USER MOD reduce.3.24.130724 H: found=0, std=0, add=660, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 557 hydrogens (30 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 NoAdj-H: A 39 HIS HE2 : A 39 HIS NE2 : A 201 HEMFE :(H bumps) USER MOD NoAdj-H: A 63 HIS HE2 : A 63 HIS NE2 : A 201 HEMFE :(H bumps) USER MOD Set 1.1: A 49 GLN : amide:sc= -0.394 K(o=-2.5,f=-4.4!) USER MOD Set 1.2: A 57 ASN : amide:sc= -2.15 K(o=-2.5,f=-0.45) USER MOD Set 2.1: A 45 HIS : no HE2:sc= 0.28 K(o=-1.6,f=-7.2!) USER MOD Set 2.2: A 201 HEM CMD :methyl 150:sc= -1.85 (180deg=-1) USER MOD Set 3.1: A 30 TYR OH : rot 3:sc= 1.04 USER MOD Set 3.2: A 71 SER OG : rot -89:sc= 1.9 USER MOD Set 4.1: A 26 HIS : no HD1:sc= -0.561 X(o=-0.52,f=-0.85) USER MOD Set 4.2: A 55 THR OG1 : rot -71:sc= 0.0382 USER MOD Set 5.1: A 21 THR OG1 : rot -64:sc= 1.37 USER MOD Set 5.2: A 33 THR OG1 : rot -42:sc= -0.164 USER MOD Set 6.1: A 15 HIS : no HD1:sc= -1.8 K(o=-0.58,f=-5.2!) USER MOD Set 6.2: A 20 SER OG : rot -92:sc= 1.22 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 0:sc= 0.89 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.00166 USER MOD Single : A 13 GLN : amide:sc= 0.392 K(o=0.39,f=-0.18) USER MOD Single : A 14 LYS NZ :NH3+ -171:sc= 2.37 (180deg=2.05) USER MOD Single : A 16 ASN : amide:sc= -0.232 K(o=-0.23,f=-1.4) USER MOD Single : A 17 ASN : amide:sc= -0.177! C(o=-0.18!,f=-4!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 175:sc= 1.14 (180deg=1.05) USER MOD Single : A 34 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0631) USER MOD Single : A 64 SER OG : rot 130:sc= 1.28 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.012 USER MOD Single : A 72 LYS NZ :NH3+ 171:sc= 0.963 (180deg=0.716) USER MOD Single : A 73 THR OG1 : rot -39:sc= 0.775 USER MOD Single : A 80 HIS : no HD1:sc= -2.1 K(o=-2.1,f=-7.6!) USER MOD Single : A 201 HEM CMA :methyl -30:sc= -0.0693 (180deg=-0.915) USER MOD Single : A 201 HEM CMB :methyl -30:sc= -3.29 (180deg=-3.42) USER MOD Single : A 201 HEM CMC :methyl -30:sc= -0.0216 (180deg=-2.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 3 2.617 2.578 -18.855 1.00 0.00 N ATOM 2 CA ALA A 3 2.420 1.181 -18.401 1.00 0.00 C ATOM 3 C ALA A 3 2.477 1.106 -16.871 1.00 0.00 C ATOM 4 O ALA A 3 2.783 2.118 -16.247 1.00 0.00 O ATOM 5 CB ALA A 3 3.465 0.261 -19.044 1.00 0.00 C ATOM 0 HA ALA A 3 1.434 0.841 -18.717 1.00 0.00 H new ATOM 0 HB1 ALA A 3 3.309 -0.762 -18.702 1.00 0.00 H new ATOM 0 HB2 ALA A 3 3.366 0.300 -20.129 1.00 0.00 H new ATOM 0 HB3 ALA A 3 4.464 0.590 -18.759 1.00 0.00 H new ATOM 13 N VAL A 4 2.191 -0.060 -16.284 1.00 0.00 N ATOM 14 CA VAL A 4 2.265 -0.306 -14.844 1.00 0.00 C ATOM 15 C VAL A 4 2.905 -1.669 -14.568 1.00 0.00 C ATOM 16 O VAL A 4 2.871 -2.551 -15.425 1.00 0.00 O ATOM 17 CB VAL A 4 0.866 -0.259 -14.202 1.00 0.00 C ATOM 18 CG1 VAL A 4 0.323 1.174 -14.156 1.00 0.00 C ATOM 19 CG2 VAL A 4 -0.146 -1.174 -14.906 1.00 0.00 C ATOM 0 H VAL A 4 1.894 -0.880 -16.813 1.00 0.00 H new ATOM 0 HA VAL A 4 2.879 0.480 -14.404 1.00 0.00 H new ATOM 0 HB VAL A 4 0.992 -0.630 -13.185 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -0.666 1.174 -13.697 1.00 0.00 H new ATOM 0 HG12 VAL A 4 0.995 1.799 -13.568 1.00 0.00 H new ATOM 0 HG13 VAL A 4 0.253 1.569 -15.169 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -1.113 -1.098 -14.409 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -0.249 -0.869 -15.948 1.00 0.00 H new ATOM 0 HG23 VAL A 4 0.204 -2.205 -14.862 1.00 0.00 H new ATOM 29 N LYS A 5 3.459 -1.843 -13.365 1.00 0.00 N ATOM 30 CA LYS A 5 3.905 -3.138 -12.872 1.00 0.00 C ATOM 31 C LYS A 5 2.896 -3.689 -11.862 1.00 0.00 C ATOM 32 O LYS A 5 2.768 -3.211 -10.740 1.00 0.00 O ATOM 33 CB LYS A 5 5.320 -3.036 -12.282 1.00 0.00 C ATOM 34 CG LYS A 5 5.800 -4.414 -11.791 1.00 0.00 C ATOM 35 CD LYS A 5 7.248 -4.401 -11.279 1.00 0.00 C ATOM 36 CE LYS A 5 8.280 -4.328 -12.410 1.00 0.00 C ATOM 37 NZ LYS A 5 9.655 -4.406 -11.868 1.00 0.00 N ATOM 0 H LYS A 5 3.609 -1.080 -12.705 1.00 0.00 H new ATOM 0 HA LYS A 5 3.958 -3.841 -13.704 1.00 0.00 H new ATOM 0 HB2 LYS A 5 6.008 -2.652 -13.035 1.00 0.00 H new ATOM 0 HB3 LYS A 5 5.325 -2.326 -11.455 1.00 0.00 H new ATOM 0 HG2 LYS A 5 5.142 -4.758 -10.993 1.00 0.00 H new ATOM 0 HG3 LYS A 5 5.716 -5.133 -12.606 1.00 0.00 H new ATOM 0 HD2 LYS A 5 7.385 -3.549 -10.613 1.00 0.00 H new ATOM 0 HD3 LYS A 5 7.427 -5.299 -10.688 1.00 0.00 H new ATOM 0 HE2 LYS A 5 8.114 -5.144 -13.114 1.00 0.00 H new ATOM 0 HE3 LYS A 5 8.154 -3.398 -12.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 10.340 -4.355 -12.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 9.816 -3.613 -11.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 9.777 -5.305 -11.359 1.00 0.00 H new ATOM 47 N TYR A 6 2.166 -4.712 -12.277 1.00 0.00 N ATOM 48 CA TYR A 6 1.376 -5.520 -11.365 1.00 0.00 C ATOM 49 C TYR A 6 2.305 -6.337 -10.463 1.00 0.00 C ATOM 50 O TYR A 6 3.394 -6.740 -10.870 1.00 0.00 O ATOM 51 CB TYR A 6 0.511 -6.474 -12.186 1.00 0.00 C ATOM 52 CG TYR A 6 -0.271 -5.837 -13.328 1.00 0.00 C ATOM 53 CD1 TYR A 6 -1.491 -5.182 -13.089 1.00 0.00 C ATOM 54 CD2 TYR A 6 0.267 -5.836 -14.631 1.00 0.00 C ATOM 55 CE1 TYR A 6 -2.145 -4.488 -14.122 1.00 0.00 C ATOM 56 CE2 TYR A 6 -0.382 -5.137 -15.663 1.00 0.00 C ATOM 57 CZ TYR A 6 -1.579 -4.453 -15.405 1.00 0.00 C ATOM 58 OH TYR A 6 -2.179 -3.741 -16.396 1.00 0.00 O ATOM 0 H TYR A 6 2.105 -5.004 -13.252 1.00 0.00 H new ATOM 0 HA TYR A 6 0.750 -4.875 -10.748 1.00 0.00 H new ATOM 0 HB2 TYR A 6 1.152 -7.253 -12.599 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -0.195 -6.964 -11.515 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -1.930 -5.212 -12.103 1.00 0.00 H new ATOM 0 HD2 TYR A 6 1.181 -6.374 -14.837 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -3.080 -3.983 -13.928 1.00 0.00 H new ATOM 0 HE2 TYR A 6 0.042 -5.126 -16.656 1.00 0.00 H new ATOM 0 HH TYR A 6 -1.655 -3.823 -17.220 1.00 0.00 H new ATOM 67 N TYR A 7 1.838 -6.599 -9.250 1.00 0.00 N ATOM 68 CA TYR A 7 2.428 -7.516 -8.300 1.00 0.00 C ATOM 69 C TYR A 7 1.293 -8.392 -7.789 1.00 0.00 C ATOM 70 O TYR A 7 0.249 -7.873 -7.400 1.00 0.00 O ATOM 71 CB TYR A 7 3.080 -6.737 -7.155 1.00 0.00 C ATOM 72 CG TYR A 7 3.948 -5.587 -7.591 1.00 0.00 C ATOM 73 CD1 TYR A 7 3.369 -4.320 -7.747 1.00 0.00 C ATOM 74 CD2 TYR A 7 5.321 -5.768 -7.813 1.00 0.00 C ATOM 75 CE1 TYR A 7 4.158 -3.245 -8.166 1.00 0.00 C ATOM 76 CE2 TYR A 7 6.130 -4.653 -8.089 1.00 0.00 C ATOM 77 CZ TYR A 7 5.541 -3.395 -8.307 1.00 0.00 C ATOM 78 OH TYR A 7 6.282 -2.339 -8.744 1.00 0.00 O ATOM 0 H TYR A 7 0.995 -6.152 -8.889 1.00 0.00 H new ATOM 0 HA TYR A 7 3.208 -8.124 -8.758 1.00 0.00 H new ATOM 0 HB2 TYR A 7 2.296 -6.355 -6.501 1.00 0.00 H new ATOM 0 HB3 TYR A 7 3.683 -7.425 -6.562 1.00 0.00 H new ATOM 0 HD1 TYR A 7 2.318 -4.175 -7.544 1.00 0.00 H new ATOM 0 HD2 TYR A 7 5.753 -6.757 -7.772 1.00 0.00 H new ATOM 0 HE1 TYR A 7 3.697 -2.293 -8.382 1.00 0.00 H new ATOM 0 HE2 TYR A 7 7.204 -4.762 -8.134 1.00 0.00 H new ATOM 0 HH TYR A 7 5.694 -1.572 -8.906 1.00 0.00 H new ATOM 87 N THR A 8 1.463 -9.710 -7.815 1.00 0.00 N ATOM 88 CA THR A 8 0.463 -10.590 -7.228 1.00 0.00 C ATOM 89 C THR A 8 0.523 -10.440 -5.715 1.00 0.00 C ATOM 90 O THR A 8 1.570 -10.157 -5.131 1.00 0.00 O ATOM 91 CB THR A 8 0.695 -12.038 -7.663 1.00 0.00 C ATOM 92 OG1 THR A 8 2.035 -12.398 -7.394 1.00 0.00 O ATOM 93 CG2 THR A 8 0.427 -12.183 -9.162 1.00 0.00 C ATOM 0 H THR A 8 2.267 -10.183 -8.227 1.00 0.00 H new ATOM 0 HA THR A 8 -0.532 -10.314 -7.576 1.00 0.00 H new ATOM 0 HB THR A 8 0.017 -12.690 -7.112 1.00 0.00 H new ATOM 0 HG1 THR A 8 2.186 -13.326 -7.670 1.00 0.00 H new ATOM 0 HG21 THR A 8 0.595 -13.217 -9.463 1.00 0.00 H new ATOM 0 HG22 THR A 8 -0.605 -11.906 -9.376 1.00 0.00 H new ATOM 0 HG23 THR A 8 1.100 -11.530 -9.717 1.00 0.00 H new ATOM 101 N LEU A 9 -0.617 -10.625 -5.069 1.00 0.00 N ATOM 102 CA LEU A 9 -0.797 -10.596 -3.631 1.00 0.00 C ATOM 103 C LEU A 9 0.173 -11.527 -2.914 1.00 0.00 C ATOM 104 O LEU A 9 0.491 -11.278 -1.765 1.00 0.00 O ATOM 105 CB LEU A 9 -2.206 -11.058 -3.370 1.00 0.00 C ATOM 106 CG LEU A 9 -2.772 -10.835 -1.959 1.00 0.00 C ATOM 107 CD1 LEU A 9 -3.003 -9.351 -1.654 1.00 0.00 C ATOM 108 CD2 LEU A 9 -4.106 -11.581 -1.854 1.00 0.00 C ATOM 0 H LEU A 9 -1.489 -10.810 -5.565 1.00 0.00 H new ATOM 0 HA LEU A 9 -0.609 -9.589 -3.257 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -2.863 -10.555 -4.080 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -2.257 -12.125 -3.589 1.00 0.00 H new ATOM 0 HG LEU A 9 -2.047 -11.208 -1.236 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -3.403 -9.245 -0.646 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -2.058 -8.813 -1.728 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -3.712 -8.938 -2.371 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.526 -11.436 -0.859 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -4.799 -11.194 -2.601 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -3.943 -12.645 -2.028 1.00 0.00 H new ATOM 119 N GLU A 10 0.634 -12.604 -3.560 1.00 0.00 N ATOM 120 CA GLU A 10 1.773 -13.362 -3.037 1.00 0.00 C ATOM 121 C GLU A 10 2.904 -12.375 -2.711 1.00 0.00 C ATOM 122 O GLU A 10 3.385 -12.304 -1.580 1.00 0.00 O ATOM 123 CB GLU A 10 2.262 -14.437 -4.035 1.00 0.00 C ATOM 124 CG GLU A 10 3.774 -14.673 -3.810 1.00 0.00 C ATOM 125 CD GLU A 10 4.390 -15.956 -4.332 1.00 0.00 C ATOM 126 OE1 GLU A 10 3.669 -16.768 -4.945 1.00 0.00 O ATOM 127 OE2 GLU A 10 5.614 -16.064 -4.078 1.00 0.00 O ATOM 0 H GLU A 10 0.243 -12.965 -4.430 1.00 0.00 H new ATOM 0 HA GLU A 10 1.460 -13.891 -2.137 1.00 0.00 H new ATOM 0 HB2 GLU A 10 1.709 -15.365 -3.891 1.00 0.00 H new ATOM 0 HB3 GLU A 10 2.079 -14.113 -5.059 1.00 0.00 H new ATOM 0 HG2 GLU A 10 4.311 -13.839 -4.262 1.00 0.00 H new ATOM 0 HG3 GLU A 10 3.961 -14.628 -2.737 1.00 0.00 H new ATOM 132 N GLU A 11 3.310 -11.604 -3.722 1.00 0.00 N ATOM 133 CA GLU A 11 4.349 -10.603 -3.610 1.00 0.00 C ATOM 134 C GLU A 11 3.948 -9.617 -2.538 1.00 0.00 C ATOM 135 O GLU A 11 4.617 -9.518 -1.516 1.00 0.00 O ATOM 136 CB GLU A 11 4.662 -9.958 -4.978 1.00 0.00 C ATOM 137 CG GLU A 11 6.162 -9.650 -5.135 1.00 0.00 C ATOM 138 CD GLU A 