1.00 0.00 N ATOM 1265 CA ALA A 76 -5.329 -22.085 0.043 1.00 0.00 C ATOM 1266 C ALA A 76 -6.142 -22.651 1.205 1.00 0.00 C ATOM 1267 O ALA A 76 -6.860 -21.868 1.861 1.00 0.00 O ATOM 1268 CB ALA A 76 -5.180 -23.127 -1.055 1.00 0.00 C ATOM 1269 OXT ALA A 76 -6.054 -23.873 1.449 1.00 0.00 O ATOM 0 H ALA A 76 -3.728 -20.724 0.091 1.00 0.00 H new ATOM 0 HA ALA A 76 -5.870 -21.225 -0.352 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -6.167 -23.463 -1.374 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -4.654 -22.689 -1.903 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -4.612 -23.977 -0.676 1.00 0.00 H new