USER MOD reduce.3.24.130724 H: found=0, std=0, add=613, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 606 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 NoAdj-H: A 58 HIS HD1 : A 58 HIS ND1 : A 200 ZNZN :(H bumps) USER MOD Set 1.1: A 42 GLN : amide:sc= 0.951 K(o=2.2,f=-2) USER MOD Set 1.2: A 55 GLN : amide:sc= 1.24 K(o=2.2,f=-0.31) USER MOD Set 2.1: A 34 CYS SG : rot -155:sc= -1.84! USER MOD Set 2.2: A 37 CYS SG : rot -58:sc= 1.73 USER MOD Set 2.3: A 54 CYS SG : rot 180:sc= -1.06 USER MOD Set 3.1: A 5 CYS SG : rot -148:sc= 0.0426 USER MOD Set 3.2: A 8 CYS SG : rot -125:sc= -2.04 USER MOD Set 3.3: A 10 HIS : no HE2:sc= 1.21 K(o=-1.9,f=-7!) USER MOD Set 3.4: A 21 CYS SG : rot -81:sc= 0.0269! USER MOD Set 3.5: A 23 THR OG1 : rot 75:sc= 0.386 USER MOD Set 3.6: A 24 CYS SG : rot 17:sc= -1.56 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -116:sc= -0.055 (180deg=-0.881!) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 HIS : no HD1:sc=-0.000786 X(o=-0.00079,f=0) USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0.014) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HE2:sc= -0.379! C(o=-0.38!,f=-4.5!) USER MOD Single : A 26 LYS NZ :NH3+ 166:sc= -0.0277 (180deg=-0.233) USER MOD Single : A 29 SER OG : rot 112:sc= 0.969 USER MOD Single : A 31 GLN : amide:sc= -0.261 X(o=-0.26,f=-0.25) USER MOD Single : A 39 GLN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 CYS SG : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -0.586 K(o=-0.59,f=-3.9!) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -145:sc= 1.28 (180deg=1.1) USER MOD Single : A 64 LYS NZ :NH3+ -159:sc= -1.76! (180deg=-2.59!) USER MOD Single : A 67 ASN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 71 SER OG : rot 180:sc= -1.09 USER MOD Single : A 73 GLN : amide:sc= 1.12 K(o=1.1,f=-0.093) USER MOD Single : A 76 HIS : no HD1:sc= -0.389 X(o=-0.39,f=-0.39) USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 78 HIS : no HD1:sc= 0 X(o=0,f=-0.0057) USER MOD Single : A 79 HIS : no HD1:sc= -0.112 X(o=-0.11,f=-0.012) USER MOD Single : A 80 HIS : no HD1:sc=-0.00288 X(o=-0.0029,f=0) USER MOD Single : A 81 HIS : no HD1:sc= -0.0325 X(o=-0.033,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.740 -2.432 0.980 1.00 0.00 N ATOM 2 CA MET A 1 10.518 -2.623 2.434 1.00 0.00 C ATOM 3 C MET A 1 9.781 -1.424 3.014 1.00 0.00 C ATOM 4 O MET A 1 8.707 -1.562 3.603 1.00 0.00 O ATOM 5 CB MET A 1 11.855 -2.796 3.165 1.00 0.00 C ATOM 6 CG MET A 1 12.751 -3.879 2.585 1.00 0.00 C ATOM 7 SD MET A 1 13.249 -3.529 0.884 1.00 0.00 S ATOM 8 CE MET A 1 14.458 -4.822 0.615 1.00 0.00 C ATOM 0 H1 MET A 1 10.219 -3.160 0.451 1.00 0.00 H new ATOM 0 H2 MET A 1 10.401 -1.490 0.698 1.00 0.00 H new ATOM 0 H3 MET A 1 11.756 -2.512 0.770 1.00 0.00 H new ATOM 0 HA MET A 1 9.917 -3.522 2.571 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.392 -1.848 3.145 1.00 0.00 H new ATOM 0 HB3 MET A 1 11.656 -3.027 4.211 1.00 0.00 H new ATOM 0 HG2 MET A 1 13.640 -3.981 3.207 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.228 -4.835 2.617 1.00 0.00 H new ATOM 0 HE1 MET A 1 14.859 -4.740 -0.395 1.00 0.00 H new ATOM 0 HE2 MET A 1 15.268 -4.719 1.337 1.00 0.00 H new ATOM 0 HE3 MET A 1 13.983 -5.795 0.739 1.00 0.00 H new ATOM 20 N GLU A 2 10.371 -0.251 2.842 1.00 0.00 N ATOM 21 CA GLU A 2 9.787 0.988 3.325 1.00 0.00 C ATOM 22 C GLU A 2 9.423 1.871 2.134 1.00 0.00 C ATOM 23 O GLU A 2 9.963 1.695 1.040 1.00 0.00 O ATOM 24 CB GLU A 2 10.776 1.700 4.259 1.00 0.00 C ATOM 25 CG GLU A 2 10.240 2.978 4.892 1.00 0.00 C ATOM 26 CD GLU A 2 11.231 3.614 5.846 1.00 0.00 C ATOM 27 OE1 GLU A 2 12.180 4.271 5.372 1.00 0.00 O ATOM 28 OE2 GLU A 2 11.064 3.459 7.074 1.00 0.00 O ATOM 0 H GLU A 2 11.265 -0.133 2.365 1.00 0.00 H new ATOM 0 HA GLU A 2 8.880 0.776 3.891 1.00 0.00 H new ATOM 0 HB2 GLU A 2 11.067 1.011 5.052 1.00 0.00 H new ATOM 0 HB3 GLU A 2 11.679 1.939 3.697 1.00 0.00 H new ATOM 0 HG2 GLU A 2 9.988 3.691 4.107 1.00 0.00 H new ATOM 0 HG3 GLU A 2 9.317 2.755 5.428 1.00 0.00 H new ATOM 35 N ILE A 3 8.501 2.802 2.339 1.00 0.00 N ATOM 36 CA ILE A 3 8.059 3.683 1.268 1.00 0.00 C ATOM 37 C ILE A 3 9.112 4.744 0.959 1.00 0.00 C ATOM 38 O ILE A 3 9.133 5.823 1.551 1.00 0.00 O ATOM 39 CB ILE A 3 6.703 4.349 1.590 1.00 0.00 C ATOM 40 CG1 ILE A 3 6.701 4.927 3.011 1.00 0.00 C ATOM 41 CG2 ILE A 3 5.575 3.340 1.417 1.00 0.00 C ATOM 42 CD1 ILE A 3 5.424 5.657 3.369 1.00 0.00 C ATOM 0 H ILE A 3 8.045 2.966 3.237 1.00 0.00 H new ATOM 0 HA ILE A 3 7.921 3.062 0.383 1.00 0.00 H new ATOM 0 HB ILE A 3 6.546 5.174 0.895 1.00 0.00 H new ATOM 0 HG12 ILE A 3 6.858 4.117 3.723 1.00 0.00 H new ATOM 0 HG13 ILE A 3 7.542 5.612 3.116 1.00 0.00 H new ATOM 0 HG21 ILE A 3 4.622 3.817 1.646 1.00 0.00 H new ATOM 0 HG22 ILE A 3 5.563 2.980 0.388 1.00 0.00 H new ATOM 0 HG23 ILE A 3 5.732 2.500 2.093 1.00 0.00 H new ATOM 0 HD11 ILE A 3 5.496 6.038 4.388 1.00 0.00 H new ATOM 0 HD12 ILE A 3 5.275 6.489 2.680 1.00 0.00 H new ATOM 0 HD13 ILE A 3 4.580 4.971 3.297 1.00 0.00 H new ATOM 54 N THR A 4 10.010 4.406 0.051 1.00 0.00 N ATOM 55 CA THR A 4 11.070 5.306 -0.361 1.00 0.00 C ATOM 56 C THR A 4 11.017 5.511 -1.873 1.00 0.00 C ATOM 57 O THR A 4 11.005 4.542 -2.632 1.00 0.00 O ATOM 58 CB THR A 4 12.449 4.740 0.043 1.00 0.00 C ATOM 59 OG1 THR A 4 12.437 4.381 1.433 1.00 0.00 O ATOM 60 CG2 THR A 4 13.556 5.755 -0.209 1.00 0.00 C ATOM 0 H THR A 4 10.024 3.501 -0.420 1.00 0.00 H new ATOM 0 HA THR A 4 10.927 6.264 0.139 1.00 0.00 H new ATOM 0 HB THR A 4 12.645 3.858 -0.567 1.00 0.00 H new ATOM 0 HG1 THR A 4 13.313 4.021 1.685 1.00 0.00 H new ATOM 0 HG21 THR A 4 14.515 5.328 0.085 1.00 0.00 H new ATOM 0 HG22 THR A 4 13.582 6.010 -1.269 1.00 0.00 H new ATOM 0 HG23 THR A 4 13.365 6.655 0.376 1.00 0.00 H new ATOM 68 N CYS A 5 10.964 6.765 -2.302 1.00 0.00 N ATOM 69 CA CYS A 5 10.910 7.079 -3.724 1.00 0.00 C ATOM 70 C CYS A 5 12.282 6.883 -4.359 1.00 0.00 C ATOM 71 O CYS A 5 13.251 7.529 -3.962 1.00 0.00 O ATOM 72 CB CYS A 5 10.425 8.517 -3.938 1.00 0.00 C ATOM 73 SG CYS A 5 10.378 9.049 -5.670 1.00 0.00 S ATOM 0 H CYS A 5 10.957 7.579 -1.688 1.00 0.00 H new ATOM 0 HA CYS A 5 10.203 6.402 -4.202 1.00 0.00 H new ATOM 0 HB2 CYS A 5 9.426 8.616 -3.514 1.00 0.00 H new ATOM 0 HB3 CYS A 5 11.075 9.192 -3.382 1.00 0.00 H new ATOM 0 HG CYS A 5 10.624 10.324 -5.739 1.00 0.00 H new ATOM 78 N PRO A 6 12.380 5.997 -5.360 1.00 0.00 N ATOM 79 CA PRO A 6 13.653 5.673 -6.016 1.00 0.00 C ATOM 80 C PRO A 6 14.145 6.785 -6.944 1.00 0.00 C ATOM 81 O PRO A 6 15.181 6.650 -7.591 1.00 0.00 O ATOM 82 CB PRO A 6 13.319 4.417 -6.822 1.00 0.00 C ATOM 83 CG PRO A 6 11.863 4.531 -7.115 1.00 0.00 C ATOM 84 CD PRO A 6 11.253 5.232 -5.931 1.00 0.00 C ATOM 0 HA PRO A 6 14.457 5.540 -5.293 1.00 0.00 H new ATOM 0 HB2 PRO A 6 13.905 4.368 -7.740 1.00 0.00 H new ATOM 0 HB3 PRO A 6 13.539 3.513 -6.255 1.00 0.00 H new ATOM 0 HG2 PRO A 6 11.693 5.095 -8.032 1.00 0.00 H new ATOM 0 HG3 PRO A 6 11.416 3.547 -7.258 1.00 0.00 H new ATOM 0 HD2 PRO A 6 10.435 5.887 -6.231 1.00 0.00 H new ATOM 0 HD3 PRO A 6 10.845 4.522 -5.211 1.00 0.00 H new ATOM 92 N VAL A 7 13.393 7.878 -7.010 1.00 0.00 N ATOM 93 CA VAL A 7 13.756 9.004 -7.859 1.00 0.00 C ATOM 94 C VAL A 7 14.542 10.047 -7.066 1.00 0.00 C ATOM 95 O VAL A 7 15.411 10.734 -7.605 1.00 0.00 O ATOM 96 CB VAL A 7 12.501 9.666 -8.478 1.00 0.00 C ATOM 97 CG1 VAL A 7 12.887 10.750 -9.475 1.00 0.00 C ATOM 98 CG2 VAL A 7 11.616 8.619 -9.139 1.00 0.00 C ATOM 0 H VAL A 7 12.528 8.007 -6.485 1.00 0.00 H new ATOM 0 HA VAL A 7 14.381 8.618 -8.664 1.00 0.00 H new ATOM 0 HB VAL A 7 11.937 10.137 -7.673 1.00 0.00 H new ATOM 0 HG11 VAL A 7 11.985 11.197 -9.894 1.00 0.00 H new ATOM 0 HG12 VAL A 7 13.472 11.518 -8.969 1.00 0.00 H new ATOM 0 HG13 VAL A 7 13.481 10.312 -10.277 1.00 0.00 H new ATOM 0 HG21 VAL A 7 10.739 9.103 -9.569 1.00 0.00 H new ATOM 0 HG22 VAL A 7 12.175 8.115 -9.927 1.00 0.00 H new ATOM 0 HG23 VAL A 7 11.299 7.888 -8.395 1.00 0.00 H new ATOM 108 N CYS A 8 14.238 10.152 -5.777 1.00 0.00 N ATOM 109 CA CYS A 8 14.882 11.140 -4.921 1.00 0.00 C ATOM 110 C CYS A 8 15.572 10.478 -3.732 1.00 0.00 C ATOM 111 O CYS A 8 16.278 11.140 -2.970 1.00 0.00 O ATOM 112 CB CYS A 8 13.845 12.145 -4.427 1.00 0.00 C ATOM 113 SG CYS A 8 12.421 11.377 -3.615 1.00 0.00 S ATOM 0 H CYS A 8 13.551 9.566 -5.303 1.00 0.00 H new ATOM 0 HA CYS A 8 15.643 11.655 -5.507 1.00 0.00 H new ATOM 0 HB2 CYS A 8 14.322 12.834 -3.730 1.00 0.00 H new ATOM 0 HB3 CYS A 8 13.495 12.738 -5.272 1.00 0.00 H new ATOM 0 HG CYS A 8 11.326 11.775 -4.191 1.00 0.00 H new ATOM 118 N HIS A 9 15.337 9.177 -3.572 1.00 0.00 N ATOM 119 CA HIS A 9 15.925 8.390 -2.486 1.00 0.00 C ATOM 120 C HIS A 9 15.477 8.936 -1.128 1.00 0.00 C ATOM 121 O HIS A 9 16.210 8.874 -0.142 1.00 0.00 O ATOM 122 CB HIS A 9 17.457 8.380 -2.600 1.00 0.00 C ATOM 123 CG HIS A 9 18.108 7.205 -1.932 1.00 0.00 C ATOM 124 ND1 HIS A 9 18.262 5.985 -2.552 1.00 0.00 N ATOM 125 CD2 HIS A 9 18.652 7.068 -0.701 1.00 0.00 C ATOM 126 CE1 HIS A 9 18.870 5.150 -1.734 1.00 0.00 C ATOM 127 NE2 HIS A 9 19.119 5.780 -0.602 1.00 0.00 N ATOM 0 H HIS A 9 14.733 8.637 -4.192 1.00 0.00 H new ATOM 0 HA HIS A 9 15.574 7.361 -2.569 1.00 0.00 H new ATOM 0 HB2 HIS A 9 17.733 8.385 -3.654 1.00 0.00 H new ATOM 0 HB3 HIS A 9 17.850 9.298 -2.163 1.00 0.00 H new ATOM 0 HD2 HIS A 9 18.709 7.830 0.062 1.00 0.00 H new ATOM 0 HE1 HIS A 9 19.122 4.123 -1.953 1.00 0.00 H new ATOM 0 HE2 HIS A 9 19.582 5.377 0.213 1.00 0.00 H new ATOM 136 N HIS A 10 14.258 9.455 -1.084 1.00 0.00 N ATOM 137 CA HIS A 10 13.696 10.009 0.144 1.00 0.00 C ATOM 138 C HIS A 10 12.510 9.179 0.616 1.00 0.00 C ATOM 139 O HIS A 10 11.742 8.660 -0.201 1.00 0.00 O ATOM 140 CB HIS A 10 13.247 11.459 -0.071 1.00 0.00 C ATOM 141 CG HIS A 10 14.337 12.476 0.081 1.00 0.00 C ATOM 142 ND1 HIS A 10 15.363 12.638 -0.827 1.00 0.00 N ATOM 143 CD2 HIS A 10 14.546 13.402 1.047 1.00 0.00 C ATOM 144 CE1 HIS A 10 16.151 13.619 -0.426 1.00 0.00 C ATOM 145 NE2 HIS A 10 15.676 14.099 0.707 1.00 0.00 N ATOM 0 H HIS A 10 13.634 9.505 -1.889 1.00 0.00 H new ATOM 0 HA HIS A 10 14.475 9.985 0.906 1.00 0.00 H new ATOM 0 HB2 HIS A 10 12.820 11.549 -1.070 1.00 0.00 H new ATOM 0 HB3 HIS A 10 12.452 11.689 0.638 1.00 0.00 H new ATOM 0 HD1 HIS A 10 15.493 12.086 -1.675 1.00 0.00 H new ATOM 0 HD2 HIS A 10 13.935 13.562 1.923 1.00 0.00 H new ATOM 0 HE1 HIS A 10 17.035 13.969 -0.939 1.00 0.00 H new ATOM 154 N ALA A 11 12.375 9.043 1.931 1.00 0.00 N ATOM 155 CA ALA A 11 11.222 8.373 2.519 1.00 0.00 C ATOM 156 C ALA A 11 9.973 9.228 2.337 1.00 0.00 C ATOM 157 O ALA A 11 10.026 10.453 2.470 1.00 0.00 O ATOM 158 CB ALA A 11 11.465 8.083 3.993 1.00 0.00 C ATOM 0 H ALA A 11 13.052 9.389 2.611 1.00 0.00 H new ATOM 0 HA ALA A 11 11.071 7.422 2.008 1.00 0.00 H new ATOM 0 HB1 ALA A 11 10.593 7.583 4.414 1.00 0.00 H new ATOM 0 HB2 ALA A 11 12.338 7.439 4.098 1.00 0.00 H new ATOM 0 HB3 ALA A 11 11.638 9.019 4.524 1.00 0.00 H new ATOM 164 N LEU A 12 8.859 8.586 2.033 1.00 0.00 N ATOM 165 CA LEU A 12 7.639 9.299 1.680 1.00 0.00 C ATOM 166 C LEU A 12 6.688 9.412 2.863 1.00 0.00 C ATOM 167 O LEU A 12 6.818 8.694 3.855 1.00 0.00 O ATOM 168 CB LEU A 12 6.943 8.589 0.521 1.00 0.00 C ATOM 169 CG LEU A 12 7.808 8.405 -0.723 1.00 0.00 C ATOM 170 CD1 LEU A 12 7.021 7.717 -1.825 1.00 0.00 C ATOM 171 CD2 LEU A 12 8.341 9.747 -1.193 1.00 0.00 C ATOM 0 H LEU A 12 8.772 7.570 2.023 1.00 0.00 H new ATOM 0 HA LEU A 12 7.918 10.309 1.381 1.00 0.00 H new ATOM 0 HB2 LEU A 12 6.606 7.610 0.862 1.00 0.00 H new ATOM 0 HB3 LEU A 12 6.052 9.155 0.248 1.00 0.00 H new ATOM 0 HG LEU A 12 8.655 7.768 -0.469 1.00 0.00 H new ATOM 0 HD11 LEU A 12 7.655 7.595 -2.703 1.00 0.00 H new ATOM 0 HD12 LEU A 12 6.689 6.738 -1.478 1.00 0.00 H new ATOM 0 HD13 LEU A 12 6.153 8.323 -2.085 1.00 0.00 H new ATOM 0 HD21 LEU A 12 8.957 9.603 -2.081 1.00 0.00 H new ATOM 0 HD22 LEU A 12 7.507 10.406 -1.433 1.00 0.00 H new ATOM 0 HD23 LEU A 12 8.943 10.196 -0.403 1.00 0.00 H new ATOM 183 N GLU A 13 5.728 10.319 2.746 1.00 0.00 N ATOM 184 CA GLU A 13 4.709 10.488 3.767 1.00 0.00 C ATOM 185 C GLU A 13 3.467 9.693 3.390 1.00 0.00 C ATOM 186 O GLU A 13 2.969 9.799 2.268 1.00 0.00 O ATOM 187 CB GLU A 13 4.361 11.968 3.942 1.00 0.00 C ATOM 188 CG GLU A 13 3.369 12.228 5.064 1.00 0.00 C ATOM 189 CD GLU A 13 3.874 11.736 6.406 1.00 0.00 C ATOM 190 OE1 GLU A 13 3.708 10.535 6.706 1.00 0.00 O ATOM 191 OE2 GLU A 13 4.445 12.547 7.163 1.00 0.00 O ATOM 0 H GLU A 13 5.635 10.950 1.950 1.00 0.00 H new ATOM 0 HA GLU A 13 5.097 10.116 4.715 1.00 0.00 H new ATOM 0 HB2 GLU A 13 5.275 12.527 4.139 1.00 0.00 H new ATOM 0 HB3 GLU A 13 3.949 12.349 3.008 1.00 0.00 H new ATOM 0 HG2 GLU A 13 3.165 13.297 5.125 1.00 0.00 H new ATOM 0 HG3 GLU A 13 2.424 11.736 4.832 1.00 0.00 H new ATOM 198 N ARG A 14 2.970 8.903 4.328 1.00 0.00 N ATOM 199 CA ARG A 14 1.833 8.037 4.067 1.00 0.00 C ATOM 200 C ARG A 14 0.553 8.650 4.622 1.00 0.00 C ATOM 201 O ARG A 14 0.368 8.729 5.839 1.00 0.00 O ATOM 202 CB ARG A 14 2.067 6.656 4.692 1.00 0.00 C ATOM 203 CG ARG A 14 0.916 5.681 4.491 1.00 0.00 C ATOM 204 CD ARG A 14 1.142 4.385 5.255 1.00 0.00 C ATOM 205 NE ARG A 14 2.306 3.642 4.764 1.00 0.00 N ATOM 206 CZ ARG A 14 3.107 2.910 5.543 1.00 0.00 C ATOM 207 NH1 ARG A 14 2.911 2.863 6.854 1.00 0.00 N ATOM 208 NH2 ARG A 14 4.115 2.229 5.009 1.00 0.00 N ATOM 0 H ARG A 14 3.337 8.844 5.278 1.00 0.00 H new ATOM 0 HA ARG A 14 1.725 7.926 2.988 1.00 0.00 H new ATOM 0 HB2 ARG A 14 2.973 6.225 4.266 1.00 0.00 H new ATOM 0 HB3 ARG A 14 2.244 6.778 5.761 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -0.015 6.142 4.822 1.00 0.00 H new ATOM 0 HG3 ARG A 14 0.804 5.463 3.429 1.00 0.00 H new ATOM 0 HD2 ARG A 14 1.278 4.609 6.313 1.00 0.00 H new ATOM 0 HD3 ARG A 14 0.254 3.759 5.173 1.00 0.00 H new ATOM 0 HE ARG A 14 2.517 3.687 3.767 1.00 0.00 H new ATOM 0 HH11 ARG A 14 2.144 3.388 7.274 1.00 0.00 H new ATOM 0 HH12 ARG A 14 3.527 2.302 7.442 1.00 0.00 H new ATOM 0 HH21 ARG A 14 4.278 2.265 4.003 1.00 0.00 H new ATOM 0 HH22 ARG A 14 4.726 1.671 5.605 1.00 0.00 H new ATOM 222 N ASN A 15 -0.323 9.085 3.732 1.00 0.00 N ATOM 223 CA ASN A 15 -1.603 9.643 4.134 1.00 0.00 C ATOM 224 C ASN A 15 -2.738 8.842 3.505 1.00 0.00 C ATOM 225 O ASN A 15 -3.200 9.150 2.405 1.00 0.00 O ATOM 226 CB ASN A 15 -1.704 11.122 3.737 1.00 0.00 C ATOM 227 CG ASN A 15 -2.973 11.776 4.252 1.00 0.00 C ATOM 228 OD1 ASN A 15 -4.013 11.754 3.593 1.00 0.00 O ATOM 229 ND2 ASN A 15 -2.895 12.380 5.427 1.00 0.00 N ATOM 0 H ASN A 15 -0.170 9.062 2.724 1.00 0.00 H new ATOM 0 HA ASN A 15 -1.684 9.581 5.219 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -0.839 11.659 4.125 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -1.670 11.207 2.651 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -3.714 12.848 5.815 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -2.016 12.377 5.944 1.00 0.00 H new ATOM 236 N GLY A 16 -3.148 7.783 4.193 1.00 0.00 N ATOM 237 CA GLY A 16 -4.230 6.946 3.709 1.00 0.00 C ATOM 238 C GLY A 16 -3.910 6.280 2.385 1.00 0.00 C ATOM 239 O GLY A 16 -2.950 5.516 2.278 1.00 0.00 O ATOM 0 H GLY A 16 -2.747 7.488 5.083 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -4.451 6.180 4.452 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -5.130 7.551 3.598 1.00 0.00 H new ATOM 243 N ASP A 