11 7.018 -10.851 -5.537 1.00 0.00 C ATOM 139 OE1 GLU A 11 6.834 -11.937 -4.942 1.00 0.00 O ATOM 140 OE2 GLU A 11 7.867 -10.661 -6.433 1.00 0.00 O ATOM 0 H GLU A 11 2.911 -11.667 -4.658 1.00 0.00 H new ATOM 0 HA GLU A 11 5.290 -11.059 -3.304 1.00 0.00 H new ATOM 0 HB2 GLU A 11 4.343 -10.627 -5.777 1.00 0.00 H new ATOM 0 HB3 GLU A 11 4.089 -9.037 -5.085 1.00 0.00 H new ATOM 0 HG2 GLU A 11 6.283 -8.867 -5.884 1.00 0.00 H new ATOM 0 HG3 GLU A 11 6.538 -9.251 -4.193 1.00 0.00 H new ATOM 145 N ILE A 12 2.789 -8.983 -2.705 1.00 0.00 N ATOM 146 CA ILE A 12 2.295 -8.025 -1.725 1.00 0.00 C ATOM 147 C ILE A 12 2.352 -8.563 -0.291 1.00 0.00 C ATOM 148 O ILE A 12 2.828 -7.873 0.612 1.00 0.00 O ATOM 149 CB ILE A 12 0.905 -7.480 -2.107 1.00 0.00 C ATOM 150 CG1 ILE A 12 0.706 -7.208 -3.612 1.00 0.00 C ATOM 151 CG2 ILE A 12 0.647 -6.161 -1.381 1.00 0.00 C ATOM 152 CD1 ILE A 12 -0.718 -6.768 -3.940 1.00 0.00 C ATOM 0 H ILE A 12 2.177 -9.117 -3.510 1.00 0.00 H new ATOM 0 HA ILE A 12 2.977 -7.175 -1.745 1.00 0.00 H new ATOM 0 HB ILE A 12 0.211 -8.269 -1.817 1.00 0.00 H new ATOM 0 HG12 ILE A 12 1.405 -6.437 -3.935 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.944 -8.110 -4.176 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.337 -5.781 -1.655 1.00 0.00 H new ATOM 0 HG22 ILE A 12 0.685 -6.325 -0.304 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.408 -5.434 -1.665 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -0.806 -6.589 -5.012 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.418 -7.550 -3.644 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -0.949 -5.850 -3.399 1.00 0.00 H new ATOM 163 N GLN A 13 1.981 -9.826 -0.084 1.00 0.00 N ATOM 164 CA GLN A 13 2.025 -10.417 1.251 1.00 0.00 C ATOM 165 C GLN A 13 3.424 -10.511 1.853 1.00 0.00 C ATOM 166 O GLN A 13 3.565 -10.582 3.073 1.00 0.00 O ATOM 167 CB GLN A 13 1.420 -11.817 1.227 1.00 0.00 C ATOM 168 CG GLN A 13 -0.113 -11.772 1.348 1.00 0.00 C ATOM 169 CD GLN A 13 -0.613 -11.216 2.677 1.00 0.00 C ATOM 170 OE1 GLN A 13 -0.729 -11.941 3.656 1.00 0.00 O ATOM 171 NE2 GLN A 13 -0.941 -9.931 2.741 1.00 0.00 N ATOM 0 H GLN A 13 1.650 -10.454 -0.816 1.00 0.00 H new ATOM 0 HA GLN A 13 1.448 -9.740 1.881 1.00 0.00 H new ATOM 0 HB2 GLN A 13 1.698 -12.319 0.300 1.00 0.00 H new ATOM 0 HB3 GLN A 13 1.833 -12.407 2.045 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -0.514 -11.164 0.537 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -0.508 -12.779 1.216 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -0.840 -9.337 1.918 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -1.294 -9.538 3.613 1.00 0.00 H new ATOM 178 N LYS A 14 4.452 -10.562 1.013 1.00 0.00 N ATOM 179 CA LYS A 14 5.824 -10.700 1.462 1.00 0.00 C ATOM 180 C LYS A 14 6.425 -9.332 1.870 1.00 0.00 C ATOM 181 O LYS A 14 7.439 -9.286 2.563 1.00 0.00 O ATOM 182 CB LYS A 14 6.626 -11.413 0.357 1.00 0.00 C ATOM 183 CG LYS A 14 6.283 -12.914 0.282 1.00 0.00 C ATOM 184 CD LYS A 14 7.034 -13.683 -0.827 1.00 0.00 C ATOM 185 CE LYS A 14 6.680 -13.117 -2.208 1.00 0.00 C ATOM 186 NZ LYS A 14 7.070 -13.970 -3.351 1.00 0.00 N ATOM 0 H LYS A 14 4.352 -10.508 -0.001 1.00 0.00 H new ATOM 0 HA LYS A 14 5.868 -11.309 2.365 1.00 0.00 H new ATOM 0 HB2 LYS A 14 6.418 -10.944 -0.604 1.00 0.00 H new ATOM 0 HB3 LYS A 14 7.693 -11.292 0.546 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.508 -13.375 1.244 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.210 -13.022 0.120 1.00 0.00 H new ATOM 0 HD2 LYS A 14 8.109 -13.611 -0.663 1.00 0.00 H new ATOM 0 HD3 LYS A 14 6.775 -14.741 -0.784 1.00 0.00 H new ATOM 0 HE2 LYS A 14 5.604 -12.949 -2.250 1.00 0.00 H new ATOM 0 HE3 LYS A 14 7.159 -12.144 -2.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 6.932 -13.446 -4.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 8.071 -14.238 -3.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 6.482 -14.828 -3.361 1.00 0.00 H new ATOM 196 N HIS A 15 5.800 -8.213 1.465 1.00 0.00 N ATOM 197 CA HIS A 15 6.231 -6.848 1.786 1.00 0.00 C ATOM 198 C HIS A 15 5.349 -6.210 2.870 1.00 0.00 C ATOM 199 O HIS A 15 4.421 -5.460 2.584 1.00 0.00 O ATOM 200 CB HIS A 15 6.207 -5.994 0.521 1.00 0.00 C ATOM 201 CG HIS A 15 7.129 -6.435 -0.593 1.00 0.00 C ATOM 202 ND1 HIS A 15 8.380 -5.942 -0.923 1.00 0.00 N ATOM 203 CD2 HIS A 15 6.743 -7.254 -1.614 1.00 0.00 C ATOM 204 CE1 HIS A 15 8.756 -6.530 -2.072 1.00 0.00 C ATOM 205 NE2 HIS A 15 7.791 -7.338 -2.533 1.00 0.00 N ATOM 0 H HIS A 15 4.958 -8.238 0.890 1.00 0.00 H new ATOM 0 HA HIS A 15 7.246 -6.899 2.179 1.00 0.00 H new ATOM 0 HB2 HIS A 15 5.187 -5.977 0.137 1.00 0.00 H new ATOM 0 HB3 HIS A 15 6.462 -4.970 0.793 1.00 0.00 H new ATOM 0 HD2 HIS A 15 5.789 -7.753 -1.697 1.00 0.00 H new ATOM 0 HE1 HIS A 15 9.707 -6.373 -2.558 1.00 0.00 H new ATOM 0 HE2 HIS A 15 7.817 -7.901 -3.383 1.00 0.00 H new ATOM 212 N ASN A 16 5.675 -6.466 4.132 1.00 0.00 N ATOM 213 CA ASN A 16 4.954 -5.932 5.291 1.00 0.00 C ATOM 214 C ASN A 16 5.838 -5.905 6.544 1.00 0.00 C ATOM 215 O ASN A 16 5.428 -6.311 7.628 1.00 0.00 O ATOM 216 CB ASN A 16 3.643 -6.706 5.495 1.00 0.00 C ATOM 217 CG ASN A 16 3.820 -8.215 5.409 1.00 0.00 C ATOM 218 OD1 ASN A 16 4.908 -8.753 5.588 1.00 0.00 O ATOM 219 ND2 ASN A 16 2.753 -8.915 5.059 1.00 0.00 N ATOM 0 H ASN A 16 6.463 -7.062 4.387 1.00 0.00 H new ATOM 0 HA ASN A 16 4.691 -4.892 5.097 1.00 0.00 H new ATOM 0 HB2 ASN A 16 3.225 -6.450 6.469 1.00 0.00 H new ATOM 0 HB3 ASN A 16 2.920 -6.388 4.744 1.00 0.00 H new ATOM 0 HD21 ASN A 16 2.824 -9.925 4.932 1.00 0.00 H new ATOM 0 HD22 ASN A 16 1.859 -8.445 4.916 1.00 0.00 H new ATOM 225 N ASN A 17 7.065 -5.403 6.391 1.00 0.00 N ATOM 226 CA ASN A 17 8.031 -5.297 7.476 1.00 0.00 C ATOM 227 C ASN A 17 8.854 -3.998 7.311 1.00 0.00 C ATOM 228 O ASN A 17 8.304 -2.976 6.900 1.00 0.00 O ATOM 229 CB ASN A 17 8.821 -6.618 7.476 1.00 0.00 C ATOM 230 CG ASN A 17 9.714 -6.803 8.691 1.00 0.00 C ATOM 231 OD1 ASN A 17 10.915 -6.581 8.597 1.00 0.00 O ATOM 232 ND2 ASN A 17 9.153 -7.178 9.829 1.00 0.00 N ATOM 0 H ASN A 17 7.416 -5.056 5.498 1.00 0.00 H new ATOM 0 HA ASN A 17 7.587 -5.191 8.466 1.00 0.00 H new ATOM 0 HB2 ASN A 17 8.118 -7.450 7.424 1.00 0.00 H new ATOM 0 HB3 ASN A 17 9.435 -6.663 6.576 1.00 0.00 H new ATOM 0 HD21 ASN A 17 9.724 -7.291 10.666 1.00 0.00 H new ATOM 0 HD22 ASN A 17 8.149 -7.354 9.869 1.00 0.00 H new ATOM 238 N SER A 18 10.160 -4.029 7.594 1.00 0.00 N ATOM 239 CA SER A 18 11.103 -2.925 7.367 1.00 0.00 C ATOM 240 C SER A 18 11.705 -3.066 5.965 1.00 0.00 C ATOM 241 O SER A 18 12.049 -2.093 5.309 1.00 0.00 O ATOM 242 CB SER A 18 12.194 -2.943 8.445 1.00 0.00 C ATOM 243 OG SER A 18 11.606 -2.879 9.731 1.00 0.00 O ATOM 0 H SER A 18 10.607 -4.851 8.001 1.00 0.00 H new ATOM 0 HA SER A 18 10.585 -1.968 7.432 1.00 0.00 H new ATOM 0 HB2 SER A 18 12.791 -3.850 8.354 1.00 0.00 H new ATOM 0 HB3 SER A 18 12.871 -2.100 8.303 1.00 0.00 H new ATOM 0 HG SER A 18 12.309 -2.893 10.413 1.00 0.00 H new ATOM 248 N LYS A 19 11.807 -4.325 5.534 1.00 0.00 N ATOM 249 CA LYS A 19 12.057 -4.824 4.197 1.00 0.00 C ATOM 250 C LYS A 19 11.434 -3.915 3.116 1.00 0.00 C ATOM 251 O LYS A 19 12.115 -3.413 2.228 1.00 0.00 O ATOM 252 CB LYS A 19 11.344 -6.189 4.195 1.00 0.00 C ATOM 253 CG LYS A 19 11.916 -7.273 5.118 1.00 0.00 C ATOM 254 CD LYS A 19 13.165 -7.924 4.507 1.00 0.00 C ATOM 255 CE LYS A 19 13.674 -9.043 5.424 1.00 0.00 C ATOM 256 NZ LYS A 19 14.881 -9.694 4.869 1.00 0.00 N ATOM 0 H LYS A 19 11.704 -5.097 6.192 1.00 0.00 H new ATOM 0 HA LYS A 19 13.122 -4.872 3.970 1.00 0.00 H new ATOM 0 HB2 LYS A 19 10.301 -6.027 4.468 1.00 0.00 H new ATOM 0 HB3 LYS A 19 11.351 -6.574 3.175 1.00 0.00 H new ATOM 0 HG2 LYS A 19 12.167 -6.835 6.084 1.00 0.00 H new ATOM 0 HG3 LYS A 19 11.158 -8.035 5.300 1.00 0.00 H new ATOM 0 HD2 LYS A 19 12.930 -8.328 3.522 1.00 0.00 H new ATOM 0 HD3 LYS A 19 13.944 -7.175 4.367 1.00 0.00 H new ATOM 0 HE2 LYS A 19 13.901 -8.633 6.408 1.00 0.00 H new ATOM 0 HE3 LYS A 19 12.889 -9.787 5.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 15.198 -10.445 5.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 14.657 -10.106 3.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 15.637 -8.988 4.761 1.00 0.00 H new ATOM 266 N SER A 20 10.115 -3.754 3.241 1.00 0.00 N ATOM 267 CA SER A 20 9.169 -2.976 2.449 1.00 0.00 C ATOM 268 C SER A 20 7.871 -2.991 3.254 1.00 0.00 C ATOM 269 O SER A 20 7.661 -3.927 4.034 1.00 0.00 O ATOM 270 CB SER A 20 8.828 -3.685 1.140 1.00 0.00 C ATOM 271 OG SER A 20 9.697 -3.430 0.059 1.00 0.00 O ATOM 0 H SER A 20 9.626 -4.230 4.000 1.00 0.00 H new ATOM 0 HA SER A 20 9.584 -1.990 2.241 1.00 0.00 H new ATOM 0 HB2 SER A 20 8.813 -4.759 1.324 1.00 0.00 H new ATOM 0 HB3 SER A 20 7.819 -3.398 0.846 1.00 0.00 H new ATOM 0 HG SER A 20 9.356 -2.675 -0.464 1.00 0.00 H new ATOM 276 N THR A 21 6.986 -2.022 3.036 1.00 0.00 N ATOM 277 CA THR A 21 5.701 -1.976 3.712 1.00 0.00 C ATOM 278 C THR A 21 4.599 -1.693 2.696 1.00 0.00 C ATOM 279 O THR A 21 4.220 -0.539 2.489 1.00 0.00 O ATOM 280 CB THR A 21 5.781 -0.925 4.829 1.00 0.00 C ATOM 281 OG1 THR A 21 7.057 -0.995 5.447 1.00 0.00 O ATOM 282 CG2 THR A 21 4.693 -1.162 5.873 1.00 0.00 C ATOM 0 H THR A 21 7.142 -1.251 2.387 1.00 0.00 H new ATOM 0 HA THR A 21 5.456 -2.933 4.173 1.00 0.00 H new ATOM 0 HB THR A 21 5.632 0.063 4.393 1.00 0.00 H new ATOM 0 HG1 THR A 21 7.162 -1.866 5.884 1.00 0.00 H new ATOM 0 HG21 THR A 21 4.768 -0.406 6.655 1.00 0.00 H new ATOM 0 HG22 THR A 21 3.714 -1.098 5.399 1.00 0.00 H new ATOM 0 HG23 THR A 21 4.819 -2.152 6.312 1.00 0.00 H new ATOM 290 N TRP A 22 4.120 -2.756 2.039 1.00 0.00 N ATOM 291 CA TRP A 22 3.133 -2.665 0.973 1.00 0.00 C ATOM 292 C TRP A 22 1.733 -2.451 1.474 1.00 0.00 C ATOM 293 O TRP A 22 1.439 -2.645 2.641 1.00 0.00 O ATOM 294 CB TRP A 22 3.269 -3.773 -0.084 1.00 0.00 C ATOM 295 CG TRP A 22 4.485 -3.713 -0.963 1.00 0.00 C ATOM 296 CD1 TRP A 22 5.587 -2.980 -0.725 1.00 0.00 C ATOM 297 CD2 TRP A 22 4.767 -4.431 -2.203 1.00 0.00 C ATOM 298 NE1 TRP A 22 6.531 -3.203 -1.706 1.00 0.00 N ATOM 299 CE2 TRP A 22 6.079 -4.098 -2.651 1.00 0.00 C ATOM 300 CE3 TRP A 22 4.038 -5.317 -3.013 1.00 0.00 C ATOM 301 CZ2 TRP A 22 6.615 -4.629 -3.837 1.00 0.00 C ATOM 302 CZ3 TRP A 22 4.611 -5.954 -4.117 1.00 0.00 C ATOM 303 CH2 TRP A 22 5.895 -5.601 -4.542 1.00 0.00 C ATOM 0 H TRP A 22 4.415 -3.712 2.240 1.00 0.00 H new ATOM 0 HA TRP A 22 3.370 -1.749 0.432 1.00 0.00 H new ATOM 0 HB2 TRP A 22 3.265 -4.735 0.428 1.00 0.00 H new ATOM 0 HB3 TRP A 22 2.385 -3.747 -0.722 1.00 0.00 H new ATOM 0 HD1 TRP A 22 5.715 -2.312 0.114 1.00 0.00 H new ATOM 0 HE1 TRP A 22 7.450 -2.760 -1.729 1.00 0.00 H new ATOM 0 HE3 TRP A 22 3.003 -5.512 -2.775 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 7.574 -4.290 -4.201 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 4.061 -6.720 -4.643 1.00 0.00 H new ATOM 0 HH2 TRP A 22 6.329 -6.075 -5.410 1.00 0.00 H new ATOM 313 N LEU A 23 0.862 -2.011 0.580 1.00 0.00 N ATOM 314 CA LEU A 23 -0.551 -1.962 0.818 1.00 0.00 C ATOM 315 C LEU A 23 -1.279 -1.881 -0.515 1.00 0.00 C ATOM 316 O LEU A 23 -0.625 -1.627 -1.520 1.00 0.00 O ATOM 317 CB LEU A 23 -0.931 -0.847 1.796 1.00 0.00 C ATOM 318 CG LEU A 23 -0.112 0.353 2.279 1.00 0.00 C ATOM 319 CD1 LEU A 23 -0.918 1.640 2.000 1.00 0.00 C ATOM 320 CD2 LEU A 23 0.032 0.328 3.813 1.00 0.00 C ATOM 0 H LEU A 23 1.133 -1.675 -0.344 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.869 -2.879 1.313 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -1.838 -0.411 1.377 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.220 -1.368 2.709 1.00 0.00 H new ATOM 0 HG LEU A 23 0.855 0.319 1.778 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.349 2.506 2.338 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -1.108 1.726 0.930 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.867 1.598 2.535 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.617 1.188 4.138 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.956 0.367 4.272 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.537 -0.589 4.116 1.00 0.00 H new ATOM 331 N ILE A 24 -2.597 -2.109 -0.542 1.00 0.00 N ATOM 332 CA ILE A 24 -3.403 -1.828 -1.730 1.00 0.00 C ATOM 333 C ILE A 24 -4.413 -0.742 -1.395 1.00 0.00 C ATOM 334 O ILE A 24 -5.172 -0.913 -0.447 1.00 0.00 O ATOM 335 CB ILE A 24 -4.167 -3.057 -2.268 1.00 0.00 C ATOM 336 CG1 ILE A 24 -3.258 -4.236 -2.634 1.00 0.00 C ATOM 337 CG2 ILE A 24 -5.000 -2.699 -3.502 1.00 0.00 C ATOM 338 CD1 ILE A 24 -3.895 -5.615 -2.432 1.00 0.00 C ATOM 0 H ILE A 24 -3.125 -2.487 0.245 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.709 -1.516 -2.510 1.00 0.00 H new ATOM 0 HB ILE A 24 -4.811 -3.366 -1.444 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -2.958 -4.137 -3.677 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -2.349 -4.178 -2.035 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -5.525 -3.586 -3.856 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -5.725 -1.928 -3.241 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -4.343 -2.328 -4.289 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -3.183 -6.390 -2.715 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -4.169 -5.739 -1.384 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -4.787 -5.698 -3.053 1.00 0.00 H new ATOM 349 N LEU A 25 -4.449 0.342 -2.170 1.00 0.00 N ATOM 350 CA LEU A 25 -5.548 1.298 -2.105 1.00 0.00 C ATOM 351 C LEU A 25 -6.201 1.262 -3.501 1.00 0.00 C ATOM 352 O LEU A 25 -5.578 1.633 -4.494 1.00 0.00 O ATOM 353 CB LEU A 25 -5.129 2.703 -1.606 1.00 0.00 C ATOM 354 CG LEU A 25 -4.048 2.750 -0.517 1.00 0.00 C ATOM 355 CD1 LEU A 25 -3.650 4.200 -0.225 1.00 0.00 C ATOM 356 CD2 LEU A 25 -4.536 2.159 0.802 1.00 0.00 C ATOM 0 H LEU A 25 -3.727 0.578 -2.851 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.277 1.021 -1.343 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.776 3.278 -2.462 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -6.017 3.209 -1.227 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.208 2.169 -0.897 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.883 4.218 0.549 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.260 4.660 -1.133 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.523 4.755 0.117 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.738 2.214 1.543 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.399 2.723 1.156 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -4.820 1.118 0.651 1.00 0.00 H new ATOM 367 N HIS A 26 -7.420 0.725 -3.607 1.00 0.00 N ATOM 368 CA HIS A 26 -8.199 0.669 -4.848 1.00 0.00 C ATOM 369 C HIS A 26 -7.471 -0.097 -5.974 1.00 0.00 C ATOM 370 O HIS A 26 -7.240 0.430 -7.062 1.00 0.00 O ATOM 371 CB HIS A 26 -8.612 2.098 -5.249 1.00 0.00 C ATOM 372 CG HIS A 26 -9.213 2.877 -4.102 1.00 0.00 C ATOM 373 ND1 HIS A 26 -10.530 2.831 -3.701 1.00 0.00 N ATOM 374 CD2 HIS A 26 -8.511 3.544 -3.130 1.00 0.00 C ATOM 375 CE1 HIS A 26 -10.615 3.457 -2.515 1.00 0.00 C ATOM 376 NE2 HIS A 26 -9.405 3.868 -2.106 1.00 0.00 N ATOM 0 H HIS A 26 -7.905 0.307 -2.813 1.00 0.00 H new ATOM 0 HA HIS A 26 -9.105 0.090 -4.671 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -7.739 2.631 -5.627 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -9.333 2.048 -6.065 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -7.457 3.777 -3.152 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -11.532 3.609 -1.966 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -9.182 4.326 -1.222 1.00 0.00 H new ATOM 383 N TYR A 27 -7.067 -1.344 -5.694 1.00 0.00 N ATOM 384 CA TYR A 27 -6.275 -2.229 -6.563 1.00 0.00 C ATOM 385 C TYR A 27 -4.834 -1.783 -6.828 1.00 0.00 C ATOM 386 O TYR A 27 -4.031 -2.595 -7.293 1.00 0.00 O ATOM 387 CB TYR A 27 -6.931 -2.496 -7.917 1.00 0.00 C ATOM 388 CG TYR A 27 -8.437 -2.662 -7.908 1.00 0.00 C ATOM 389 CD1 TYR A 27 -9.017 -3.718 -7.182 1.00 0.00 C ATOM 390 CD2 TYR A 27 -9.254 -1.807 -8.669 1.00 0.00 C ATOM 391 CE1 TYR A 27 -10.397 -3.965 -7.272 1.00 0.00 C ATOM 392 CE2 TYR A 27 -10.640 -2.037 -8.734 1.00 0.00 C ATOM 393 CZ TYR A 27 -11.208 -3.118 -8.041 1.00 0.00 C ATOM 394 OH TYR A 27 -12.544 -3.352 -8.132 1.00 0.00 O ATOM 0 H TYR A 27 -7.297 -1.788 -4.805 1.00 0.00 H new ATOM 0 HA TYR A 27 -6.241 -3.141 -5.967 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -6.681 -1.674 -8.587 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -6.489 -3.398 -8.340 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -8.399 -4.341 -6.553 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -8.818 -0.975 -9.203 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -10.832 -4.805 -6.750 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -11.268 -1.381 -9.318 1.00 0.00 H new ATOM 0 HH TYR A 27 -12.957 -2.671 -8.703 1.00 0.00 H new ATOM 403 N LYS A 28 -4.502 -0.514 -6.588 1.00 0.00 N ATOM 404 CA LYS A 28 -3.152 -0.018 -6.767 1.00 0.00 C ATOM 405 C LYS A 28 -2.326 -0.327 -5.525 1.00 0.00 C ATOM 406 O LYS A 28 -2.860 -0.271 -4.424 1.00 0.00 O ATOM 407 CB LYS A 28 -3.194 1.469 -7.086 1.00 0.00 C ATOM 408 CG LYS A 28 -3.480 1.633 -8.581 1.00 0.00 C ATOM 409 CD LYS A 28 -3.741 3.110 -8.864 1.00 0.00 C ATOM 410 CE LYS A 28 -3.555 3.472 -10.342 1.00 0.00 C ATOM 411 NZ LYS A 28 -4.346 2.592 -11.222 1.00 0.00 N ATOM 0 H LYS A 28 -5.165 0.191 -6.265 1.00 0.00 H new ATOM 0 HA LYS A 28 -2.671 -0.517 -7.608 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -3.966 1.962 -6.496 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -2.246 1.940 -6.827 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -2.634 1.278 -9.170 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -4.343 1.033 -8.870 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -4.757 3.360 -8.558 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -3.067 3.716 -8.258 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -3.851 4.509 -10.503 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -2.500 3.397 -10.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -4.262 2.919 -12.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -3.990 1.618 -11.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -5.344 2.618 -10.932 1.00 0.00 H new ATOM 421 N VAL A 29 -1.055 -0.679 -5.712 1.00 0.00 N ATOM 422 CA VAL A 29 -0.155 -1.152 -4.651 1.00 0.00 C ATOM 423 C VAL A 29 0.790 -0.026 -4.221 1.00 0.00 C ATOM 424 O VAL A 29 1.241 0.752 -5.061 1.00 0.00 O ATOM 425 CB VAL A 29 0.624 -2.407 -5.067 1.00 0.00 C ATOM 426 CG1 VAL A 29 1.587 -2.868 -3.964 1.00 0.00 C ATOM 427 CG2 VAL A 29 -0.340 -3.576 -5.232 1.00 0.00 C ATOM 0 H VAL A 29 -0.607 -0.644 -6.628 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.769 -1.439 -3.797 1.00 0.00 H new ATOM 0 HB VAL A 29 1.156 -2.148 -5.982 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.120 -3.759 -4.296 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.303 -2.074 -3.751 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.022 -3.099 -3.061 1.00 0.00 H new ATOM 0 HG21 VAL A 29 0.215 -4.466 -5.527 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -0.850 -3.763 -4.287 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -1.075 -3.336 -6.000 1.00 0.00 H new ATOM 437 N TYR A 30 1.099 0.033 -2.922 1.00 0.00 N ATOM 438 CA TYR A 30 1.727 1.125 -2.213 1.00 0.00 C ATOM 439 C TYR A 30 2.849 0.694 -1.269 1.00 0.00 C ATOM 440 O TYR A 30 2.512 0.128 -0.244 1.00 0.00 O ATOM 441 CB TYR A 30 0.576 1.615 -1.348 1.00 0.00 C ATOM 442 CG TYR A 30 -0.399 2.494 -2.067 1.00 0.00 C ATOM 443 CD1 TYR A 30 -0.172 3.871 -2.140 1.00 0.00 C ATOM 444 CD2 TYR A 30 -1.468 1.917 -2.763 1.00 0.00 C ATOM 445 CE1 TYR A 30 -1.072 4.678 -2.842 1.00 0.00 C ATOM 446 CE2 TYR A 30 -2.341 2.726 -3.505 1.00 0.00 C ATOM 447 CZ TYR A 30 -2.167 4.117 -3.513 1.00 0.00 C ATOM 448 OH TYR A 30 -3.046 4.916 -4.179 1.00 0.00 O ATOM 0 H TYR A 30 0.896 -0.749 -2.300 1.00 0.00 H new ATOM 0 HA TYR A 30 2.181 1.835 -2.904 1.00 0.00 H new ATOM 0 HB2 TYR A 30 0.044 0.752 -0.948 1.00 0.00 H new ATOM 0 HB3 TYR A 30 0.982 2.162 -0.497 1.00 0.00 H new ATOM 0 HD1 TYR A 30 0.691 4.308 -1.659 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -1.620 0.848 -2.729 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -0.922 5.747 -2.868 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -3.146 2.278 -4.069 1.00 0.00 H new ATOM 0 HH TYR A 30 -2.744 5.847 -4.130 1.00 0.00 H new ATOM 457 N ASP A 