17 -4.706 6.598 1.369 1.00 0.00 N ATOM 244 CA ASP A 17 -4.576 5.987 0.048 1.00 0.00 C ATOM 245 C ASP A 17 -3.419 6.574 -0.746 1.00 0.00 C ATOM 246 O ASP A 17 -3.067 6.056 -1.804 1.00 0.00 O ATOM 247 CB ASP A 17 -5.864 6.178 -0.759 1.00 0.00 C ATOM 248 CG ASP A 17 -6.952 5.197 -0.388 1.00 0.00 C ATOM 249 OD1 ASP A 17 -7.696 5.462 0.578 1.00 0.00 O ATOM 250 OD2 ASP A 17 -7.078 4.158 -1.075 1.00 0.00 O ATOM 0 H ASP A 17 -5.458 7.284 1.436 1.00 0.00 H new ATOM 0 HA ASP A 17 -4.383 4.927 0.213 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -6.232 7.193 -0.608 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -5.638 6.075 -1.820 1.00 0.00 H new ATOM 255 N THR A 18 -2.838 7.655 -0.255 1.00 0.00 N ATOM 256 CA THR A 18 -1.829 8.368 -1.015 1.00 0.00 C ATOM 257 C THR A 18 -0.533 8.548 -0.228 1.00 0.00 C ATOM 258 O THR A 18 -0.546 8.889 0.955 1.00 0.00 O ATOM 259 CB THR A 18 -2.359 9.749 -1.453 1.00 0.00 C ATOM 260 OG1 THR A 18 -3.647 9.599 -2.068 1.00 0.00 O ATOM 261 CG2 THR A 18 -1.404 10.418 -2.432 1.00 0.00 C ATOM 0 H THR A 18 -3.046 8.055 0.660 1.00 0.00 H new ATOM 0 HA THR A 18 -1.608 7.762 -1.893 1.00 0.00 H new ATOM 0 HB THR A 18 -2.441 10.379 -0.567 1.00 0.00 H new ATOM 0 HG1 THR A 18 -3.982 10.478 -2.344 1.00 0.00 H new ATOM 0 HG21 THR A 18 -1.803 11.389 -2.723 1.00 0.00 H new ATOM 0 HG22 THR A 18 -0.432 10.553 -1.958 1.00 0.00 H new ATOM 0 HG23 THR A 18 -1.292 9.791 -3.317 1.00 0.00 H new ATOM 269 N ALA A 19 0.579 8.298 -0.898 1.00 0.00 N ATOM 270 CA ALA A 19 1.889 8.607 -0.361 1.00 0.00 C ATOM 271 C ALA A 19 2.483 9.746 -1.167 1.00 0.00 C ATOM 272 O ALA A 19 2.780 9.592 -2.355 1.00 0.00 O ATOM 273 CB ALA A 19 2.801 7.393 -0.415 1.00 0.00 C ATOM 0 H ALA A 19 0.597 7.876 -1.827 1.00 0.00 H new ATOM 0 HA ALA A 19 1.791 8.898 0.685 1.00 0.00 H new ATOM 0 HB1 ALA A 19 3.777 7.653 -0.006 1.00 0.00 H new ATOM 0 HB2 ALA A 19 2.365 6.584 0.172 1.00 0.00 H new ATOM 0 HB3 ALA A 19 2.916 7.070 -1.450 1.00 0.00 H new ATOM 279 N HIS A 20 2.628 10.893 -0.533 1.00 0.00 N ATOM 280 CA HIS A 20 3.062 12.083 -1.240 1.00 0.00 C ATOM 281 C HIS A 20 4.577 12.215 -1.200 1.00 0.00 C ATOM 282 O HIS A 20 5.197 12.110 -0.142 1.00 0.00 O ATOM 283 CB HIS A 20 2.398 13.338 -0.664 1.00 0.00 C ATOM 284 CG HIS A 20 2.694 14.581 -1.448 1.00 0.00 C ATOM 285 ND1 HIS A 20 2.038 14.913 -2.614 1.00 0.00 N ATOM 286 CD2 HIS A 20 3.590 15.568 -1.232 1.00 0.00 C ATOM 287 CE1 HIS A 20 2.519 16.053 -3.076 1.00 0.00 C ATOM 288 NE2 HIS A 20 3.462 16.469 -2.255 1.00 0.00 N ATOM 0 H HIS A 20 2.453 11.027 0.463 1.00 0.00 H new ATOM 0 HA HIS A 20 2.754 11.983 -2.281 1.00 0.00 H new ATOM 0 HB2 HIS A 20 1.319 13.187 -0.631 1.00 0.00 H new ATOM 0 HB3 HIS A 20 2.732 13.478 0.364 1.00 0.00 H new ATOM 0 HD1 HIS A 20 1.298 14.364 -3.051 1.00 0.00 H new ATOM 0 HD2 HIS A 20 4.281 15.634 -0.404 1.00 0.00 H new ATOM 0 HE1 HIS A 20 2.195 16.558 -3.974 1.00 0.00 H new ATOM 297 N CYS A 21 5.160 12.427 -2.367 1.00 0.00 N ATOM 298 CA CYS A 21 6.595 12.609 -2.494 1.00 0.00 C ATOM 299 C CYS A 21 6.932 14.095 -2.524 1.00 0.00 C ATOM 300 O CYS A 21 6.606 14.781 -3.493 1.00 0.00 O ATOM 301 CB CYS A 21 7.076 11.933 -3.780 1.00 0.00 C ATOM 302 SG CYS A 21 8.868 11.827 -3.960 1.00 0.00 S ATOM 0 H CYS A 21 4.653 12.478 -3.251 1.00 0.00 H new ATOM 0 HA CYS A 21 7.097 12.157 -1.638 1.00 0.00 H new ATOM 0 HB2 CYS A 21 6.661 10.926 -3.820 1.00 0.00 H new ATOM 0 HB3 CYS A 21 6.672 12.478 -4.633 1.00 0.00 H new ATOM 0 HG CYS A 21 9.329 12.964 -4.389 1.00 0.00 H new ATOM 307 N GLU A 22 7.574 14.587 -1.464 1.00 0.00 N ATOM 308 CA GLU A 22 7.930 16.004 -1.372 1.00 0.00 C ATOM 309 C GLU A 22 8.947 16.370 -2.450 1.00 0.00 C ATOM 310 O GLU A 22 8.602 17.008 -3.446 1.00 0.00 O ATOM 311 CB GLU A 22 8.493 16.333 0.013 1.00 0.00 C ATOM 312 CG GLU A 22 7.593 15.910 1.163 1.00 0.00 C ATOM 313 CD GLU A 22 6.204 16.507 1.078 1.00 0.00 C ATOM 314 OE1 GLU A 22 6.085 17.720 0.802 1.00 0.00 O ATOM 315 OE2 GLU A 22 5.223 15.774 1.314 1.00 0.00 O ATOM 0 H GLU A 22 7.858 14.028 -0.659 1.00 0.00 H new ATOM 0 HA GLU A 22 7.025 16.591 -1.527 1.00 0.00 H new ATOM 0 HB2 GLU A 22 9.462 15.846 0.125 1.00 0.00 H new ATOM 0 HB3 GLU A 22 8.667 17.407 0.077 1.00 0.00 H new ATOM 0 HG2 GLU A 22 7.515 14.823 1.175 1.00 0.00 H new ATOM 0 HG3 GLU A 22 8.053 16.207 2.105 1.00 0.00 H new ATOM 322 N THR A 23 10.196 15.956 -2.253 1.00 0.00 N ATOM 323 CA THR A 23 11.218 16.127 -3.277 1.00 0.00 C ATOM 324 C THR A 23 10.835 15.312 -4.504 1.00 0.00 C ATOM 325 O THR A 23 10.510 14.135 -4.381 1.00 0.00 O ATOM 326 CB THR A 23 12.608 15.697 -2.764 1.00 0.00 C ATOM 327 OG1 THR A 23 12.527 14.419 -2.118 1.00 0.00 O ATOM 328 CG2 THR A 23 13.167 16.724 -1.795 1.00 0.00 C ATOM 0 H THR A 23 10.522 15.503 -1.399 1.00 0.00 H new ATOM 0 HA THR A 23 11.277 17.184 -3.537 1.00 0.00 H new ATOM 0 HB THR A 23 13.277 15.624 -3.622 1.00 0.00 H new ATOM 0 HG1 THR A 23 12.430 13.716 -2.794 1.00 0.00 H new ATOM 0 HG21 THR A 23 14.148 16.400 -1.447 1.00 0.00 H new ATOM 0 HG22 THR A 23 13.261 17.686 -2.299 1.00 0.00 H new ATOM 0 HG23 THR A 23 12.494 16.825 -0.943 1.00 0.00 H new ATOM 336 N CYS A 24 10.869 15.941 -5.676 1.00 0.00 N ATOM 337 CA CYS A 24 10.272 15.395 -6.902 1.00 0.00 C ATOM 338 C CYS A 24 8.842 14.922 -6.621 1.00 0.00 C ATOM 339 O CYS A 24 8.622 13.782 -6.160 1.00 0.00 O ATOM 340 CB CYS A 24 11.124 14.267 -7.532 1.00 0.00 C ATOM 341 SG CYS A 24 11.064 12.660 -6.688 1.00 0.00 S ATOM 0 H CYS A 24 11.313 16.850 -5.808 1.00 0.00 H new ATOM 0 HA CYS A 24 10.243 16.198 -7.639 1.00 0.00 H new ATOM 0 HB2 CYS A 24 10.800 14.126 -8.563 1.00 0.00 H new ATOM 0 HB3 CYS A 24 12.162 14.599 -7.567 1.00 0.00 H new ATOM 0 HG CYS A 24 10.033 12.624 -5.897 1.00 0.00 H new ATOM 346 N ALA A 25 7.894 15.825 -6.850 1.00 0.00 N ATOM 347 CA ALA A 25 6.486 15.590 -6.560 1.00 0.00 C ATOM 348 C ALA A 25 5.927 14.417 -7.352 1.00 0.00 C ATOM 349 O ALA A 25 5.884 14.438 -8.582 1.00 0.00 O ATOM 350 CB ALA A 25 5.679 16.847 -6.840 1.00 0.00 C ATOM 0 H ALA A 25 8.084 16.746 -7.245 1.00 0.00 H new ATOM 0 HA ALA A 25 6.406 15.336 -5.503 1.00 0.00 H new ATOM 0 HB1 ALA A 25 4.628 16.661 -6.620 1.00 0.00 H new ATOM 0 HB2 ALA A 25 6.043 17.660 -6.212 1.00 0.00 H new ATOM 0 HB3 ALA A 25 5.787 17.123 -7.889 1.00 0.00 H new ATOM 356 N LYS A 26 5.512 13.399 -6.618 1.00 0.00 N ATOM 357 CA LYS A 26 4.913 12.197 -7.182 1.00 0.00 C ATOM 358 C LYS A 26 3.957 11.609 -6.154 1.00 0.00 C ATOM 359 O LYS A 26 4.355 11.351 -5.019 1.00 0.00 O ATOM 360 CB LYS A 26 5.987 11.157 -7.549 1.00 0.00 C ATOM 361 CG LYS A 26 6.863 11.553 -8.730 1.00 0.00 C ATOM 362 CD LYS A 26 7.932 10.509 -9.026 1.00 0.00 C ATOM 363 CE LYS A 26 7.341 9.209 -9.556 1.00 0.00 C ATOM 364 NZ LYS A 26 6.617 9.399 -10.841 1.00 0.00 N ATOM 0 H LYS A 26 5.582 13.382 -5.601 1.00 0.00 H new ATOM 0 HA LYS A 26 4.380 12.459 -8.096 1.00 0.00 H new ATOM 0 HB2 LYS A 26 6.623 10.987 -6.680 1.00 0.00 H new ATOM 0 HB3 LYS A 26 5.497 10.210 -7.776 1.00 0.00 H new ATOM 0 HG2 LYS A 26 6.239 11.693 -9.613 1.00 0.00 H new ATOM 0 HG3 LYS A 26 7.340 12.511 -8.522 1.00 0.00 H new ATOM 0 HD2 LYS A 26 8.635 10.910 -9.756 1.00 0.00 H new ATOM 0 HD3 LYS A 26 8.498 10.304 -8.117 1.00 0.00 H new ATOM 0 HE2 LYS A 26 8.139 8.480 -9.696 1.00 0.00 H new ATOM 0 HE3 LYS A 26 6.658 8.795 -8.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 6.440 8.473 -11.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 5.710 9.876 -10.