31 4.115 1.046 -1.520 1.00 0.00 N ATOM 458 CA ASP A 31 5.266 0.675 -0.650 1.00 0.00 C ATOM 459 C ASP A 31 5.748 1.881 0.159 1.00 0.00 C ATOM 460 O ASP A 31 6.379 2.790 -0.382 1.00 0.00 O ATOM 461 CB ASP A 31 6.461 0.069 -1.407 1.00 0.00 C ATOM 462 CG ASP A 31 7.487 -0.574 -0.456 1.00 0.00 C ATOM 463 OD1 ASP A 31 7.356 -0.382 0.776 1.00 0.00 O ATOM 464 OD2 ASP A 31 8.322 -1.362 -0.962 1.00 0.00 O ATOM 0 H ASP A 31 4.384 1.599 -2.334 1.00 0.00 H new ATOM 0 HA ASP A 31 4.881 -0.102 0.011 1.00 0.00 H new ATOM 0 HB2 ASP A 31 6.100 -0.681 -2.111 1.00 0.00 H new ATOM 0 HB3 ASP A 31 6.950 0.847 -1.993 1.00 0.00 H new ATOM 468 N LEU A 32 5.457 1.886 1.459 1.00 0.00 N ATOM 469 CA LEU A 32 5.534 3.112 2.254 1.00 0.00 C ATOM 470 C LEU A 32 6.563 3.137 3.382 1.00 0.00 C ATOM 471 O LEU A 32 6.536 4.055 4.200 1.00 0.00 O ATOM 472 CB LEU A 32 4.122 3.394 2.762 1.00 0.00 C ATOM 473 CG LEU A 32 3.097 3.200 1.636 1.00 0.00 C ATOM 474 CD1 LEU A 32 1.744 3.649 2.121 1.00 0.00 C ATOM 475 CD2 LEU A 32 3.328 4.064 0.405 1.00 0.00 C ATOM 0 H LEU A 32 5.167 1.060 1.982 1.00 0.00 H new ATOM 0 HA LEU A 32 5.909 3.900 1.601 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.888 2.728 3.593 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.063 4.413 3.144 1.00 0.00 H new ATOM 0 HG LEU A 32 3.181 2.145 1.374 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.010 3.514 1.327 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.453 3.056 2.988 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.788 4.702 2.400 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.555 3.857 -0.335 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.289 5.116 0.686 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.306 3.838 -0.020 1.00 0.00 H new ATOM 486 N THR A 33 7.497 2.183 3.389 1.00 0.00 N ATOM 487 CA THR A 33 8.558 1.959 4.384 1.00 0.00 C ATOM 488 C THR A 33 9.229 3.189 5.009 1.00 0.00 C ATOM 489 O THR A 33 9.653 3.120 6.157 1.00 0.00 O ATOM 490 CB THR A 33 9.585 1.034 3.755 1.00 0.00 C ATOM 491 OG1 THR A 33 8.870 -0.136 3.484 1.00 0.00 O ATOM 492 CG2 THR A 33 10.748 0.652 4.663 1.00 0.00 C ATOM 0 H THR A 33 7.537 1.490 2.641 1.00 0.00 H new ATOM 0 HA THR A 33 8.060 1.522 5.250 1.00 0.00 H new ATOM 0 HB THR A 33 10.031 1.537 2.897 1.00 0.00 H new ATOM 0 HG1 THR A 33 8.286 -0.345 4.242 1.00 0.00 H new ATOM 0 HG21 THR A 33 11.427 -0.010 4.125 1.00 0.00 H new ATOM 0 HG22 THR A 33 11.283 1.552 4.967 1.00 0.00 H new ATOM 0 HG23 THR A 33 10.367 0.140 5.547 1.00 0.00 H new ATOM 500 N LYS A 34 9.340 4.300 4.278 1.00 0.00 N ATOM 501 CA LYS A 34 9.874 5.559 4.805 1.00 0.00 C ATOM 502 C LYS A 34 8.785 6.525 5.247 1.00 0.00 C ATOM 503 O LYS A 34 8.944 7.260 6.215 1.00 0.00 O ATOM 504 CB LYS A 34 10.705 6.242 3.716 1.00 0.00 C ATOM 505 CG LYS A 34 11.921 5.379 3.401 1.00 0.00 C ATOM 506 CD LYS A 34 12.800 6.073 2.353 1.00 0.00 C ATOM 507 CE LYS A 34 14.086 5.288 2.067 1.00 0.00 C ATOM 508 NZ LYS A 34 13.801 3.949 1.508 1.00 0.00 N ATOM 0 H LYS A 34 9.061 4.353 3.298 1.00 0.00 H new ATOM 0 HA LYS A 34 10.476 5.310 5.679 1.00 0.00 H new ATOM 0 HB2 LYS A 34 10.103 6.386 2.819 1.00 0.00 H new ATOM 0 HB3 LYS A 34 11.022 7.230 4.049 1.00 0.00 H new ATOM 0 HG2 LYS A 34 12.496 5.201 4.310 1.00 0.00 H new ATOM 0 HG3 LYS A 34 11.600 4.405 3.031 1.00 0.00 H new ATOM 0 HD2 LYS A 34 12.235 6.192 1.428 1.00 0.00 H new ATOM 0 HD3 LYS A 34 13.056 7.074 2.701 1.00 0.00 H new ATOM 0 HE2 LYS A 34 14.706 5.849 1.368 1.00 0.00 H new ATOM 0 HE3 LYS A 34 14.660 5.183 2.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 14.693 3.490 1.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 13.319 3.369 2.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 13.190 4.045 0.672 1.00 0.00 H new ATOM 518 N PHE A 35 7.652 6.512 4.548 1.00 0.00 N ATOM 519 CA PHE A 35 6.527 7.351 4.951 1.00 0.00 C ATOM 520 C PHE A 35 6.116 7.016 6.385 1.00 0.00 C ATOM 521 O PHE A 35 5.758 7.896 7.158 1.00 0.00 O ATOM 522 CB PHE A 35 5.365 7.226 3.973 1.00 0.00 C ATOM 523 CG PHE A 35 4.200 8.115 4.342 1.00 0.00 C ATOM 524 CD1 PHE A 35 4.419 9.484 4.584 1.00 0.00 C ATOM 525 CD2 PHE A 35 2.899 7.589 4.433 1.00 0.00 C ATOM 526 CE1 PHE A 35 3.341 10.342 4.827 1.00 0.00 C ATOM 527 CE2 PHE A 35 1.820 8.445 4.702 1.00 0.00 C ATOM 528 CZ PHE A 35 2.039 9.827 4.862 1.00 0.00 C ATOM 0 H PHE A 35 7.490 5.943 3.717 1.00 0.00 H new ATOM 0 HA PHE A 35 6.838 8.395 4.927 1.00 0.00 H new ATOM 0 HB2 PHE A 35 5.709 7.481 2.971 1.00 0.00 H new ATOM 0 HB3 PHE A 35 5.031 6.189 3.941 1.00 0.00 H new ATOM 0 HD1 PHE A 35 5.426 9.875 4.582 1.00 0.00 H new ATOM 0 HD2 PHE A 35 2.731 6.531 4.296 1.00 0.00 H new ATOM 0 HE1 PHE A 35 3.512 11.396 4.987 1.00 0.00 H new ATOM 0 HE2 PHE A 35 0.821 8.044 4.786 1.00 0.00 H new ATOM 0 HZ PHE A 35 1.201 10.491 5.012 1.00 0.00 H new ATOM 537 N LEU A 36 6.257 5.738 6.744 1.00 0.00 N ATOM 538 CA LEU A 36 6.222 5.224 8.111 1.00 0.00 C ATOM 539 C LEU A 36 6.790 6.224 9.142 1.00 0.00 C ATOM 540 O LEU A 36 6.172 6.474 10.172 1.00 0.00 O ATOM 541 CB LEU A 36 7.079 3.951 8.122 1.00 0.00 C ATOM 542 CG LEU A 36 6.600 2.795 7.232 1.00 0.00 C ATOM 543 CD1 LEU A 36 7.198 1.486 7.756 1.00 0.00 C ATOM 544 CD2 LEU A 36 5.093 2.603 7.069 1.00 0.00 C ATOM 0 H LEU A 36 6.406 5.000 6.055 1.00 0.00 H new ATOM 0 HA LEU A 36 5.186 5.039 8.396 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.091 4.218 7.818 1.00 0.00 H new ATOM 0 HB3 LEU A 36 7.139 3.589 9.148 1.00 0.00 H new ATOM 0 HG LEU A 36 6.947 3.073 6.237 1.00 0.00 H new ATOM 0 HD11 LEU A 36 6.864 0.658 7.131 1.00 0.00 H new ATOM 0 HD12 LEU A 36 8.286 1.546 7.728 1.00 0.00 H new ATOM 0 HD13 LEU A 36 6.870 1.321 8.782 1.00 0.00 H new ATOM 0 HD21 LEU A 36 4.903 1.752 6.415 1.00 0.00 H new ATOM 0 HD22 LEU A 36 4.642 2.419 8.044 1.00 0.00 H new ATOM 0 HD23 LEU A 36 4.657 3.501 6.631 1.00 0.00 H new ATOM 555 N GLU A 37 7.964 6.798 8.856 1.00 0.00 N ATOM 556 CA GLU A 37 8.691 7.720 9.724 1.00 0.00 C ATOM 557 C GLU A 37 7.989 9.087 9.878 1.00 0.00 C ATOM 558 O GLU A 37 8.149 9.766 10.890 1.00 0.00 O ATOM 559 CB GLU A 37 10.099 7.914 9.132 1.00 0.00 C ATOM 560 CG GLU A 37 10.883 6.598 8.943 1.00 0.00 C ATOM 561 CD GLU A 37 12.225 6.807 8.243 1.00 0.00 C ATOM 562 OE1 GLU A 37 13.117 7.387 8.897 1.00 0.00 O ATOM 563 OE2 GLU A 37 12.339 6.375 7.075 1.00 0.00 O ATOM 0 H GLU A 37 8.450 6.623 7.977 1.00 0.00 H new ATOM 0 HA GLU A 37 8.734 7.288 10.724 1.00 0.00 H new ATOM 0 HB2 GLU A 37 10.012 8.415 8.168 1.00 0.00 H new ATOM 0 HB3 GLU A 37 10.669 8.575 9.785 1.00 0.00 H new ATOM 0 HG2 GLU A 37 11.053 6.138 9.916 1.00 0.00 H new ATOM 0 HG3 GLU A 37 10.280 5.900 8.362 1.00 0.00 H new ATOM 568 N GLU A 38 7.255 9.503 8.842 1.00 0.00 N ATOM 569 CA GLU A 38 6.672 10.832 8.656 1.00 0.00 C ATOM 570 C GLU A 38 5.173 10.888 9.015 1.00 0.00 C ATOM 571 O GLU A 38 4.705 11.832 9.651 1.00 0.00 O ATOM 572 CB GLU A 38 6.924 11.200 7.185 1.00 0.00 C ATOM 573 CG GLU A 38 6.244 12.503 6.742 1.00 0.00 C ATOM 574 CD GLU A 38 6.610 12.872 5.311 1.00 0.00 C ATOM 575 OE1 GLU A 38 5.914 12.366 4.404 1.00 0.00 O ATOM 576 OE2 GLU A 38 7.582 13.639 5.151 1.00 0.00 O ATOM 0 H GLU A 38 7.039 8.881 8.063 1.00 0.00 H new ATOM 0 HA GLU A 38 7.136 11.549 9.333 1.00 0.00 H new ATOM 0 HB2 GLU A 38 7.998 11.289 7.022 1.00 0.00 H new ATOM 0 HB3 GLU A 38 6.572 10.385 6.552 1.00 0.00 H new ATOM 0 HG2 GLU A 38 5.162 12.395 6.825 1.00 0.00 H new ATOM 0 HG3 GLU A 38 6.536 13.312 7.412 1.00 0.00 H new ATOM 581 N HIS A 39 4.406 9.891 8.570 1.00 0.00 N ATOM 582 CA HIS A 39 2.949 9.839 8.620 1.00 0.00 C ATOM 583 C HIS A 39 2.352 10.147 10.005 1.00 0.00 C ATOM 584 O HIS A 39 2.569 9.375 10.939 1.00 0.00 O ATOM 585 CB HIS A 39 2.535 8.432 8.184 1.00 0.00 C ATOM 586 CG HIS A 39 1.048 8.183 8.133 1.00 0.00 C ATOM 587 ND1 HIS A 39 0.438 7.029 8.558 1.00 0.00 N ATOM 588 CD2 HIS A 39 0.118 8.914 7.443 1.00 0.00 C ATOM 589 CE1 HIS A 39 -0.824 7.053 8.097 1.00 0.00 C ATOM 590 NE2 HIS A 39 -1.075 8.188 7.414 1.00 0.00 N ATOM 0 H HIS A 39 4.808 9.056 8.143 1.00 0.00 H new ATOM 0 HA HIS A 39 2.562 10.616 7.960 1.00 0.00 H new ATOM 0 HB2 HIS A 39 2.953 8.238 7.196 1.00 0.00 H new ATOM 0 HB3 HIS A 39 2.984 7.711 8.867 1.00 0.00 H new ATOM 0 HD1 HIS A 39 0.863 6.291 9.119 1.00 0.00 H new ATOM 0 HD2 HIS A 39 0.279 9.885 6.998 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -1.545 6.264 8.254 1.00 0.00 H new ATOM 597 N PRO A 40 1.519 11.193 10.154 1.00 0.00 N ATOM 598 CA PRO A 40 0.860 11.502 11.421 1.00 0.00 C ATOM 599 C PRO A 40 -0.119 10.401 11.862 1.00 0.00 C ATOM 600 O PRO A 40 -0.356 10.230 13.053 1.00 0.00 O ATOM 601 CB PRO A 40 0.189 12.864 11.218 1.00 0.00 C ATOM 602 CG PRO A 40 -0.057 12.905 9.713 1.00 0.00 C ATOM 603 CD PRO A 40 1.138 12.159 9.135 1.00 0.00 C ATOM 0 HA PRO A 40 1.577 11.546 12.241 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -0.741 12.944 11.781 1.00 0.00 H new ATOM 0 HB3 PRO A 40 0.830 13.683 11.544 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -0.998 12.423 9.447 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -0.108 13.929 9.343 1.00 0.00 H new ATOM 0 HD2 PRO A 40 0.877 11.662 8.201 1.00 0.00 H new ATOM 0 HD3 PRO A 40 1.958 12.842 8.914 1.00 0.00 H new ATOM 608 N GLY A 41 -0.657 9.622 10.916 1.00 0.00 N ATOM 609 CA GLY A 41 -1.398 8.396 11.224 1.00 0.00 C ATOM 610 C GLY A 41 -0.536 7.352 11.957 1.00 0.00 C ATOM 611 O GLY A 41 -1.073 6.499 12.657 1.00 0.00 O ATOM 0 H GLY A 41 -0.590 9.824 9.918 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.263 8.644 11.839 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.778 7.963 10.299 1.00 0.00 H new ATOM 615 N GLY A 42 0.793 7.403 11.784 1.00 0.00 N ATOM 616 CA GLY A 42 1.762 6.528 12.427 1.00 0.00 C ATOM 617 C GLY A 42 2.329 5.512 11.437 1.00 0.00 C ATOM 618 O GLY A 42 1.755 5.280 10.369 1.00 0.00 O ATOM 0 H GLY A 42 1.231 8.086 11.166 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.573 7.124 12.845 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.289 6.005 13.258 1.00 0.00 H new ATOM 622 N GLU A 43 3.450 4.892 11.801 1.00 0.00 N ATOM 623 CA GLU A 43 3.973 3.734 11.099 1.00 0.00 C ATOM 624 C GLU A 43 3.146 2.523 11.432 1.00 0.00 C ATOM 625 O GLU A 43 2.741 1.764 10.550 1.00 0.00 O ATOM 626 CB GLU A 43 5.412 3.363 11.508 1.00 0.00 C ATOM 627 CG GLU A 43 5.769 2.953 12.954 1.00 0.00 C ATOM 628 CD GLU A 43 5.454 4.009 14.008 1.00 0.00 C ATOM 629 OE1 GLU A 43 4.241 4.261 14.195 1.00 0.00 O ATOM 630 OE2 GLU A 43 6.418 4.557 14.580 1.00 0.00 O ATOM 0 H GLU A 43 4.019 5.184 12.595 1.00 0.00 H new ATOM 0 HA GLU A 43 3.948 4.004 10.043 1.00 0.00 H new ATOM 0 HB2 GLU A 43 5.721 2.541 10.862 1.00 0.00 H new ATOM 0 HB3 GLU A 43 6.041 4.218 11.259 1.00 0.00 H new ATOM 0 HG2 GLU A 43 5.230 2.039 13.202 1.00 0.00 H new ATOM 0 HG3 GLU A 43 6.833 2.719 12.999 1.00 0.00 H new ATOM 635 N GLU A 44 2.916 2.337 12.733 1.00 0.00 N ATOM 636 CA GLU A 44 2.426 1.074 13.203 1.00 0.00 C ATOM 637 C GLU A 44 1.085 0.798 12.544 1.00 0.00 C ATOM 638 O GLU A 44 0.804 -0.307 12.110 1.00 0.00 O ATOM 639 CB GLU A 44 2.215 1.039 14.728 1.00 0.00 C ATOM 640 CG GLU A 44 3.453 1.199 15.627 1.00 0.00 C ATOM 641 CD GLU A 44 4.422 0.042 15.518 1.00 0.00 C ATOM 642 OE1 GLU A 44 3.962 -1.118 15.556 1.00 0.00 O ATOM 643 OE2 GLU A 44 5.621 0.284 15.279 1.00 0.00 O ATOM 0 H GLU A 44 3.063 3.041 13.456 1.00 0.00 H new ATOM 0 HA GLU A 44 3.176 0.325 12.950 1.00 0.00 H new ATOM 0 HB2 GLU A 44 1.509 1.828 14.987 1.00 0.00 H new ATOM 0 HB3 GLU A 44 1.739 0.091 14.979 1.00 0.00 H new ATOM 0 HG2 GLU A 44 3.969 2.122 15.363 1.00 0.00 H new ATOM 0 HG3 GLU A 44 3.131 1.298 16.664 1.00 0.00 H new ATOM 648 N HIS A 45 0.287 1.858 12.441 1.00 0.00 N ATOM 649 CA HIS A 45 -1.042 1.872 11.873 1.00 0.00 C ATOM 650 C HIS A 45 -1.069 1.653 10.355 1.00 0.00 C ATOM 651 O HIS A 45 -2.074 1.202 9.811 1.00 0.00 O ATOM 652 CB HIS A 45 -1.654 3.212 12.295 1.00 0.00 C ATOM 653 CG HIS A 45 -3.142 3.349 12.113 1.00 0.00 C ATOM 654 ND1 HIS A 45 -4.049 2.341 11.871 1.00 0.00 N ATOM 655 CD2 HIS A 45 -3.856 4.491 12.349 1.00 0.00 C ATOM 656 CE1 HIS A 45 -5.278 2.879 11.925 1.00 0.00 C ATOM 657 NE2 HIS A 45 -5.213 4.187 12.216 1.00 0.00 N ATOM 0 H HIS A 45 0.575 2.778 12.773 1.00 0.00 H new ATOM 0 HA HIS A 45 -1.627 1.032 12.247 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -1.420 3.379 13.346 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -1.165 4.005 11.730 1.00 0.00 H new ATOM 0 HD1 HIS A 45 -3.827 1.363 11.685 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -3.443 5.458 12.595 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -6.194 2.333 11.757 1.00 0.00 H new ATOM 664 N LEU A 46 0.047 1.910 9.666 1.00 0.00 N ATOM 665 CA LEU A 46 0.196 1.512 8.270 1.00 0.00 C ATOM 666 C LEU A 46 0.630 0.053 8.236 1.00 0.00 C ATOM 667 O LEU A 46 0.158 -0.729 7.416 1.00 0.00 O ATOM 668 CB LEU A 46 1.242 2.384 7.559 1.00 0.00 C ATOM 669 CG LEU A 46 0.806 3.839 7.339 1.00 0.00 C ATOM 670 CD1 LEU A 46 2.007 4.656 6.848 1.00 0.00 C ATOM 671 CD2 LEU A 46 -0.311 3.939 6.297 1.00 0.00 C ATOM 0 H LEU A 46 0.858 2.392 10.055 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.754 1.642 7.751 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.162 2.377 8.144 1.00 0.00 H new ATOM 0 HB3 LEU A 46 1.475 1.937 6.593 1.00 0.00 H new ATOM 0 HG LEU A 46 0.433 4.226 8.287 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.703 5.691 6.690 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.801 4.621 7.594 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.372 4.238 5.910 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -0.595 4.983 6.167 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.041 3.537 5.347 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -1.176 3.368 6.635 1.00 0.00 H new ATOM 682 N ARG A 47 1.527 -0.326 9.147 1.00 0.00 N ATOM 683 CA ARG A 47 2.132 -1.650 9.126 1.00 0.00 C ATOM 684 C ARG A 47 1.086 -2.721 9.445 1.00 0.00 C ATOM 685 O ARG A 47 1.022 -3.766 8.808 1.00 0.00 O ATOM 686 CB ARG A 47 3.295 -1.677 10.105 1.00 0.00 C ATOM 687 CG ARG A 47 4.230 -2.827 9.684 1.00 0.00 C ATOM 688 CD ARG A 47 5.308 -3.202 10.699 1.00 0.00 C ATOM 689 NE ARG A 47 5.958 -2.007 11.270 1.00 0.00 N ATOM 690 CZ ARG A 47 5.801 -1.536 12.513 1.00 0.00 C ATOM 691 NH1 ARG A 47 5.001 -2.150 13.372 1.00 0.00 N ATOM 692 NH2 ARG A 47 6.446 -0.444 12.891 1.00 0.00 N ATOM 0 H ARG A 47 1.849 0.270 9.909 1.00 0.00 H new ATOM 0 HA ARG A 47 2.516 -1.871 8.130 1.00 0.00 H new ATOM 0 HB2 ARG A 47 3.828 -0.726 10.093 1.00 0.00 H new ATOM 0 HB3 ARG A 47 2.936 -1.828 11.123 1.00 0.00 H new ATOM 0 HG2 ARG A 47 3.623 -3.710 9.481 1.00 0.00 H new ATOM 0 HG3 ARG A 47 4.716 -2.553 8.748 1.00 0.00 H new ATOM 0 HD2 ARG A 47 4.864 -3.793 11.500 1.00 0.00 H new ATOM 0 HD3 ARG A 47 6.058 -3.830 10.218 1.00 0.00 H new ATOM 0 HE ARG A 47 6.589 -1.489 10.658 1.00 0.00 H new ATOM 0 HH11 ARG A 47 4.497 -2.990 13.089 1.00 0.00 H new ATOM 0 HH12 ARG A 47 4.889 -1.782 14.317 1.00 0.00 H new ATOM 0 HH21 ARG A 47 7.062 0.037 12.235 1.00 0.00 H new ATOM 0 HH22 ARG A 47 6.327 -0.084 13.838 1.00 0.00 H new ATOM 703 N GLU A 48 0.256 -2.397 10.430 1.00 0.00 N ATOM 704 CA GLU A 48 -0.987 -3.072 10.797 1.00 0.00 C ATOM 705 C GLU A 48 -1.755 -3.570 9.559 1.00 0.00 C ATOM 706 O GLU A 48 -2.096 -4.745 9.453 1.00 0.00 O ATOM 707 CB GLU A 48 -1.813 -2.037 11.576 1.00 0.00 C ATOM 708 CG GLU A 48 -3.257 -2.453 11.916 1.00 0.00 C ATOM 709 CD GLU A 48 -4.215 -1.285 11.733 1.00 0.00 C ATOM 710 OE1 GLU A 48 -3.986 -0.250 12.394 1.00 0.00 O ATOM 711 OE2 GLU A 48 -5.131 -1.424 10.897 1.00 0.00 O ATOM 0 H GLU A 48 0.446 -1.600 11.037 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.784 -3.960 11.396 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.292 -1.809 12.506 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -1.847 -1.115 10.995 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -3.561 -3.282 11.277 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -3.304 -2.810 12.945 1.00 0.00 H new ATOM 716 N GLN A 49 -2.017 -2.657 8.618 1.00 0.00 N ATOM 717 CA GLN A 49 -2.692 -2.956 7.360 1.00 0.00 C ATOM 718 C GLN A 49 -1.768 -3.637 6.348 1.00 0.00 C ATOM 719 O GLN A 49 -2.202 -4.458 5.542 1.00 0.00 O ATOM 720 CB GLN A 49 -3.133 -1.640 6.712 1.00 0.00 C ATOM 721 CG GLN A 49 -4.269 -0.903 7.414 1.00 0.00 C ATOM 722 CD GLN A 49 -5.570 -1.699 7.398 1.00 0.00 C ATOM 723 OE1 GLN A 49 -6.218 -1.823 6.370 1.00 0.00 O ATOM 724 NE2 GLN A 49 -6.008 -2.228 8.527 1.00 0.00 N ATOM 0 H GLN A 49 -1.760 -1.675 8.715 1.00 0.00 H new ATOM 0 HA GLN A 49 -3.525 -3.618 7.597 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -2.271 -0.975 6.661 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -3.438 -1.846 5.686 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -3.984 -0.698 8.446 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -4.429 0.060 6.930 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -5.465 -2.123 9.384 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -6.889 -2.741 8.541 1.00 0.00 H new ATOM 731 N ALA A 50 -0.505 -3.210 6.339 1.00 0.00 N ATOM 732 CA ALA A 50 0.447 -3.503 5.286 1.00 0.00 C ATOM 733 C ALA A 50 0.528 -4.961 4.823 1.00 0.00 C ATOM 734 O ALA A 50 0.471 -5.912 5.601 1.00 0.00 O ATOM 735 CB ALA A 50 1.835 -2.999 5.678 1.00 0.00 C ATOM 0 H ALA A 50 -0.113 -2.637 7.086 1.00 0.00 H new ATOM 0 HA ALA A 50 0.059 -2.968 4.419 1.00 0.00 H new ATOM 0 HB1 ALA A 50 2.543 -3.224 4.880 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.799 -1.921 5.838 1.00 0.00 H new ATOM 0 HB3 ALA A 50 2.155 -3.491 6.596 1.00 0.00 H new ATOM 741 N GLY A 51 0.711 -5.107 3.513 1.00 0.00 N ATOM 742 CA GLY A 51 0.751 -6.385 2.807 1.00 0.00 C ATOM 743 C GLY A 51 -0.453 -6.568 1.878 1.00 0.00 C ATOM 744 O GLY A 51 -0.566 -7.586 1.193 1.00 0.00 O ATOM 0 H GLY A 51 0.840 -4.309 2.891 1.00 0.00 H new ATOM 0 HA2 GLY A 51 1.670 -6.448 2.225 1.00 0.00 H new ATOM 0 HA3 GLY A 51 0.776 -7.199 3.532 1.00 0.00 H new ATOM 748 N GLY A 52 -1.340 -5.568 1.852 1.00 0.00 N ATOM 749 CA GLY A 52 -2.429 -5.418 0.904 1.00 0.00 C ATOM 750 C GLY A 52 -3.519 -4.502 1.461 1.00 0.00 C ATOM 751 O GLY A 52 -3.284 -3.807 2.445 1.00 0.00 O ATOM 0 H GLY A 52 -1.309 -4.807 2.530 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.048 -5.008 -0.031 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.853 -6.396 0.674 1.00 0.00 H new ATOM 755 N ASP A 53 -4.655 -4.453 0.757 1.00 0.00 N ATOM 756 CA ASP A 53 -5.905 -3.762 1.048 1.00 0.00 C ATOM 757 C ASP A 53 -5.928 -2.983 2.360 1.00 0.00 C ATOM 758 O ASP A 53 -6.076 -3.521 3.455 1.00 0.00 O ATOM 759 CB ASP A 53 -7.147 -4.628 0.840 1.00 0.00 C ATOM 760 CG ASP A 53 -8.401 -3.749 0.734 1.00 0.00 C ATOM 761 OD1 ASP A 53 -8.294 -2.521 0.983 1.00 0.00 O ATOM 762 OD2 ASP A 53 -9.443 -4.321 0.360 1.00 0.00 O ATOM 0 H ASP A 53 -4.722 -4.955 -0.129 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.949 -2.987 0.282 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -7.035 -5.224 -0.066 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -7.254 -5.327 1.670 1.00 0.00 H new ATOM 766 N ALA A 54 -5.781 -1.683 2.171 1.00 0.00 N ATOM 767 CA ALA A 54 -5.800 -0.671 3.197 1.00 0.00 C ATOM 768 C ALA A 54 -6.690 0.487 2.754 1.00 0.00 C ATOM 769 O ALA A 54 -6.643 1.571 3.333 1.00 0.00 O ATOM 770 CB ALA A 54 -4.341 -0.304 3.436 1.00 0.00 C ATOM 0 H ALA A 54 -5.637 -1.289 1.241 1.00 0.00 H new ATOM 0 HA ALA A 54 -6.233 -1.003 4.141 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -4.281 0.464 4.207 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -3.792 -1.188 3.760 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -3.905 0.075 2.512 1.00 0.00 H new ATOM 776 N THR A 55 -7.538 0.244 1.748 1.00 0.00 N ATOM 777 CA THR A 55 -8.462 1.240 1.223 1.00 0.00 C ATOM 778 C THR A 55 -9.458 1.635 2.305 1.00 0.00 C ATOM 779 O THR A 55 -9.650 2.814 2.588 1.00 0.00 O ATOM 780 CB THR A 55 -9.173 0.671 -0.014 1.00 0.00 C ATOM 781 OG1 THR A 55 -8.594 1.190 -1.185 1.00 0.00 O ATOM 782 CG2 THR A 55 -10.638 1.045 -0.130 1.00 0.00 C ATOM 0 H THR A 55 -7.598 -0.658 1.276 1.00 0.00 H new ATOM 0 HA THR A 55 -7.918 2.136 0.924 1.00 0.00 H new ATOM 0 HB THR A 55 -9.073 -0.408 0.100 1.00 0.00 H new ATOM 0 HG1 THR A 55 -8.835 2.135 -1.278 1.00 0.00 H new ATOM 0 HG21 THR A 55 -11.057 0.600 -1.032 1.00 0.00 H new ATOM 0 HG22 THR A 55 -11.178 0.675 0.742 1.00 0.00 H new ATOM 0 HG23 THR A 55 -10.734 2.130 -0.183 1.00 0.00 H new ATOM 790 N GLU