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 7.194 9.981 -11.482 1.00 0.00 H new ATOM 378 N ASP A 27 2.704 11.431 -6.527 1.00 0.00 N ATOM 379 CA ASP A 27 1.721 10.879 -5.603 1.00 0.00 C ATOM 380 C ASP A 27 1.513 9.403 -5.882 1.00 0.00 C ATOM 381 O ASP A 27 0.999 9.019 -6.935 1.00 0.00 O ATOM 382 CB ASP A 27 0.391 11.633 -5.690 1.00 0.00 C ATOM 383 CG ASP A 27 0.480 13.049 -5.152 1.00 0.00 C ATOM 384 OD1 ASP A 27 0.433 13.232 -3.916 1.00 0.00 O ATOM 385 OD2 ASP A 27 0.605 13.990 -5.963 1.00 0.00 O ATOM 0 H ASP A 27 2.341 11.657 -7.453 1.00 0.00 H new ATOM 0 HA ASP A 27 2.105 10.997 -4.590 1.00 0.00 H new ATOM 0 HB2 ASP A 27 0.064 11.664 -6.729 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -0.369 11.085 -5.133 1.00 0.00 H new ATOM 390 N PHE A 28 1.940 8.572 -4.946 1.00 0.00 N ATOM 391 CA PHE A 28 1.836 7.131 -5.097 1.00 0.00 C ATOM 392 C PHE A 28 0.628 6.598 -4.342 1.00 0.00 C ATOM 393 O PHE A 28 0.512 6.790 -3.134 1.00 0.00 O ATOM 394 CB PHE A 28 3.104 6.442 -4.584 1.00 0.00 C ATOM 395 CG PHE A 28 4.360 6.848 -5.300 1.00 0.00 C ATOM 396 CD1 PHE A 28 4.748 6.205 -6.465 1.00 0.00 C ATOM 397 CD2 PHE A 28 5.158 7.867 -4.804 1.00 0.00 C ATOM 398 CE1 PHE A 28 5.909 6.568 -7.119 1.00 0.00 C ATOM 399 CE2 PHE A 28 6.318 8.235 -5.454 1.00 0.00 C ATOM 400 CZ PHE A 28 6.694 7.586 -6.613 1.00 0.00 C ATOM 0 H PHE A 28 2.364 8.873 -4.069 1.00 0.00 H new ATOM 0 HA PHE A 28 1.717 6.913 -6.158 1.00 0.00 H new ATOM 0 HB2 PHE A 28 3.218 6.660 -3.522 1.00 0.00 H new ATOM 0 HB3 PHE A 28 2.980 5.363 -4.676 1.00 0.00 H new ATOM 0 HD1 PHE A 28 4.135 5.411 -6.866 1.00 0.00 H new ATOM 0 HD2 PHE A 28 4.868 8.379 -3.898 1.00 0.00 H new ATOM 0 HE1 PHE A 28 6.203 6.057 -8.024 1.00 0.00 H new ATOM 0 HE2 PHE A 28 6.931 9.030 -5.056 1.00 0.00 H new ATOM 0 HZ PHE A 28 7.601 7.874 -7.124 1.00 0.00 H new ATOM 410 N SER A 29 -0.273 5.949 -5.054 1.00 0.00 N ATOM 411 CA SER A 29 -1.406 5.297 -4.427 1.00 0.00 C ATOM 412 C SER A 29 -0.938 4.077 -3.639 1.00 0.00 C ATOM 413 O SER A 29 -0.313 3.179 -4.193 1.00 0.00 O ATOM 414 CB SER A 29 -2.416 4.900 -5.505 1.00 0.00 C ATOM 415 OG SER A 29 -1.765 4.692 -6.751 1.00 0.00 O ATOM 0 H SER A 29 -0.242 5.859 -6.070 1.00 0.00 H new ATOM 0 HA SER A 29 -1.887 5.982 -3.729 1.00 0.00 H new ATOM 0 HB2 SER A 29 -2.937 3.991 -5.205 1.00 0.00 H new ATOM 0 HB3 SER A 29 -3.170 5.680 -5.609 1.00 0.00 H new ATOM 0 HG SER A 29 -1.804 3.741 -6.986 1.00 0.00 H new ATOM 421 N LEU A 30 -1.216 4.052 -2.346 1.00 0.00 N ATOM 422 CA LEU A 30 -0.773 2.952 -1.500 1.00 0.00 C ATOM 423 C LEU A 30 -1.924 2.037 -1.128 1.00 0.00 C ATOM 424 O LEU A 30 -3.048 2.487 -0.912 1.00 0.00 O ATOM 425 CB LEU A 30 -0.106 3.465 -0.224 1.00 0.00 C ATOM 426 CG LEU A 30 1.279 4.086 -0.406 1.00 0.00 C ATOM 427 CD1 LEU A 30 1.897 4.386 0.949 1.00 0.00 C ATOM 428 CD2 LEU A 30 2.184 3.164 -1.209 1.00 0.00 C ATOM 0 H LEU A 30 -1.744 4.776 -1.859 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.045 2.385 -2.080 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.760 4.207 0.233 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.023 2.637 0.480 1.00 0.00 H new ATOM 0 HG LEU A 30 1.169 5.019 -0.959 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.883 4.828 0.809 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.260 5.084 1.493 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.991 3.461 1.519 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.164 3.627 -1.326 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.292 2.214 -0.686 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.746 2.990 -2.192 1.00 0.00 H new ATOM 440 N GLN A 31 -1.626 0.748 -1.072 1.00 0.00 N ATOM 441 CA GLN A 31 -2.570 -0.255 -0.609 1.00 0.00 C ATOM 442 C GLN A 31 -1.854 -1.247 0.294 1.00 0.00 C ATOM 443 O GLN A 31 -0.758 -1.707 -0.028 1.00 0.00 O ATOM 444 CB GLN A 31 -3.217 -0.982 -1.793 1.00 0.00 C ATOM 445 CG GLN A 31 -4.212 -0.124 -2.559 1.00 0.00 C ATOM 446 CD GLN A 31 -5.394 0.285 -1.702 1.00 0.00 C ATOM 447 OE1 GLN A 31 -5.807 -0.449 -0.807 1.00 0.00 O ATOM 448 NE2 GLN A 31 -5.934 1.465 -1.956 1.00 0.00 N ATOM 0 H GLN A 31 -0.720 0.368 -1.347 1.00 0.00 H new ATOM 0 HA GLN A 31 -3.361 0.240 -0.046 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -2.436 -1.316 -2.476 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -3.724 -1.875 -1.428 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -3.709 0.769 -2.931 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -4.569 -0.674 -3.429 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -5.562 2.045 -2.708 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -6.723 1.795 -1.400 1.00 0.00 H new ATOM 457 N ALA A 32 -2.457 -1.553 1.431 1.00 0.00 N ATOM 458 CA ALA A 32 -1.850 -2.462 2.393 1.00 0.00 C ATOM 459 C ALA A 32 -1.891 -3.895 1.879 1.00 0.00 C ATOM 460 O ALA A 32 -2.960 -4.428 1.596 1.00 0.00 O ATOM 461 CB ALA A 32 -2.553 -2.357 3.741 1.00 0.00 C ATOM 0 H ALA A 32 -3.366 -1.186 1.712 1.00 0.00 H new ATOM 0 HA ALA A 32 -0.806 -2.176 2.524 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -2.087 -3.043 4.449 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -2.470 -1.337 4.116 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -3.605 -2.616 3.624 1.00 0.00 H new ATOM 467 N LEU A 33 -0.724 -4.508 1.739 1.00 0.00 N ATOM 468 CA LEU A 33 -0.649 -5.889 1.294 1.00 0.00 C ATOM 469 C LEU A 33 0.017 -6.749 2.357 1.00 0.00 C ATOM 470 O LEU A 33 0.754 -6.248 3.211 1.00 0.00 O ATOM 471 CB LEU A 33 0.118 -5.997 -0.026 1.00 0.00 C ATOM 472 CG LEU A 33 -0.573 -6.831 -1.107 1.00 0.00 C ATOM 473 CD1 LEU A 33 -1.916 -6.219 -1.476 1.00 0.00 C ATOM 474 CD2 LEU A 33 0.315 -6.952 -2.335 1.00 0.00 C ATOM 0 H LEU A 33 0.179 -4.072 1.927 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.665 -6.249 1.131 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.286 -4.993 -0.415 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.098 -6.429 0.175 1.00 0.00 H new ATOM 0 HG LEU A 33 -0.749 -7.831 -0.711 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.393 -6.825 -2.246 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -2.555 -6.185 -0.594 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -1.764 -5.208 -1.853 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.192 -7.548 -3.093 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.523 -5.959 -2.733 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.252 -7.436 -2.060 1.00 0.00 H new ATOM 486 N CYS A 34 -0.224 -8.043 2.282 1.00 0.00 N ATOM 487 CA CYS A 34 0.265 -8.976 3.282 1.00 0.00 C ATOM 488 C CYS A 34 1.565 -9.620 2.811 1.00 0.00 C ATOM 489 O CYS A 34 1.574 -10.331 1.809 1.00 0.00 O ATOM 490 CB CYS A 34 -0.791 -10.065 3.521 1.00 0.00 C ATOM 491 SG CYS A 34 -0.893 -10.694 5.220 1.00 0.00 S ATOM 0 H CYS A 34 -0.761 -8.477 1.531 1.00 0.00 H new ATOM 0 HA CYS A 34 0.455 -8.437 4.210 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -1.767 -9.669 3.240 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -0.582 -10.902 2.854 1.00 0.00 H new ATOM 0 HG CYS A 34 -1.376 -11.901 5.208 1.00 0.00 H new ATOM 496 N PRO A 35 2.683 -9.368 3.514 1.00 0.00 N ATOM 497 CA PRO A 35 3.950 -10.069 3.271 1.00 0.00 C ATOM 498 C PRO A 35 3.849 -11.500 3.785 1.00 0.00 C ATOM 499 O PRO A 35 4.609 -11.933 4.656 1.00 0.00 O ATOM 500 CB PRO A 35 4.981 -9.267 4.082 1.00 0.00 C ATOM 501 CG PRO A 35 4.268 -8.039 4.547 1.00 0.00 C ATOM 502 CD PRO A 35 2.811 -8.391 4.598 1.00 0.00 C ATOM 0 HA PRO A 35 4.215 -10.130 2.215 1.00 0.00 H new ATOM 0 HB2 PRO A 35 5.351 -9.848 4.927 1.00 0.00 H new ATOM 0 HB3 PRO A 35 5.845 -9.009 3.470 1.00 0.00 H new ATOM 0 HG2 PRO A 35 4.627 -7.729 5.528 1.00 0.00 H new ATOM 0 HG3 PRO A 35 4.443 -7.206 3.866 1.00 0.00 H new ATOM 0 HD2 PRO A 35 2.529 -8.815 5.562 1.00 0.00 H new ATOM 0 HD3 PRO A 35 2.177 -7.519 4.436 1.00 0.00 H new ATOM 510 N ASP A 36 2.902 -12.225 3.218 1.00 0.00 N ATOM 511 CA ASP A 36 2.415 -13.463 