A 56 -10.088 0.631 2.916 1.00 0.00 N ATOM 791 CA GLU A 56 -11.090 0.862 3.938 1.00 0.00 C ATOM 792 C GLU A 56 -10.490 1.650 5.101 1.00 0.00 C ATOM 793 O GLU A 56 -11.031 2.681 5.484 1.00 0.00 O ATOM 794 CB GLU A 56 -11.696 -0.485 4.349 1.00 0.00 C ATOM 795 CG GLU A 56 -12.873 -0.310 5.320 1.00 0.00 C ATOM 796 CD GLU A 56 -13.573 -1.634 5.605 1.00 0.00 C ATOM 797 OE1 GLU A 56 -13.080 -2.354 6.498 1.00 0.00 O ATOM 798 OE2 GLU A 56 -14.578 -1.903 4.912 1.00 0.00 O ATOM 0 H GLU A 56 -9.915 -0.354 2.714 1.00 0.00 H new ATOM 0 HA GLU A 56 -11.903 1.478 3.555 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -12.035 -1.017 3.460 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -10.928 -1.101 4.816 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -12.512 0.119 6.255 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -13.589 0.397 4.900 1.00 0.00 H new ATOM 803 N ASN A 57 -9.314 1.245 5.598 1.00 0.00 N ATOM 804 CA ASN A 57 -8.693 2.004 6.685 1.00 0.00 C ATOM 805 C ASN A 57 -8.312 3.421 6.216 1.00 0.00 C ATOM 806 O ASN A 57 -8.535 4.398 6.925 1.00 0.00 O ATOM 807 CB ASN A 57 -7.515 1.243 7.317 1.00 0.00 C ATOM 808 CG ASN A 57 -7.363 1.560 8.806 1.00 0.00 C ATOM 809 OD1 ASN A 57 -7.591 2.677 9.250 1.00 0.00 O ATOM 810 ND2 ASN A 57 -6.958 0.589 9.611 1.00 0.00 N ATOM 0 H ASN A 57 -8.792 0.429 5.279 1.00 0.00 H new ATOM 0 HA ASN A 57 -9.429 2.121 7.480 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -7.664 0.171 7.188 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -6.594 1.502 6.795 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -6.835 0.770 10.607 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -6.770 -0.340 9.235 1.00 0.00 H new ATOM 816 N PHE A 58 -7.776 3.547 4.994 1.00 0.00 N ATOM 817 CA PHE A 58 -7.453 4.845 4.393 1.00 0.00 C ATOM 818 C PHE A 58 -8.645 5.822 4.356 1.00 0.00 C ATOM 819 O PHE A 58 -8.501 6.957 4.806 1.00 0.00 O ATOM 820 CB PHE A 58 -6.864 4.625 2.990 1.00 0.00 C ATOM 821 CG PHE A 58 -6.383 5.858 2.243 1.00 0.00 C ATOM 822 CD1 PHE A 58 -5.387 6.675 2.802 1.00 0.00 C ATOM 823 CD2 PHE A 58 -6.813 6.103 0.925 1.00 0.00 C ATOM 824 CE1 PHE A 58 -4.836 7.737 2.063 1.00 0.00 C ATOM 825 CE2 PHE A 58 -6.285 7.182 0.194 1.00 0.00 C ATOM 826 CZ PHE A 58 -5.291 7.997 0.761 1.00 0.00 C ATOM 0 H PHE A 58 -7.555 2.751 4.396 1.00 0.00 H new ATOM 0 HA PHE A 58 -6.712 5.324 5.033 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -6.026 3.934 3.079 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -7.620 4.132 2.379 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -5.041 6.486 3.808 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -7.552 5.459 0.473 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -4.062 8.353 2.498 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -6.644 7.384 -0.804 1.00 0.00 H new ATOM 0 HZ PHE A 58 -4.879 8.821 0.197 1.00 0.00 H new ATOM 835 N GLU A 59 -9.793 5.382 3.822 1.00 0.00 N ATOM 836 CA GLU A 59 -10.990 6.129 3.457 1.00 0.00 C ATOM 837 C GLU A 59 -12.036 6.235 4.581 1.00 0.00 C ATOM 838 O GLU A 59 -12.775 7.216 4.612 1.00 0.00 O ATOM 839 CB GLU A 59 -11.579 5.518 2.177 1.00 0.00 C ATOM 840 CG GLU A 59 -10.639 5.699 0.964 1.00 0.00 C ATOM 841 CD GLU A 59 -10.601 7.122 0.416 1.00 0.00 C ATOM 842 OE1 GLU A 59 -11.638 7.565 -0.118 1.00 0.00 O ATOM 843 OE2 GLU A 59 -9.563 7.816 0.507 1.00 0.00 O ATOM 0 H GLU A 59 -9.911 4.390 3.617 1.00 0.00 H new ATOM 0 HA GLU A 59 -10.693 7.162 3.276 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -11.766 4.456 2.335 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -12.541 5.983 1.963 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -9.630 5.404 1.252 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -10.954 5.023 0.169 1.00 0.00 H new ATOM 848 N ASP A 60 -12.102 5.265 5.505 1.00 0.00 N ATOM 849 CA ASP A 60 -12.949 5.341 6.696 1.00 0.00 C ATOM 850 C ASP A 60 -12.652 6.632 7.473 1.00 0.00 C ATOM 851 O ASP A 60 -13.519 7.491 7.630 1.00 0.00 O ATOM 852 CB ASP A 60 -12.730 4.081 7.538 1.00 0.00 C ATOM 853 CG ASP A 60 -13.559 4.115 8.810 1.00 0.00 C ATOM 854 OD1 ASP A 60 -14.746 3.737 8.726 1.00 0.00 O ATOM 855 OD2 ASP A 60 -12.989 4.540 9.837 1.00 0.00 O ATOM 0 H ASP A 60 -11.564 4.401 5.443 1.00 0.00 H new ATOM 0 HA ASP A 60 -14.002 5.380 6.418 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -12.994 3.200 6.953 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -11.674 3.990 7.792 1.00 0.00 H new ATOM 859 N VAL A 61 -11.394 6.798 7.897 1.00 0.00 N ATOM 860 CA VAL A 61 -10.925 8.089 8.391 1.00 0.00 C ATOM 861 C VAL A 61 -10.884 9.070 7.209 1.00 0.00 C ATOM 862 O VAL A 61 -11.370 10.197 7.304 1.00 0.00 O ATOM 863 CB VAL A 61 -9.578 7.942 9.123 1.00 0.00 C ATOM 864 CG1 VAL A 61 -8.385 7.635 8.207 1.00 0.00 C ATOM 865 CG2 VAL A 61 -9.270 9.214 9.919 1.00 0.00 C ATOM 0 H VAL A 61 -10.691 6.059 7.907 1.00 0.00 H new ATOM 0 HA VAL A 61 -11.610 8.492 9.137 1.00 0.00 H new ATOM 0 HB VAL A 61 -9.701 7.080 9.779 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -7.479 7.548 8.807 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -8.563 6.698 7.680 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -8.265 8.441 7.483 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -8.316 9.100 10.433 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -9.217 10.065 9.239 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -10.058 9.384 10.652 1.00 0.00 H new ATOM 875 N GLY A 62 -10.340 8.608 6.076 1.00 0.00 N ATOM 876 CA GLY A 62 -10.252 9.357 4.833 1.00 0.00 C ATOM 877 C GLY A 62 -9.265 10.522 4.924 1.00 0.00 C ATOM 878 O GLY A 62 -8.821 10.912 6.002 1.00 0.00 O ATOM 0 H GLY A 62 -9.939 7.673 6.005 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -9.947 8.687 4.029 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -11.239 9.740 4.572 1.00 0.00 H new ATOM 882 N HIS A 63 -8.836 11.007 3.758 1.00 0.00 N ATOM 883 CA HIS A 63 -7.652 11.853 3.655 1.00 0.00 C ATOM 884 CB HIS A 63 -6.548 10.920 3.153 1.00 0.00 C ATOM 885 CG HIS A 63 -5.967 10.039 4.224 1.00 0.00 C ATOM 886 ND1 HIS A 63 -6.546 8.948 4.839 1.00 0.00 N ATOM 887 CD2 HIS A 63 -4.696 10.150 4.697 1.00 0.00 C ATOM 888 CE1 HIS A 63 -5.630 8.428 5.673 1.00 0.00 C ATOM 889 NE2 HIS A 63 -4.470 9.106 5.595 1.00 0.00 N ATOM 0 H HIS A 63 -9.297 10.825 2.867 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -6.949 10.293 2.357 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -5.750 11.519 2.715 1.00 0.00 H new ATOM 0 HD1 HIS A 63 -7.493 8.601 4.688 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -3.984 10.915 4.424 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -5.801 7.580 6.319 1.00 0.00 H new ATOM 896 N SER A 64 -6.970 14.086 2.926 1.00 0.00 N ATOM 897 CA SER A 64 -6.907 15.258 2.055 1.00 0.00 C ATOM 898 C SER A 64 -6.609 14.893 0.592 1.00 0.00 C ATOM 899 O SER A 64 -5.989 13.871 0.292 1.00 0.00 O ATOM 900 CB SER A 64 -5.864 16.247 2.593 1.00 0.00 C ATOM 901 OG SER A 64 -6.364 16.861 3.763 1.00 0.00 O ATOM 0 HA SER A 64 -7.891 15.726 2.061 1.00 0.00 H new ATOM 0 HB2 SER A 64 -4.931 15.727 2.811 1.00 0.00 H new ATOM 0 HB3 SER A 64 -5.639 17.002 1.840 1.00 0.00 H new ATOM 0 HG SER A 64 -5.696 16.796 4.477 1.00 0.00 H new ATOM 906 N THR A 65 -7.020 15.754 -0.344 1.00 0.00 N ATOM 907 CA THR A 65 -6.658 15.624 -1.756 1.00 0.00 C ATOM 908 C THR A 65 -5.147 15.505 -1.911 1.00 0.00 C ATOM 909 O THR A 65 -4.675 14.564 -2.540 1.00 0.00 O ATOM 910 CB THR A 65 -7.156 16.839 -2.546 1.00 0.00 C ATOM 911 OG1 THR A 65 -6.784 18.009 -1.846 1.00 0.00 O ATOM 912 CG2 THR A 65 -8.678 16.825 -2.692 1.00 0.00 C ATOM 0 H THR A 65 -7.612 16.560 -0.143 1.00 0.00 H new ATOM 0 HA THR A 65 -7.129 14.722 -2.146 1.00 0.00 H new ATOM 0 HB THR A 65 -6.713 16.811 -3.542 1.00 0.00 H new ATOM 0 HG1 THR A 65 -7.094 18.797 -2.339 1.00 0.00 H new ATOM 0 HG21 THR A 65 -8.997 17.701 -3.257 1.00 0.00 H new ATOM 0 HG22 THR A 65 -8.985 15.921 -3.219 1.00 0.00 H new ATOM 0 HG23 THR A 65 -9.138 16.843 -1.704 1.00 0.00 H new ATOM 920 N ASP A 66 -4.411 16.425 -1.282 1.00 0.00 N ATOM 921 CA ASP A 66 -2.966 16.374 -1.089 1.00 0.00 C ATOM 922 C ASP A 66 -2.469 14.929 -0.891 1.00 0.00 C ATOM 923 O ASP A 66 -1.644 14.434 -1.653 1.00 0.00 O ATOM 924 CB ASP A 66 -2.654 17.259 0.126 1.00 0.00 C ATOM 925 CG ASP A 66 -1.206 17.121 0.566 1.00 0.00 C ATOM 926 OD1 ASP A 66 -0.958 16.195 1.366 1.00 0.00 O ATOM 927 OD2 ASP A 66 -0.390 17.933 0.085 1.00 0.00 O ATOM 0 H ASP A 66 -4.829 17.262 -0.876 1.00 0.00 H new ATOM 0 HA ASP A 66 -2.444 16.740 -1.973 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -2.862 18.300 -0.120 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.312 16.989 0.952 1.00 0.00 H new ATOM 931 N ALA A 67 -3.041 14.227 0.088 1.00 0.00 N ATOM 932 CA ALA A 67 -2.672 12.867 0.453 1.00 0.00 C ATOM 933 C ALA A 67 -3.096 11.827 -0.599 1.00 0.00 C ATOM 934 O ALA A 67 -2.349 10.894 -0.892 1.00 0.00 O ATOM 935 CB ALA A 67 -3.258 12.560 1.830 1.00 0.00 C ATOM 0 H ALA A 67 -3.795 14.604 0.663 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.585 12.799 0.492 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -2.991 11.544 2.121 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.858 13.263 2.561 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.343 12.654 1.793 1.00 0.00 H new ATOM 941 N ARG A 68 -4.276 11.979 -1.213 1.00 0.00 N ATOM 942 CA ARG A 68 -4.666 11.119 -2.335 1.00 0.00 C ATOM 943 C ARG A 68 -3.688 11.304 -3.500 1.00 0.00 C ATOM 944 O ARG A 68 -3.309 10.332 -4.157 1.00 0.00 O ATOM 945 CB ARG A 68 -6.119 11.401 -2.768 1.00 0.00 C ATOM 946 CG ARG A 68 -7.202 10.544 -2.084 1.00 0.00 C ATOM 947 CD ARG A 68 -7.568 10.973 -0.657 1.00 0.00 C ATOM 948 NE ARG A 68 -8.829 10.311 -0.221 1.00 0.00 N ATOM 949 CZ ARG A 68 -10.043 10.882 -0.184 1.00 0.00 C ATOM 950 NH1 ARG A 68 -10.185 12.197 -0.115 1.00 0.00 N ATOM 951 NH2 ARG A 68 -11.147 10.157 -0.205 1.00 0.00 N ATOM 0 H ARG A 68 -4.969 12.681 -0.955 1.00 0.00 H new ATOM 0 HA ARG A 68 -4.622 10.079 -2.012 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -6.338 12.451 -2.575 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -6.192 11.253 -3.845 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -8.103 