3.793 1.00 0.00 C ATOM 512 C ASP A 36 1.547 -14.195 2.771 1.00 0.00 C ATOM 513 O ASP A 36 2.006 -15.123 2.109 1.00 0.00 O ATOM 514 CB ASP A 36 1.623 -13.102 5.063 1.00 0.00 C ATOM 515 CG ASP A 36 0.846 -14.235 5.700 1.00 0.00 C ATOM 516 OD1 ASP A 36 0.127 -14.965 5.016 1.00 0.00 O ATOM 517 OD2 ASP A 36 0.825 -14.330 6.930 1.00 0.00 O ATOM 0 H ASP A 36 2.448 -11.969 2.341 1.00 0.00 H new ATOM 0 HA ASP A 36 3.234 -14.132 4.057 1.00 0.00 H new ATOM 0 HB2 ASP A 36 2.319 -12.704 5.801 1.00 0.00 H new ATOM 0 HB3 ASP A 36 0.925 -12.301 4.818 1.00 0.00 H new ATOM 522 N CYS A 37 0.303 -13.750 2.625 1.00 0.00 N ATOM 523 CA CYS A 37 -0.609 -14.333 1.652 1.00 0.00 C ATOM 524 C CYS A 37 -0.623 -13.474 0.396 1.00 0.00 C ATOM 525 O CYS A 37 -0.873 -13.958 -0.707 1.00 0.00 O ATOM 526 CB CYS A 37 -2.023 -14.466 2.244 1.00 0.00 C ATOM 527 SG CYS A 37 -2.227 -13.762 3.909 1.00 0.00 S ATOM 0 H CYS A 37 -0.096 -12.986 3.170 1.00 0.00 H new ATOM 0 HA CYS A 37 -0.265 -15.334 1.392 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -2.730 -13.980 1.571 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -2.289 -15.523 2.277 1.00 0.00 H new ATOM 0 HG CYS A 37 -1.396 -14.336 4.728 1.00 0.00 H new ATOM 532 N ARG A 38 -0.340 -12.190 0.598 1.00 0.00 N ATOM 533 CA ARG A 38 -0.209 -11.210 -0.478 1.00 0.00 C ATOM 534 C ARG A 38 -1.487 -11.101 -1.306 1.00 0.00 C ATOM 535 O ARG A 38 -1.465 -10.695 -2.470 1.00 0.00 O ATOM 536 CB ARG A 38 0.996 -11.539 -1.357 1.00 0.00 C ATOM 537 CG ARG A 38 1.503 -10.348 -2.143 1.00 0.00 C ATOM 538 CD ARG A 38 2.787 -10.670 -2.877 1.00 0.00 C ATOM 539 NE ARG A 38 3.300 -9.508 -3.593 1.00 0.00 N ATOM 540 CZ ARG A 38 4.218 -9.578 -4.552 1.00 0.00 C ATOM 541 NH1 ARG A 38 4.738 -10.750 -4.890 1.00 0.00 N ATOM 542 NH2 ARG A 38 4.622 -8.474 -5.164 1.00 0.00 N ATOM 0 H ARG A 38 -0.193 -11.795 1.527 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.044 -10.234 -0.021 1.00 0.00 H new ATOM 0 HB2 ARG A 38 1.801 -11.922 -0.730 1.00 0.00 H new ATOM 0 HB3 ARG A 38 0.725 -12.335 -2.050 1.00 0.00 H new ATOM 0 HG2 ARG A 38 0.743 -10.034 -2.859 1.00 0.00 H new ATOM 0 HG3 ARG A 38 1.670 -9.510 -1.467 1.00 0.00 H new ATOM 0 HD2 ARG A 38 3.535 -11.020 -2.166 1.00 0.00 H new ATOM 0 HD3 ARG A 38 2.611 -11.483 -3.581 1.00 0.00 H new ATOM 0 HE ARG A 38 2.934 -8.589 -3.344 1.00 0.00 H new ATOM 0 HH11 ARG A 38 4.434 -11.599 -4.414 1.00 0.00 H new ATOM 0 HH12 ARG A 38 5.442 -10.802 -5.626 1.00 0.00 H new ATOM 0 HH21 ARG A 38 4.229 -7.571 -4.899 1.00 0.00 H new ATOM 0 HH22 ARG A 38 5.326 -8.527 -5.900 1.00 0.00 H new ATOM 556 N GLN A 39 -2.602 -11.449 -0.689 1.00 0.00 N ATOM 557 CA GLN A 39 -3.900 -11.205 -1.279 1.00 0.00 C ATOM 558 C GLN A 39 -4.219 -9.720 -1.163 1.00 0.00 C ATOM 559 O GLN A 39 -3.550 -9.008 -0.416 1.00 0.00 O ATOM 560 CB GLN A 39 -4.976 -12.029 -0.567 1.00 0.00 C ATOM 561 CG GLN A 39 -4.821 -13.529 -0.738 1.00 0.00 C ATOM 562 CD GLN A 39 -5.963 -14.300 -0.106 1.00 0.00 C ATOM 563 OE1 GLN A 39 -7.086 -13.804 -0.013 1.00 0.00 O ATOM 564 NE2 GLN A 39 -5.687 -15.516 0.330 1.00 0.00 N ATOM 0 H GLN A 39 -2.631 -11.903 0.224 1.00 0.00 H new ATOM 0 HA GLN A 39 -3.883 -11.501 -2.328 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -4.956 -11.791 0.497 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -5.955 -11.730 -0.942 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -4.768 -13.768 -1.800 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -3.879 -13.848 -0.292 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -4.743 -15.890 0.234 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -6.418 -16.081 0.763 1.00 0.00 H new ATOM 573 N PRO A 40 -5.238 -9.225 -1.887 1.00 0.00 N ATOM 574 CA PRO A 40 -5.683 -7.829 -1.767 1.00 0.00 C ATOM 575 C PRO A 40 -6.257 -7.531 -0.380 1.00 0.00 C ATOM 576 O PRO A 40 -6.691 -6.410 -0.104 1.00 0.00 O ATOM 577 CB PRO A 40 -6.775 -7.696 -2.838 1.00 0.00 C ATOM 578 CG PRO A 40 -6.579 -8.861 -3.749 1.00 0.00 C ATOM 579 CD PRO A 40 -6.016 -9.960 -2.897 1.00 0.00 C ATOM 0 HA PRO A 40 -4.860 -7.127 -1.901 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -7.769 -7.710 -2.390 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -6.682 -6.754 -3.379 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -7.522 -9.164 -4.204 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -5.899 -8.610 -4.563 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -6.803 -10.562 -2.442 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -5.389 -10.639 -3.475 1.00 0.00 H new ATOM 587 N LEU A 41 -6.264 -8.559 0.470 1.00 0.00 N ATOM 588 CA LEU A 41 -6.729 -8.458 1.846 1.00 0.00 C ATOM 589 C LEU A 41 -8.215 -8.137 1.900 1.00 0.00 C ATOM 590 O LEU A 41 -8.897 -8.113 0.873 1.00 0.00 O ATOM 591 CB LEU A 41 -5.910 -7.418 2.626 1.00 0.00 C ATOM 592 CG LEU A 41 -4.452 -7.812 2.877 1.00 0.00 C ATOM 593 CD1 LEU A 41 -3.715 -6.723 3.641 1.00 0.00 C ATOM 594 CD2 LEU A 41 -4.388 -9.131 3.629 1.00 0.00 C ATOM 0 H LEU A 41 -5.943 -9.493 0.216 1.00 0.00 H new ATOM 0 HA LEU A 41 -6.582 -9.427 2.322 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.929 -6.476 2.079 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -6.395 -7.239 3.586 1.00 0.00 H new ATOM 0 HG LEU A 41 -3.959 -7.934 1.912 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.682 -7.029 3.805 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -3.732 -5.799 3.064 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -4.202 -6.559 4.602 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -3.346 -9.401 3.802 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -4.900 -9.030 4.586 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.872 -9.910 3.039 1.00 0.00 H new ATOM 606 N GLN A 42 -8.720 -7.918 3.094 1.00 0.00 N ATOM 607 CA GLN A 42 -10.123 -7.621 3.270 1.00 0.00 C ATOM 608 C GLN A 42 -10.284 -6.173 3.693 1.00 0.00 C ATOM 609 O GLN A 42 -9.724 -5.743 4.702 1.00 0.00 O ATOM 610 CB GLN A 42 -10.738 -8.575 4.294 1.00 0.00 C ATOM 611 CG GLN A 42 -12.241 -8.420 4.456 1.00 0.00 C ATOM 612 CD GLN A 42 -12.854 -9.564 5.236 1.00 0.00 C ATOM 613 OE1 GLN A 42 -12.926 -9.527 6.461 1.00 0.00 O ATOM 614 NE2 GLN A 42 -13.310 -10.586 4.529 1.00 0.00 N ATOM 0 H GLN A 42 -8.179 -7.940 3.958 1.00 0.00 H new ATOM 0 HA GLN A 42 -10.651 -7.763 2.327 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -10.518 -9.601 3.998 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -10.260 -8.413 5.260 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -12.455 -7.480 4.965 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -12.707 -8.363 3.472 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -13.231 -10.578 3.512 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -13.740 -11.381 5.001 1.00 0.00 H new ATOM 623 N VAL A 43 -11.022 -5.420 2.894 1.00 0.00 N ATOM 624 CA VAL A 43 -11.205 -4.001 3.136 1.00 0.00 C ATOM 625 C VAL A 43 -12.138 -3.783 4.311 1.00 0.00 C ATOM 626 O VAL A 43 -13.300 -4.186 4.276 1.00 0.00 O ATOM 627 CB VAL A 43 -11.799 -3.285 1.904 1.00 0.00 C ATOM 628 CG1 VAL A 43 -11.766 -1.775 2.086 1.00 0.00 C ATOM 629 CG2 VAL A 43 -11.081 -3.699 0.630 1.00 0.00 C ATOM 0 H VAL A 43 -11.506 -5.772 2.068 1.00 0.00 H new ATOM 0 HA VAL A 43 -10.221 -3.584 3.350 1.00 0.00 H new ATOM 0 HB VAL A 43 -12.841 -3.589 1.810 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -12.190 -1.293 1.205 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -12.350 -1.502 2.965 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -10.735 -1.447 2.218 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -11.521 -3.179 -0.221 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -10.025 -3.440 0.707 