10.569 -2.696 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -6.862 9.509 -2.059 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -6.759 10.713 0.026 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -7.685 12.056 -0.615 1.00 0.00 H new ATOM 0 HE ARG A 68 -8.764 9.337 0.076 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -9.361 12.798 -0.089 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -11.118 12.608 -0.088 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -11.088 9.140 -0.250 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -12.058 10.614 -0.176 1.00 0.00 H new ATOM 962 N GLU A 69 -3.237 12.537 -3.734 1.00 0.00 N ATOM 963 CA GLU A 69 -2.290 12.817 -4.793 1.00 0.00 C ATOM 964 C GLU A 69 -0.891 12.286 -4.451 1.00 0.00 C ATOM 965 O GLU A 69 -0.272 11.593 -5.256 1.00 0.00 O ATOM 966 CB GLU A 69 -2.349 14.303 -5.182 1.00 0.00 C ATOM 967 CG GLU A 69 -1.916 14.334 -6.658 1.00 0.00 C ATOM 968 CD GLU A 69 -2.024 15.611 -7.457 1.00 0.00 C ATOM 969 OE1 GLU A 69 -2.378 16.663 -6.893 1.00 0.00 O ATOM 970 OE2 GLU A 69 -1.757 15.437 -8.672 1.00 0.00 O ATOM 0 H GLU A 69 -3.519 13.356 -3.196 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.571 12.269 -5.692 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.353 14.707 -5.055 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.684 14.902 -4.561 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -0.874 14.017 -6.695 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.499 13.576 -7.181 1.00 0.00 H new ATOM 975 N LEU A 70 -0.432 12.495 -3.216 1.00 0.00 N ATOM 976 CA LEU A 70 0.771 11.872 -2.667 1.00 0.00 C ATOM 977 C LEU A 70 0.792 10.371 -2.978 1.00 0.00 C ATOM 978 O LEU A 70 1.811 9.805 -3.364 1.00 0.00 O ATOM 979 CB LEU A 70 0.793 12.064 -1.139 1.00 0.00 C ATOM 980 CG LEU A 70 2.154 12.013 -0.420 1.00 0.00 C ATOM 981 CD1 LEU A 70 3.293 11.332 -1.172 1.00 0.00 C ATOM 982 CD2 LEU A 70 2.585 13.422 -0.027 1.00 0.00 C ATOM 0 H LEU A 70 -0.898 13.117 -2.555 1.00 0.00 H new ATOM 0 HA LEU A 70 1.643 12.342 -3.121 1.00 0.00 H new ATOM 0 HB2 LEU A 70 0.335 13.028 -0.918 1.00 0.00 H new ATOM 0 HB3 LEU A 70 0.154 11.299 -0.698 1.00 0.00 H new ATOM 0 HG LEU A 70 1.974 11.381 0.449 1.00 0.00 H new ATOM 0 HD11 LEU A 70 4.198 11.359 -0.565 1.00 0.00 H new ATOM 0 HD12 LEU A 70 3.025 10.296 -1.377 1.00 0.00 H new ATOM 0 HD13 LEU A 70 3.472 11.854 -2.112 1.00 0.00 H new ATOM 0 HD21 LEU A 70 3.548 13.379 0.481 1.00 0.00 H new ATOM 0 HD22 LEU A 70 2.674 14.038 -0.922 1.00 0.00 H new ATOM 0 HD23 LEU A 70 1.841 13.857 0.641 1.00 0.00 H new ATOM 993 N SER A 71 -0.371 9.721 -2.858 1.00 0.00 N ATOM 994 CA SER A 71 -0.517 8.292 -3.023 1.00 0.00 C ATOM 995 C SER A 71 0.100 7.854 -4.369 1.00 0.00 C ATOM 996 O SER A 71 0.854 6.887 -4.438 1.00 0.00 O ATOM 997 CB SER A 71 -2.001 7.920 -2.813 1.00 0.00 C ATOM 998 OG SER A 71 -2.661 7.676 -4.039 1.00 0.00 O ATOM 0 H SER A 71 -1.248 10.194 -2.639 1.00 0.00 H new ATOM 0 HA SER A 71 0.039 7.732 -2.272 1.00 0.00 H new ATOM 0 HB2 SER A 71 -2.067 7.034 -2.182 1.00 0.00 H new ATOM 0 HB3 SER A 71 -2.506 8.727 -2.283 1.00 0.00 H new ATOM 0 HG SER A 71 -3.029 8.516 -4.385 1.00 0.00 H new ATOM 1003 N LYS A 72 -0.095 8.667 -5.412 1.00 0.00 N ATOM 1004 CA LYS A 72 0.462 8.470 -6.757 1.00 0.00 C ATOM 1005 C LYS A 72 1.979 8.256 -6.728 1.00 0.00 C ATOM 1006 O LYS A 72 2.503 7.425 -7.463 1.00 0.00 O ATOM 1007 CB LYS A 72 0.143 9.670 -7.665 1.00 0.00 C ATOM 1008 CG LYS A 72 -1.351 10.004 -7.663 1.00 0.00 C ATOM 1009 CD LYS A 72 -1.656 11.412 -8.189 1.00 0.00 C ATOM 1010 CE LYS A 72 -1.198 11.795 -9.599 1.00 0.00 C ATOM 1011 NZ LYS A 72 -1.624 13.182 -9.935 1.00 0.00 N ATOM 0 H LYS A 72 -0.665 9.510 -5.342 1.00 0.00 H new ATOM 0 HA LYS A 72 -0.007 7.571 -7.157 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.710 10.539 -7.331 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.465 9.451 -8.683 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -1.881 9.273 -8.273 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -1.736 9.911 -6.648 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -2.736 11.553 -8.145 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -1.213 12.126 -7.494 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -0.113 11.716 -9.668 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -1.615 11.096 -10.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -1.177 13.476 -10.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -2.658 13.212 -10.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -1.335 13.828 -9.173 1.00 0.00 H new ATOM 1021 N THR A 73 2.672 9.016 -5.873 1.00 0.00 N ATOM 1022 CA THR A 73 4.133 8.922 -5.707 1.00 0.00 C ATOM 1023 C THR A 73 4.606 8.001 -4.570 1.00 0.00 C ATOM 1024 O THR A 73 5.801 7.915 -4.293 1.00 0.00 O ATOM 1025 CB THR A 73 4.776 10.312 -5.623 1.00 0.00 C ATOM 1026 OG1 THR A 73 6.174 10.185 -5.772 1.00 0.00 O ATOM 1027 CG2 THR A 73 4.507 11.069 -4.326 1.00 0.00 C ATOM 0 H THR A 73 2.237 9.717 -5.273 1.00 0.00 H new ATOM 0 HA THR A 73 4.485 8.429 -6.613 1.00 0.00 H new ATOM 0 HB THR A 73 4.318 10.892 -6.424 1.00 0.00 H new ATOM 0 HG1 THR A 73 6.482 9.383 -5.300 1.00 0.00 H new ATOM 0 HG21 THR A 73 5.002 12.039 -4.362 1.00 0.00 H new ATOM 0 HG22 THR A 73 3.433 11.214 -4.205 1.00 0.00 H new ATOM 0 HG23 THR A 73 4.893 10.495 -3.483 1.00 0.00 H new ATOM 1035 N PHE A 74 3.664 7.315 -3.929 1.00 0.00 N ATOM 1036 CA PHE A 74 3.839 6.269 -2.913 1.00 0.00 C ATOM 1037 C PHE A 74 3.503 4.878 -3.465 1.00 0.00 C ATOM 1038 O PHE A 74 3.911 3.848 -2.922 1.00 0.00 O ATOM 1039 CB PHE A 74 2.928 6.645 -1.756 1.00 0.00 C ATOM 1040 CG PHE A 74 3.476 7.584 -0.702 1.00 0.00 C ATOM 1041 CD1 PHE A 74 4.822 8.016 -0.659 1.00 0.00 C ATOM 1042 CD2 PHE A 74 2.585 7.991 0.299 1.00 0.00 C ATOM 1043 CE1 PHE A 74 5.258 8.845 0.389 1.00 0.00 C ATOM 1044 CE2 PHE A 74 3.008 8.856 1.313 1.00 0.00 C ATOM 1045 CZ PHE A 74 4.328 9.319 1.328 1.00 0.00 C ATOM 0 H PHE A 74 2.677 7.487 -4.119 1.00 0.00 H new ATOM 0 HA PHE A 74 4.879 6.211 -2.591 1.00 0.00 H new ATOM 0 HB2 PHE A 74 2.028 7.097 -2.172 1.00 0.00 H new ATOM 0 HB3 PHE A 74 2.622 5.725 -1.258 1.00 0.00 H new ATOM 0 HD1 PHE A 74 5.513 7.710 -1.430 1.00 0.00 H new ATOM 0 HD2 PHE A 74 1.566 7.635 0.288 1.00 0.00 H new ATOM 0 HE1 PHE A 74 6.300 9.115 0.471 1.00 0.00 H new ATOM 0 HE2 PHE A 74 2.317 9.166 2.083 1.00 0.00 H new ATOM 0 HZ PHE A 74 4.634 10.046 2.066 1.00 0.00 H new ATOM 1054 N ILE A 75 2.747 4.855 -4.556 1.00 0.00 N ATOM 1055 CA ILE A 75 2.484 3.667 -5.334 1.00 0.00 C ATOM 1056 C ILE A 75 3.738 3.042 -5.934 1.00 0.00 C ATOM 1057 O ILE A 75 4.736 3.705 -6.207 1.00 0.00 O ATOM 1058 CB ILE A 75 1.513 4.056 -6.466 1.00 0.00 C ATOM 1059 CG1 ILE A 75 0.117 3.987 -5.863 1.00 0.00 C ATOM 1060 CG2 ILE A 75 1.584 3.247 -7.774 1.00 0.00 C ATOM 1061 CD1 ILE A 75 -0.932 4.364 -6.885 1.00 0.00 C ATOM 0 H ILE A 75 2.291 5.688 -4.928 1.00 0.00 H new ATOM 0 HA ILE A 75 2.060 2.915 -4.668 1.00 0.00 H new ATOM 0 HB ILE A 75 1.804 5.050 -6.805 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -0.075 2.979 -5.494 1.00 0.00 H new ATOM 0 HG13 ILE A 75 0.053 4.658 -5.006 1.00 0.00 H new ATOM 0 HG21 ILE A 75 0.846 3.630 -8.479 1.00 0.00 H new ATOM 0 HG22 ILE A 75 2.581 3.340 -8.206 1.00 0.00 H new ATOM 0 HG23 ILE A 75 1.376 2.198 -7.565 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -1.921 4.307 -6.430 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -0.751 5.381 -7.234 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -0.881 3.676 -7.729 1.00 0.00 H new ATOM 1072 N ILE A 76 3.602 1.749 -6.218 1.00 0.00 N ATOM 1073 CA ILE A 76 4.530 0.955 -7.008 1.00 0.00 C ATOM 1074 C ILE A 76 3.865 0.293 -8.236 1.00 0.00 C ATOM 1075 O ILE A 76 4.573 -0.107 -9.162 1.00 0.00 O ATOM 1076 CB ILE A 76 5.209 -0.074 -6.103 1.00 0.00 C ATOM 1077 CG1 ILE A 76 4.146 -1.002 -5.504 1.00 0.00 C ATOM 1078 CG2 ILE A 76 6.023 0.621 -5.002 1.00 0.00 C ATOM 1079 CD1 ILE A 76 4.814 -2.112 -4.698 1.00 0.00 C ATOM 0 H ILE A 76 2.805 1.205 -5.887 1.00 0.00 H new ATOM 0 HA ILE A 76 5.284 1.626 -7.419 1.00 0.00 H new ATOM 0 HB ILE A 76 5.905 -0.670 -6.694 1.00 0.00 H new ATOM 0 HG12 ILE A 76 3.473 -0.432 -4.864 1.00 0.00 H new ATOM 0 HG13 ILE A 76 3.539 -1.434 -6.300 1.00 0.00 H new ATOM 0 HG21 ILE A 76 6.497 -0.131 -4.371 1.00 0.00 H new ATOM 0 HG22 ILE A 76 6.789 1.248 -5.457 1.00 0.00 H new ATOM 0 HG23 ILE A 76 5.361 1.239 -4.396 1.00 0.00 H new ATOM 0 HD11 ILE A 76 4.050 -2.766 -4.277 1.00 0.00 H new ATOM 0 HD12 ILE A 76 5.468 -2.691 -5.349 1.00 0.00 H new ATOM 0 HD13 ILE A 76 5.401 -1.673 -3.891 1.00 0.00 H new ATOM 1090 N GLY A 77 2.527 0.146 -8.243 1.00 0.00 N ATOM 1091 CA GLY A 77 1.726 -0.282 -9.394 1.00 0.00 C ATOM 1092 C GLY A 77 0.372 -0.883 -8.992 1.00 0.00 C ATOM 1093 O GLY A 77 -0.425 -0.178 -8.378 1.00 0.00 O ATOM 0 H GLY A 77 1.959 0.330 -7.416 1.00 0.00 H new ATOM 0 HA2 GLY A 77 1.558 0.572 -10.050 1.00 0.00 H new ATOM 0 HA3 GLY A 77 2.289 -1.019 -9.967 1.00 0.00 H new ATOM 1097 N GLU A 78 0.114 -2.164 -9.303 1.00 0.00 N ATOM 1098 CA GLU A 78 -1.190 -2.828 -9.119 1.00 0.00 C ATOM 1099 C GLU A 78 -1.096 -4.195 -8.417 1.00 0.00 C ATOM 1100 O GLU A 78 -0.050 -4.824 -8.351 1.00 0.00 O ATOM 1101 CB GLU A 78 -1.873 -3.040 -10.481 1.00 0.00 C ATOM 1102 CG GLU A 78 -2.871 -1.948 -10.904 1.00 0.00 C ATOM 1103 CD GLU A 78 -2.267 -0.619 -11.332 1.00 0.00 C ATOM 1104 OE1 GLU A 78 -1.047 -0.561 -11.578 1.00 0.00 O ATOM 1105 OE2 GLU A 78 -3.078 0.327 -11.437 1.00 0.00 O ATOM 0 H GLU A 78 0.822 -2.782 -9.699 1.00 0.00 H new ATOM 0 HA GLU A 78 -1.769 -2.163 -8.479 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -1.100 -3.117 -11.246 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -2.396 -3.996 -10.460 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -3.472 -2.333 -11.728 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -3.551 -1.764 -10.072 1.00 0.00 H new ATOM 1110 N LEU A 79 -2.266 -4.678 -8.000 1.00 0.00 N ATOM 1111 CA LEU A 79 -2.597 -6.004 -7.448 1.00 0.00 C ATOM 1112 C LEU A 79 -2.645 -7.133 -8.450 1.00 0.00 C ATOM 1113 O LEU A 79 -2.921 -8.253 -8.053 1.00 0.00 O ATOM 1114 CB LEU A 79 -3.934 -5.829 -6.697 1.00 0.00 C ATOM 1115 CG LEU A 79 -4.932 -6.998 -6.585 1.00 0.00 C ATOM 1116 CD1 LEU A 79 -4.545 -8.006 -5.508 1.00 0.00 C ATOM 1117 CD2 LEU A 79 -6.262 -6.377 -6.166 1.00 0.00 C ATOM 0 H LEU A 79 -3.099 -4.091 -8.043 1.00 0.00 H new ATOM 0 HA LEU A 79 -1.790 -6.322 -6.788 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.693 -5.515 -5.682 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.462 -5.001 -7.170 1.00 0.00 H new ATOM 0 HG LEU A 79 -4.964 -7.527 -7.537 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -5.285 -8.806 -5.476 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -3.566 -8.426 -5.738 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.508 -7.507 -4.539 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -7.015 -7.160 -6.069 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -6.141 -5.870 -5.209 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -6.581 -5.658 -6.920 1.00 0.00 H new ATOM 1128 N HIS A 80 -2.389 -6.850 -9.726 1.00 0.00 N ATOM 1129 CA HIS A 80 -2.581 -7.797 -10.814 1.00 0.00 C ATOM 1130 C HIS A 80 -4.069 -8.023 -11.019 1.00 0.00 C ATOM 1131 O HIS A 80 -4.889 -7.771 -10.130 1.00 0.00 O ATOM 1132 CB HIS A 80 -1.796 -9.083 -10.531 1.00 0.00 C ATOM 1133 CG HIS A 80 -1.439 -9.996 -11.666 1.00 0.00 C ATOM 1134 ND1 HIS A 80 -1.988 -11.204 -11.997 1.00 0.00 N ATOM 1135 CD2 HIS A 80 -0.396 -9.785 -12.520 1.00 0.00 C ATOM 1136 CE1 HIS A 80 -1.414 -11.608 -13.140 1.00 0.00 C ATOM 1137 NE2 HIS A 80 -0.416 -10.783 -13.493 1.00 0.00 N ATOM 0 H HIS A 80 -2.038 -5.943 -10.034 1.00 0.00 H new ATOM 0 HA HIS A 80 -2.187 -7.401 -11.750 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -0.867 -8.797 -10.038 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -2.372 -9.666 -9.812 1.00 0.00 H new ATOM 0 HD2 HIS A 80 0.323 -8.982 -12.453 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -1.715 -12.480 -13.701 1.00 0.00 H new ATOM 0 HE2 HIS A 80 0.198 -10.868 -14.303 1.00 0.00 H new ATOM 1144 N PRO A 81 -4.478 -8.381 -12.230 1.00 0.00 N ATOM 1145 CA PRO A 81 -5.824 -8.842 -12.408 1.00 0.00 C ATOM 1146 C PRO A 81 -5.970 -10.289 -11.986 1.00 0.00 C ATOM 1147 O PRO A 81 -7.082 -10.702 -11.679 1.00 0.00 O ATOM 1148 CB PRO A 81 -6.081 -8.704 -13.889 1.00 0.00 C ATOM 1149 CG PRO A 81 -4.706 -8.882 -14.532 1.00 0.00 C ATOM 1150 CD PRO A 81 -3.772 -8.264 -13.498 1.00 0.00 C ATOM 0 HA PRO A 81 -6.529 -8.273 -11.802 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -6.785 -9.457 -14.242 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -6.509 -7.731 -14.129 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -4.475 -9.932 -14.710 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -4.639 -8.373 -15.494 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -2.817 -8.788 -13.467 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -3.557 -7.222 -13.734 1.00 0.00 H new ATOM 1155 N ASP A 82 -4.876 -11.051 -11.922 1.00 0.00 N ATOM 1156 CA ASP A 82 -5.043 -12.511 -11.751 1.00 0.00 C ATOM 1157 C ASP A 82 -4.993 -12.878 -10.265 1.00 0.00 C ATOM 1158 O ASP A 82 -4.329 -13.821 -9.841 1.00 0.00 O ATOM 1159 CB ASP A 82 -4.095 -13.301 -12.670 1.00 0.00 C ATOM 1160 CG ASP A 82 -4.628 -14.674 -13.058 1.00 0.00 C ATOM 1161 OD1 ASP A 82 -5.781 -14.727 -13.535 1.00 0.00 O ATOM 1162 OD2 ASP A 82 -3.844 -15.638 -12.932 1.00 0.00 O ATOM 0 H ASP A 82 -3.914 -10.716 -11.981 1.00 0.00 H new ATOM 0 HA ASP A 82 -6.035 -12.815 -12.086 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -3.913 -12.722 -13.575 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -3.134 -13.421 -12.170 1.00 0.00 H new ATOM 1166 N ASP A 83 -5.670 -12.036 -9.486 1.00 0.00 N ATOM 1167 CA ASP A 83 -5.599 -11.989 -8.048 1.00 0.00 C ATOM 1168 C ASP A 83 -6.903 -11.402 -7.470 1.00 0.00 C ATOM 1169 O ASP A 83 -7.617 -12.013 -6.677 1.00 0.00 O ATOM 1170 CB ASP A 83 -4.378 -11.091 -7.798 1.00 0.00 C ATOM 1171 CG ASP A 83 -3.780 -11.454 -6.466 1.00 0.00 C ATOM 1172 OD1 ASP A 83 -4.556 -11.454 -5.490 1.00 0.00 O ATOM 1173 OD2 ASP A 83 -2.568 -11.760 -6.461 1.00 0.00 O ATOM 0 H ASP A 83 -6.310 -11.340 -9.870 1.00 0.00 H new ATOM 0 HA ASP A 83 -5.495 -12.962 -7.567 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -3.642 -11.223 -8.592 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -4.672 -10.041 -7.807 1.00 0.00 H new ATOM 1177 N ARG A 84 -7.176 -10.192 -7.957 1.00 0.00 N ATOM 1178 CA ARG A 84 -8.333 -9.324 -7.807 1.00 0.00 C ATOM 1179 C ARG A 84 -9.697 -9.975 -8.085 1.00 0.00 C ATOM 1180 O ARG A 84 -9.801 -10.718 -9.086 1.00 0.00 O ATOM 1181 CB ARG A 84 -8.031 -8.254 -8.848 1.00 0.00 C ATOM 1182 CG ARG A 84 -8.946 -7.042 -8.920 1.00 0.00 C ATOM 1183 CD ARG A 84 -8.626 -6.318 -10.238 1.00 0.00 C ATOM 1184 NE ARG A 84 -7.160 -6.191 -10.425 1.00 0.00 N ATOM 1185 CZ ARG A 84 -6.457 -5.058 -10.506 1.00 0.00 C ATOM 1186 NH1 ARG A 84 -7.023 -3.906 -10.841 1.00 0.00 N ATOM 1187 NH2 ARG A 84 -5.163 -5.087 -10.232 1.00 0.00 N ATOM 1188 OXT ARG A 84 -10.641 -9.637 -7.336 1.00 0.00 O ATOM 0 H ARG A 84 -6.484 -9.737 -8.553 1.00 0.00 H new ATOM 0 HA ARG A 84 -8.446 -8.985 -6.777 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -7.017 -7.895 -8.672 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -8.034 -8.732 -9.827 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -9.992 -7.346 -8.891 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -8.781 -6.383 -8.068 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -9.058 -6.867 -11.074 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -9.084 -5.329 -10.236 1.00 0.00 H new ATOM 0 HE ARG A 84 -6.633 -7.061 -10.500 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -8.022 -3.869 -11.045 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -6.460 -3.057 -10.894 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -4.718 -5.965 -9.964 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -4.610 -4.232 -10.289 1.00 0.00 H new TER 1199 ARG A 84 HETATM 1200 FE HEM A 201 -2.743 8.722 6.459 1.00 0.00 FE HETATM 1201 CHA HEM A 201 -3.460 11.316 8.643 1.00 0.00 C HETATM 1202 CHB HEM A 201 -1.220 11.034 4.316 1.00 0.00 C HETATM 1203 CHC HEM A 201 -2.248 6.221 4.099 1.00 0.00 C HETATM 1204 CHD HEM A 201 -4.371 6.493 8.555 1.00 0.00 C HETATM 1205 NA HEM A 201 -2.319 10.778 6.516 1.00 0.00 N HETATM 1206 C1A HEM A 201 -2.752 11.615 7.489 1.00 0.00 C HETATM 1207 C2A HEM A 201 -2.463 12.963 7.074 1.00 0.00 C HETATM 1208 C3A HEM A 201 -1.763 12.895 5.895 1.00 0.00 C HETATM 1209 C4A HEM A 201 -1.721 11.502 5.518 1.00 0.00 C HETATM 1210 CMA HEM A 201 -1.297 14.080 5.079 1.00 0.00 C HETATM 1211 CAA HEM A 201 -3.127 14.189 7.653 1.00 0.00 C HETATM 1212 CBA HEM A 201 -4.612 14.251 7.321 1.00 0.00 C HETATM 1213 CGA HEM A 201 -4.879 14.734 5.896 1.00 0.00 C HETATM 1214 O1A HEM A 201 -5.207 13.889 5.034 1.00 0.00 O HETATM 1215 O2A HEM A 201 -4.755 15.958 5.686 1.00 0.00 O HETATM 1216 NB HEM A 201 -1.855 8.633 4.606 1.00 0.00 N HETATM 1217 C1B HEM A 201 -1.293 9.700 3.937 1.00 0.00 C HETATM 1218 C2B HEM A 201 -0.785 9.216 2.681 1.00 0.00 C HETATM 1219 C3B HEM A 201 -1.064 7.876 2.643 1.00 0.00 C HETATM 1220 C4B HEM A 201 -1.766 7.501 3.839 1.00 0.00 C HETATM 1221 CMB HEM A 201 -0.192 10.066 1.593 1.00 0.00 C HETATM 1222 CAB HEM A 201 -0.485 6.893 1.658 1.00 0.00 C HETATM 1223 CBB HEM A 201 -1.170 6.519 0.559 1.00 0.00 C HETATM 1224 NC HEM A 201 -3.236 6.719 6.331 1.00 0.00 N HETATM 1225 C1C HEM A 201 -2.952 5.902 5.257 1.00 0.00 C HETATM 1226 C2C HEM A 201 -3.561 4.617 5.506 1.00 0.00 C HETATM 1227 C3C HEM A 201 -4.082 4.699 6.778 1.00 0.00 C HETATM 1228 C4C HEM A 201 -3.913 6.032 7.302 1.00 0.00 C HETATM 1229 CMC HEM A 201 -3.646 3.446 4.542 1.00 0.00 C HETATM 1230 CAC HEM A 201 -4.861 3.610 7.470 1.00 0.00 C HETATM 1231 CBC HEM A 201 -4.233 2.504 7.922 1.00 0.00 C HETATM 1232 ND HEM A 201 -3.713 8.877 8.301 1.00 0.00 N HETATM 1233 C1D HEM A 201 -4.280 7.835 8.970 1.00 0.00 C HETATM 1234 C2D HEM A 201 -4.803 8.366 10.212 1.00 0.00 C HETATM 1235 C3D HEM A 201 -4.597 9.729 10.208 1.00 0.00 C HETATM 1236 C4D HEM A 201 -3.873 10.038 8.998 1.00 0.00 C HETATM 1237 CMD HEM A 201 -5.476 7.583 11.309 1.00 0.00 C HETATM 1238 CAD HEM A 201 -4.954 10.717 11.308 1.00 0.00 C HETATM 1239 CBD HEM A 201 -6.399 10.708 11.796 1.00 0.00 C HETATM 1240 CGD HEM A 201 -6.615 11.733 12.902 1.00 0.00 C HETATM 1241 O1D HEM A 201 -6.977 11.301 14.016 1.00 0.00 O HETATM 1242 O2D HEM A 201 -6.401 12.930 12.612 1.00 0.00 O HETATM 0 HMA1 HEM A 201 -0.475 13.775 4.431 1.00 0.00 H new HETATM 0 HMA2 HEM A 201 -0.958 14.871 5.747 1.00 0.00 H new HETATM 0 HMA3 HEM A 201 -2.122 14.449 4.469 1.00 0.00 H new HETATM 0 HMB1 HEM A 201 -0.649 11.055 1.614 1.00 0.00 H new HETATM 0 HMB2 HEM A 201 -0.379 9.601 0.625 1.00 0.00 H new HETATM 0 HMB3 HEM A 201 0.883 10.160 1.749 1.00 0.00 H new HETATM 0 HMC1 HEM A 201 -3.683 3.819 3.519 1.00 0.00 H new HETATM 0 HMC2 HEM A 201 -4.547 2.868 4.750 1.00 0.00 H new HETATM 0 HMC3 HEM A 201 -2.770 2.809 4.665 1.00 0.00 H new HETATM 0 HMD1 HEM A 201 -5.288 8.066 12.268 1.00 0.00 H new HETATM 0 HMD2 HEM A 201 -5.078 6.569 11.329 1.00 0.00 H new HETATM 0 HMD3 HEM A 201 -6.550 7.547 11.125 1.00 0.00 H new HETATM 0 HBB1 HEM A 201 -0.732 5.807 -0.140 1.00 0.00 H new HETATM 0 HBB2 HEM A 201 -2.162 6.929 0.369 1.00 0.00 H new HETATM 0 HBC1 HEM A 201 -4.802 1.720 8.422 1.00 0.00 H new HETATM 0 HBC2 HEM A 201 -3.157 2.395 7.787 1.00 0.00 H new HETATM 0 HBA1 HEM A 201 -5.110 14.918 8.025 1.00 0.00 H new HETATM 0 HBA2 HEM A 201 -5.051 13.262 7.453 1.00 0.00 H new HETATM 0 HAA1 HEM A 201 -2.633 15.082 7.270 1.00 0.00 H new HETATM 0 HAA2 HEM A 201 -2.998 14.193 8.735 1.00 0.00 H new HETATM 0 HBD1 HEM A 201 -6.655 9.714 12.163 1.00 0.00 H new HETATM 0 HBD2 HEM A 201 -7.068 10.922 10.963 1.00 0.00 H new HETATM 0 HAD1 HEM A 201 -4.722 11.721 10.952 1.00 0.00 H new HETATM 0 HAD2 HEM A 201 -4.305 10.524 12.162 1.00 0.00 H new HETATM 0 HHA HEM A 201 -3.706 12.130 9.309 1.00 0.00 H new HETATM 0 HHB HEM A 201 -0.752 11.737 3.643 1.00 0.00 H new HETATM 0 HHC HEM A 201 -2.068 5.443 3.372 1.00 0.00 H new HETATM 0 HHD HEM A 201 -4.815 5.778 9.232 1.00 0.00 H new HETATM 0 HAB HEM A 201 0.506 6.477 1.838 1.00 0.00 H new HETATM 0 HAC HEM A 201 -5.937 3.716 7.606 1.00 0.00 H new