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -11.182 -4.775 0.489 1.00 0.00 H new ATOM 639 N LEU A 44 -11.631 -3.138 5.342 1.00 0.00 N ATOM 640 CA LEU A 44 -12.408 -2.898 6.536 1.00 0.00 C ATOM 641 C LEU A 44 -12.709 -1.416 6.675 1.00 0.00 C ATOM 642 O LEU A 44 -11.874 -0.630 7.133 1.00 0.00 O ATOM 643 CB LEU A 44 -11.664 -3.435 7.754 1.00 0.00 C ATOM 644 CG LEU A 44 -11.239 -4.899 7.627 1.00 0.00 C ATOM 645 CD1 LEU A 44 -10.530 -5.365 8.879 1.00 0.00 C ATOM 646 CD2 LEU A 44 -12.441 -5.782 7.336 1.00 0.00 C ATOM 0 H LEU A 44 -10.680 -2.770 5.375 1.00 0.00 H new ATOM 0 HA LEU A 44 -13.360 -3.424 6.463 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -10.778 -2.823 7.925 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -12.300 -3.327 8.633 1.00 0.00 H new ATOM 0 HG LEU A 44 -10.543 -4.978 6.792 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -10.238 -6.409 8.764 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -9.641 -4.755 9.042 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -11.199 -5.267 9.734 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -12.118 -6.819 7.249 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -13.163 -5.693 8.148 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -12.906 -5.467 6.402 1.00 0.00 H new ATOM 658 N LYS A 45 -13.903 -1.043 6.242 1.00 0.00 N ATOM 659 CA LYS A 45 -14.330 0.344 6.240 1.00 0.00 C ATOM 660 C LYS A 45 -14.878 0.725 7.608 1.00 0.00 C ATOM 661 O LYS A 45 -15.975 0.314 7.987 1.00 0.00 O ATOM 662 CB LYS A 45 -15.396 0.556 5.160 1.00 0.00 C ATOM 663 CG LYS A 45 -14.954 0.084 3.783 1.00 0.00 C ATOM 664 CD LYS A 45 -16.103 0.073 2.788 1.00 0.00 C ATOM 665 CE LYS A 45 -15.698 -0.617 1.495 1.00 0.00 C ATOM 666 NZ LYS A 45 -16.848 -0.801 0.570 1.00 0.00 N ATOM 0 H LYS A 45 -14.601 -1.694 5.883 1.00 0.00 H new ATOM 0 HA LYS A 45 -13.474 0.982 6.020 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -16.304 0.025 5.445 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -15.649 1.615 5.110 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -14.161 0.735 3.414 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -14.533 -0.918 3.861 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -16.961 -0.438 3.224 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -16.415 1.096 2.576 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -14.926 -0.030 0.999 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -15.261 -1.588 1.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -16.524 -1.275 -0.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -17.575 -1.384 1.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -17.250 0.127 0.327 1.00 0.00 H new ATOM 680 N ALA A 46 -14.098 1.490 8.352 1.00 0.00 N ATOM 681 CA ALA A 46 -14.482 1.905 9.690 1.00 0.00 C ATOM 682 C ALA A 46 -15.056 3.313 9.669 1.00 0.00 C ATOM 683 O ALA A 46 -15.108 3.956 8.616 1.00 0.00 O ATOM 684 CB ALA A 46 -13.281 1.837 10.620 1.00 0.00 C ATOM 0 H ALA A 46 -13.188 1.838 8.049 1.00 0.00 H new ATOM 0 HA ALA A 46 -15.252 1.227 10.058 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -13.578 2.150 11.621 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -12.906 0.814 10.656 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -12.497 2.498 10.251 1.00 0.00 H new ATOM 690 N CYS A 47 -15.488 3.791 10.827 1.00 0.00 N ATOM 691 CA CYS A 47 -16.016 5.141 10.940 1.00 0.00 C ATOM 692 C CYS A 47 -14.889 6.162 10.819 1.00 0.00 C ATOM 693 O CYS A 47 -14.118 6.372 11.758 1.00 0.00 O ATOM 694 CB CYS A 47 -16.757 5.310 12.266 1.00 0.00 C ATOM 695 SG CYS A 47 -18.129 4.153 12.482 1.00 0.00 S ATOM 0 H CYS A 47 -15.483 3.264 11.700 1.00 0.00 H new ATOM 0 HA CYS A 47 -16.722 5.311 10.127 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -16.051 5.180 13.086 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -17.138 6.329 12.332 1.00 0.00 H new ATOM 0 HG CYS A 47 -18.698 4.365 13.631 1.00 0.00 H new ATOM 701 N GLY A 48 -14.782 6.768 9.645 1.00 0.00 N ATOM 702 CA GLY A 48 -13.735 7.735 9.395 1.00 0.00 C ATOM 703 C GLY A 48 -12.373 7.087 9.234 1.00 0.00 C ATOM 704 O GLY A 48 -11.343 7.730 9.442 1.00 0.00 O ATOM 0 H GLY A 48 -15.408 6.605 8.856 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -13.974 8.300 8.494 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -13.699 8.448 10.218 1.00 0.00 H new ATOM 708 N ALA A 49 -12.362 5.814 8.863 1.00 0.00 N ATOM 709 CA ALA A 49 -11.116 5.080 8.697 1.00 0.00 C ATOM 710 C ALA A 49 -11.265 3.987 7.650 1.00 0.00 C ATOM 711 O ALA A 49 -12.362 3.470 7.432 1.00 0.00 O ATOM 712 CB ALA A 49 -10.672 4.481 10.026 1.00 0.00 C ATOM 0 H ALA A 49 -13.202 5.268 8.671 1.00 0.00 H new ATOM 0 HA ALA A 49 -10.353 5.779 8.354 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -9.739 3.935 9.886 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -10.520 5.279 10.752 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -11.439 3.799 10.392 1.00 0.00 H new ATOM 718 N VAL A 50 -10.167 3.652 6.993 1.00 0.00 N ATOM 719 CA VAL A 50 -10.150 2.567 6.022 1.00 0.00 C ATOM 720 C VAL A 50 -8.901 1.705 6.200 1.00 0.00 C ATOM 721 O VAL A 50 -7.792 2.123 5.875 1.00 0.00 O ATOM 722 CB VAL A 50 -10.224 3.084 4.560 1.00 0.00 C ATOM 723 CG1 VAL A 50 -11.645 3.492 4.205 1.00 0.00 C ATOM 724 CG2 VAL A 50 -9.272 4.256 4.342 1.00 0.00 C ATOM 0 H VAL A 50 -9.268 4.119 7.115 1.00 0.00 H new ATOM 0 HA VAL A 50 -11.039 1.964 6.208 1.00 0.00 H new ATOM 0 HB VAL A 50 -9.919 2.268 3.904 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -11.674 3.851 3.176 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -12.307 2.632 4.308 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -11.974 4.286 4.876 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -9.345 4.597 3.309 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -9.540 5.072 5.014 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -8.250 3.938 4.547 1.00 0.00 H new ATOM 734 N ASP A 51 -9.083 0.508 6.739 1.00 0.00 N ATOM 735 CA ASP A 51 -7.965 -0.405 6.943 1.00 0.00 C ATOM 736 C ASP A 51 -8.066 -1.584 5.994 1.00 0.00 C ATOM 737 O ASP A 51 -9.148 -1.913 5.505 1.00 0.00 O ATOM 738 CB ASP A 51 -7.909 -0.931 8.380 1.00 0.00 C ATOM 739 CG ASP A 51 -7.693 0.155 9.414 1.00 0.00 C ATOM 740 OD1 ASP A 51 -6.522 0.460 9.729 1.00 0.00 O ATOM 741 OD2 ASP A 51 -8.691 0.692 9.940 1.00 0.00 O ATOM 0 H ASP A 51 -9.988 0.147 7.042 1.00 0.00 H new ATOM 0 HA ASP A 51 -7.054 0.160 6.745 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -8.839 -1.454 8.603 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -7.105 -1.662 8.460 1.00 0.00 H new ATOM 746 N TYR A 52 -6.935 -2.214 5.738 1.00 0.00 N ATOM 747 CA TYR A 52 -6.878 -3.372 4.862 1.00 0.00 C ATOM 748 C TYR A 52 -6.114 -4.502 5.540 1.00 0.00 C ATOM 749 O TYR A 52 -4.890 -4.448 5.648 1.00 0.00 O ATOM 750 CB TYR A 52 -6.200 -3.010 3.534 1.00 0.00 C ATOM 751 CG TYR A 52 -7.037 -2.149 2.613 1.00 0.00 C ATOM 752 CD1 TYR A 52 -7.310 -0.820 2.922 1.00 0.00 C ATOM 753 CD2 TYR A 52 -7.549 -2.664 1.429 1.00 0.00 C ATOM 754 CE1 TYR A 52 -8.071 -0.033 2.080 1.00 0.00 C ATOM 755 CE2 TYR A 52 -8.311 -1.881 0.581 1.00 0.00 C ATOM 756 CZ TYR A 52 -8.570 -0.568 0.912 1.00 0.00 C ATOM 757 OH TYR A 52 -9.331 0.214 0.072 1.00 0.00 O ATOM 0 H TYR A 52 -6.033 -1.940 6.129 1.00 0.00 H new ATOM 0 HA TYR A 52 -7.897 -3.700 4.656 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -5.267 -2.489 3.748 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -5.939 -3.930 3.012 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -6.920 -0.397 3.836 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -7.349 -3.692 1.166 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -8.274 0.996 2.336 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -8.701 -2.296 -0.336 1.00 0.00 H new ATOM 0 HH TYR A 52 -9.604 -0.313 -0.708 1.00 0.00 H new ATOM 767 N PHE A 53 -6.840 -5.499 6.028 1.00 0.00 N ATOM 768 CA PHE A 53 -6.210 -6.697 6.592 1.00 0.00 C ATOM 769 C PHE A 53 -7.187 -7.858 6.649 1.00 0.00 C ATOM 770 O PHE A 53 -8.398 -7.670 6.783 1.00 0.00 O ATOM 771 CB PHE A 53 -5.548 -6.442 7.962 1.00 0.00 C ATOM 772 CG PHE A 53 -6.396 -5.767 9.004 1.00 0.00 C ATOM 773 CD1 PHE A 53 -7.275 -6.498 9.786 1.00 0.00 C ATOM 774 CD2 PHE A 53 -6.275 -4.403 9.230 1.00 0.00 C ATOM 775 CE1 PHE A 53 -8.023 -5.881 10.772 1.00 0.00 C ATOM 776 CE2 PHE A 53 -7.026 -3.781 10.210 1.00 0.00 C ATOM 777 CZ PHE A 53 -7.900 -4.520 10.982 1.00 0.00 C ATOM 0 H PHE A 53 -7.860 -5.508 6.047 1.00 0.00 H new ATOM 0 HA PHE A 53 -5.402 -6.970 5.913 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -5.214 -7.399 8.362 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -4.657 -5.835 7.802 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -7.377 -7.561 9.624 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -5.587 -3.822 8.634 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -8.703 -6.462 11.378 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -6.929 -2.718 10.372 1.00 0.00 H new ATOM 0 HZ PHE A 53 -8.487 -4.036 11.749 1.00 0.00 H new ATOM 787 N CYS A 54 -6.646 -9.060 6.520 1.00 0.00 N ATOM 788 CA CYS A 54 -7.444 -10.272 6.425 1.00 0.00 C ATOM 789 C CYS A 54 -7.952 -10.714 7.794 1.00 0.00 C ATOM 790 O CYS A 54 -7.211 -11.307 8.566 1.00 0.00 O ATOM 791 CB CYS A 54 -6.624 -11.394 5.753 1.00 0.00 C ATOM 792 SG CYS A 54 -4.885 -11.535 6.294 1.00 0.00 S ATOM 0 H CYS A 54 -5.640 -9.222 6.478 1.00 0.00 H new ATOM 0 HA CYS A 54 -8.317 -10.058 5.809 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -7.122 -12.345 5.940 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -6.638 -11.234 4.675 1.00 0.00 H new ATOM 0 HG CYS A 54 -4.311 -12.513 5.658 1.00 0.00 H new ATOM 797 N GLN A 55 -9.221 -10.411 8.095 1.00 0.00 N ATOM 798 CA GLN A 55 -9.819 -10.803 9.374 1.00 0.00 C ATOM 799 C GLN A 55 -9.779 -12.316 9.545 1.00 0.00 C ATOM 800 O GLN A 55 -9.362 -12.826 10.587 1.00 0.00 O ATOM 801 CB GLN A 55 -11.277 -10.337 9.486 1.00 0.00 C ATOM 802 CG GLN A 55 -11.476 -8.837 9.368 1.00 0.00 C ATOM 803 CD GLN A 55 -12.893 -8.415 9.728 1.00 0.00 C ATOM 804 OE1 GLN A 55 -13.183 -8.070 10.874 1.00 0.00 O ATOM 805 NE2 GLN A 55 -13.790 -8.463 8.760 1.00 0.00 N ATOM 0 H GLN A 55 -9.848 -9.899 7.474 1.00 0.00 H new ATOM 0 HA GLN A 55 -9.232 -10.322 10.157 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -11.862 -10.829 8.709 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -11.677 -10.668 10.444 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -10.769 -8.326 10.022 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -11.253 -8.522 8.349 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -13.513 -8.754 7.822 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -14.760 -8.209 8.950 1.00 0.00 H new ATOM 814 N ASN A 56 -10.217 -13.025 8.514 1.00 0.00 N ATOM 815 CA ASN A 56 -10.262 -14.476 8.546 1.00 0.00 C ATOM 816 C ASN A 56 -9.258 -15.051 7.548 1.00 0.00 C ATOM 817 O ASN A 56 -8.647 -14.308 6.775 1.00 0.00 O ATOM 818 CB ASN A 56 -11.683 -14.965 8.244 1.00 0.00 C ATOM 819 CG ASN A 56 -11.874 -16.441 8.541 1.00 0.00 C ATOM 820 OD1 ASN A 56 -11.185 -17.012 9.390 1.00 0.00 O ATOM 821 ND2 ASN A 56 -12.808 -17.066 7.847 1.00 0.00 N ATOM 0 H ASN A 56 -10.548 -12.614 7.641 1.00 0.00 H new ATOM 0 HA ASN A 56 -9.989 -14.823 9.542 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -12.394 -14.386 8.833 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -11.911 -14.778 7.195 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -12.982 -18.059 8.004 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -13.356 -16.556 7.154 1.00 0.00 H new ATOM 828 N GLY A 57 -9.080 -16.366 7.572 1.00 0.00 N ATOM 829 CA GLY A 57 -8.063 -16.996 6.755 1.00 0.00 C ATOM 830 C GLY A 57 -6.724 -16.961 7.451 1.00 0.00 C ATOM 831 O GLY A 57 -6.108 -17.995 7.702 1.00 0.00 O ATOM 0 H GLY A 57 -9.625 -17.009 8.146 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -8.344 -18.029 6.547 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -7.993 -16.485 5.794 1.00 0.00 H new ATOM 835 N HIS A 58 -6.289 -15.757 7.783 1.00 0.00 N ATOM 836 CA HIS A 58 -5.082 -15.555 8.564 1.00 0.00 C ATOM 837 C HIS A 58 -5.422 -14.796 9.841 1.00 0.00 C ATOM 838 O HIS A 58 -5.427 -15.369 10.928 1.00 0.00 O ATOM 839 CB HIS A 58 -4.026 -14.808 7.722 1.00 0.00 C ATOM 840 CG HIS A 58 -2.843 -14.242 8.478 1.00 0.00 C ATOM 841 ND1 HIS A 58 -1.803 -13.588 7.838 1.00 0.00 N ATOM 842 CD2 HIS A 58 -2.565 -14.160 9.808 1.00 0.00 C ATOM 843 CE1 HIS A 58 -0.953 -13.123 8.759 1.00 0.00 C ATOM 844 NE2 HIS A 58 -1.396 -13.459 9.951 1.00 0.00 N ATOM 0 H HIS A 58 -6.763 -14.893 7.519 1.00 0.00 H new ATOM 0 HA HIS A 58 -4.658 -16.519 8.845 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -3.650 -15.491 6.960 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -4.521 -13.990 7.200 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -3.160 -14.574 10.609 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -0.051 -12.564 8.558 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -0.943 -13.235 10.837 1.00 0.00 H new ATOM 852 N GLY A 59 -5.702 -13.510 9.704 1.00 0.00 N ATOM 853 CA GLY A 59 -5.918 -12.673 10.862 1.00 0.00 C ATOM 854 C GLY A 59 -5.167 -11.364 10.751 1.00 0.00 C ATOM 855 O GLY A 59 -4.246 -11.246 9.939 1.00 0.00 O ATOM 0 H GLY A 59 -5.784 -13.030 8.808 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -6.984 -12.473 10.974 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -5.597 -13.202 11.759 1.00 0.00 H new ATOM 859 N LEU A 60 -5.569 -10.396 11.564 1.00 0.00 N ATOM 860 CA LEU A 60 -4.968 -9.060 11.586 1.00 0.00 C ATOM 861 C LEU A 60 -3.442 -9.109 11.665 1.00 0.00 C ATOM 862 O LEU A 60 -2.864 -9.897 12.415 1.00 0.00 O ATOM 863 CB LEU A 60 -5.516 -8.283 12.793 1.00 0.00 C ATOM 864 CG LEU A 60 -4.692 -7.069 13.246 1.00 0.00 C ATOM 865 CD1 LEU A 60 -4.835 -5.911 12.275 1.00 0.00 C ATOM 866 CD2 LEU A 60 -5.098 -6.644 14.648 1.00 0.00 C ATOM 0 H LEU A 60 -6.328 -10.513 12.235 1.00 0.00 H new ATOM 0 HA LEU A 60 -5.231 -8.562 10.652 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -6.524 -7.944 12.554 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -5.603 -8.972 13.633 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.643 -7.363 13.261 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.240 -5.068 12.624 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.486 -6.218 11.289 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -5.882 -5.615 12.213 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.504 -5.782 14.953 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.155 -6.377 14.656 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -4.926 -7.467 15.342 1.00 0.00 H new ATOM 878 N ILE A 61 -2.807 -8.262 10.871 1.00 0.00 N ATOM 879 CA ILE A 61 -1.375 -8.050 10.950 1.00 0.00 C ATOM 880 C ILE A 61 -1.139 -6.638 11.460 1.00 0.00 C ATOM 881 O ILE A 61 -1.877 -5.725 11.084 1.00 0.00 O ATOM 882 CB ILE A 61 -0.671 -8.205 9.574 1.00 0.00 C ATOM 883 CG1 ILE A 61 -1.150 -9.457 8.830 1.00 0.00 C ATOM 884 CG2 ILE A 61 0.843 -8.254 9.752 1.00 0.00 C ATOM 885 CD1 ILE A 61 -2.426 -9.250 8.037 1.00 0.00 C ATOM 0 H ILE A 61 -3.271 -7.704 10.155 1.00 0.00 H new ATOM 0 HA ILE A 61 -0.957 -8.804 11.617 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.935 -7.335 8.973 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.363 -9.789 8.153 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.308 -10.258 9.552 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.321 -8.363 8.778 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.184 -7.332 10.222 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.108 -9.103 10.383 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -2.700 -10.180 7.539 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -3.228 -8.949 8.711 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -2.268 -8.472 7.290 1.00 0.00 H new ATOM 897 N SER A 62 -0.149 -6.457 12.326 1.00 0.00 N ATOM 898 CA SER A 62 0.169 -5.132 12.843 1.00 0.00 C ATOM 899 C SER A 62 0.395 -4.160 11.685 1.00 0.00 C ATOM 900 O SER A 62 1.337 -4.319 10.907 1.00 0.00 O ATOM 901 CB SER A 62 1.405 -5.203 13.739 1.00 0.00 C ATOM 902 OG SER A 62 1.240 -6.189 14.747 1.00 0.00 O ATOM 0 H SER A 62 0.444 -7.206 12.683 1.00 0.00 H new ATOM 0 HA SER A 62 -0.668 -4.769 13.439 1.00 0.00 H new ATOM 0 HB2 SER A 62 2.283 -5.435 13.137 1.00 0.00 H new ATOM 0 HB3 SER A 62 1.582 -4.231 14.200 1.00 0.00 H new ATOM 0 HG SER A 62 2.042 -6.220 15.309 1.00 0.00 H new ATOM 908 N LYS A 63 -0.472 -3.150 11.593 1.00 0.00 N ATOM 909 CA LYS A 63 -0.556 -2.289 10.409 1.00 0.00 C ATOM 910 C LYS A 63 0.717 -1.469 10.183 1.00 0.00 C ATOM 911 O LYS A 63 0.876 -0.833 9.144 1.00 0.00 O ATOM 912 CB LYS A 63 -1.777 -1.368 10.505 1.00 0.00 C ATOM 913 CG LYS A 63 -1.760 -0.417 11.690 1.00 0.00 C ATOM 914 CD LYS A 63 -3.081 0.327 11.815 1.00 0.00 C ATOM 915 CE LYS A 63 -4.220 -0.622 12.157 1.00 0.00 C ATOM 916 NZ LYS A 63 -5.545 0.053 12.134 1.00 0.00 N ATOM 0 H LYS A 63 -1.132 -2.906 12.331 1.00 0.00 H new ATOM 0 HA LYS A 63 -0.666 -2.945 9.546 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.848 -0.783 9.588 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -2.676 -1.982 10.562 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -1.566 -0.976 12.606 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -0.946 0.298 11.574 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -2.998 1.092 12.587 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -3.301 0.841 10.879 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -4.225 -1.450 11.448 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -4.050 -1.049 13.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -6.154 -0.352 12.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -5.419 1.071 12.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -5.990 -0.087 11.204 1.00 0.00 H new ATOM 930 N LYS A 64 1.625 -1.489 11.151 1.00 0.00 N ATOM 931 CA LYS A 64 2.907 -0.815 10.998 1.00 0.00 C ATOM 932 C LYS A 64 3.844 -1.640 10.124 1.00 0.00 C ATOM 933 O LYS A 64 4.673 -1.094 9.395 1.00 0.00 O ATOM 934 CB LYS A 64 3.562 -0.570 12.358 1.00 0.00 C ATOM 935 CG LYS A 64 2.738 0.296 13.296 1.00 0.00 C ATOM 936 CD LYS A 64 3.516 0.654 14.555 1.00 0.00 C ATOM 937 CE LYS A 64 4.415 1.874 14.357 1.00 0.00 C ATOM 938 NZ LYS A 64 5.441 1.682 13.296 1.00 0.00 N ATOM 0 H LYS A 64 1.498 -1.962 12.046 1.00 0.00 H new ATOM 0 HA LYS A 64 2.721 0.146 10.519 1.00 0.00 H new ATOM 0 HB2 LYS A 64 3.749 -1.531 12.838 1.00 0.00 H new ATOM 0 HB3 LYS A 64 4.532 -0.098 12.202 1.00 0.00 H new ATOM 0 HG2 LYS A 64 2.438 1.209 12.781 1.00 0.00 H new ATOM 0 HG3 LYS A 64 1.824 -0.231 13.570 1.00 0.00 H new ATOM 0 HD2 LYS A 64 2.817 0.850 15.368 1.00 0.00 H new ATOM 0 HD3 LYS A 64 4.125 -0.198 14.857 1.00 0.00 H new ATOM 0 HE2 LYS A 64 3.797 2.735 14.104 1.00 0.00 H new ATOM 0 HE3 LYS A 64 4.914 2.106 15.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 6.219 2.357 13.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 5.811 0.711 13.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 5.010 1.843 12.363 1.00 0.00 H new ATOM 952 N ARG A 65 3.699 -2.958 10.197 1.00 0.00 N ATOM 953 CA ARG A 65 4.577 -3.865 9.472 1.00 0.00 C ATOM 954 C ARG A 65 3.872 -4.472 8.265 1.00 0.00 C ATOM 955 O ARG A 65 4.441 -5.304 7.557 1.00 0.00 O ATOM 956 CB ARG A 65 5.096 -4.964 10.400 1.00 0.00 C ATOM 957 CG ARG A 65 6.165 -4.479 11.368 1.00 0.00 C ATOM 958 CD ARG A 65 6.650 -5.595 12.276 1.00 0.00 C ATOM 959 NE ARG A 65 7.840 -5.209 13.033 1.00 0.00 N ATOM 960 CZ ARG A 65 8.111 -5.636 14.267 1.00 0.00 C ATOM 961 NH1 ARG A 65 7.225 -6.365 14.932 1.00 0.00 N ATOM 962 NH2 ARG A 65 9.250 -5.304 14.853 1.00 0.00 N ATOM 0 H ARG A 65 2.980 -3.422 10.752 1.00 0.00 H new ATOM 0 HA ARG A 65 5.426 -3.288 9.106 1.00 0.00 H new ATOM 0 HB2 ARG A 65 4.261 -5.375 10.968 1.00 0.00 H new ATOM 0 HB3 ARG A 65 5.503 -5.776 9.798 1.00 0.00 H new ATOM 0 HG2 ARG A 65 7.007 -4.075 10.807 1.00 0.00 H new ATOM 0 HG3 ARG A 65 5.765 -3.665 11.973 1.00 0.00 H new ATOM 0 HD2 ARG A 65 5.854 -5.871 12.968 1.00 0.00 H new ATOM 0 HD3 ARG A 65 6.872 -6.478 11.677 1.00 0.00 H new ATOM 0 HE ARG A 65 8.504 -4.574 12.590 1.00 0.00 H new ATOM 0 HH11 ARG A 65 6.332 -6.601 14.500 1.00 0.00 H new ATOM 0 HH12 ARG A 65 7.437 -6.689 15.876 1.00 0.00 H new ATOM 0 HH21 ARG A 65 9.925 -4.719 14.361 1.00 0.00 H new ATOM 0 HH22 ARG A 65 9.453 -5.633 15.797 1.00 0.00 H new ATOM 976 N VAL A 66 2.629 -4.064 8.042 1.00 0.00 N ATOM 977 CA VAL A 66 1.918 -4.436 6.827 1.00 0.00 C ATOM 978 C VAL A 66 2.572 -3.736 5.642 1.00 0.00 C ATOM 979 O VAL A 66 2.879 -2.544 5.712 1.00 0.00 O ATOM 980 CB VAL A 66 0.421 -4.063 6.902 1.00 0.00 C ATOM 981 CG1 VAL A 66 -0.289 -4.395 5.602 1.00 0.00 C ATOM 982 CG2 VAL A 66 -0.246 -4.782 8.061 1.00 0.00 C ATOM 0 H VAL A 66 2.095 -3.478 8.684 1.00 0.00 H new ATOM 0 HA VAL A 66 1.976 -5.518 6.708 1.00 0.00 H new ATOM 0 HB VAL A 66 0.349 -2.988 7.065 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -1.341 -4.122 5.682 1.00 0.00 H new ATOM 0 HG12 VAL A 66 0.169 -3.838 4.785 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -0.205 -5.464 5.404 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -1.300 -4.509 8.100 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -0.155 -5.859 7.922 1.00 0.00 H new ATOM 0 HG23 VAL A 66 0.238 -4.495 8.994 1.00 0.00 H new ATOM 992 N ASN A 67 2.804 -4.468 4.566 1.00 0.00 N ATOM 993 CA ASN A 67 3.542 -3.918 3.446 1.00 0.00 C ATOM 994 C ASN A 67 2.622 -3.127 2.534 1.00 0.00 C ATOM 995 O ASN A 67 1.934 -3.690 1.683 1.00 0.00 O ATOM 996 CB ASN A 67 4.264 -5.019 2.663 1.00 0.00 C ATOM 997 CG ASN A 67 5.134 -4.457 1.554 1.00 0.00 C ATOM 998 OD1 ASN A 67 5.597 -3.318 1.631 1.00 0.00 O ATOM 999 ND2 ASN A 67 5.381 -5.254 0.527 1.00 0.00 N ATOM 0 H ASN A 67 2.496 -5.433 4.446 1.00 0.00 H new ATOM 0 HA ASN A 67 4.298 -3.241 3.844 1.00 0.00 H new ATOM 0 HB2 ASN A 67 4.881 -5.603 3.346 1.00 0.00 H new ATOM 0 HB3 ASN A 67 3.529 -5.701 2.236 1.00 0.00 H new ATOM 0 HD21 ASN A 67 5.974 -4.931 -0.238 1.00 0.00 H new ATOM 0 HD22 ASN A 67 4.979 -6.191 0.500 1.00 0.00 H new ATOM 1006 N PHE A 68 2.585 -1.824 2.741 1.00 0.00 N ATOM 1007 CA PHE A 68 1.831 -0.934 1.878 1.00 0.00 C ATOM 1008 C PHE A 68 2.532 -0.812 0.536 1.00 0.00 C ATOM 1009 O PHE A 68 3.597 -0.190 0.437 1.00 0.00 O ATOM 1010 CB PHE A 68 1.663 0.443 2.523 1.00 0.00 C ATOM 1011 CG PHE A 68 0.706 0.468 3.682 1.00 0.00 C ATOM 1012 CD1 PHE A 68 1.071 -0.035 4.920 1.00 0.00 C ATOM 1013 CD2 PHE A 68 -0.564 1.001 3.531 1.00 0.00 C ATOM 1014 CE1 PHE A 68 0.190 -0.007 5.984 1.00 0.00 C ATOM 1015 CE2 PHE A 68 -1.448 1.034 4.590 1.00 0.00 C ATOM 1016 CZ PHE A 68 -1.071 0.529 5.819 1.00 0.00 C ATOM 0 H PHE A 68 3.072 -1.356 3.505 1.00 0.00 H new ATOM 0 HA PHE A 68 0.836 -1.353 1.726 1.00 0.00 H new ATOM 0 HB2 PHE A 68 2.637 0.794 2.863 1.00 0.00 H new ATOM 0 HB3 PHE A 68 1.317 1.147 1.766 1.00 0.00 H new ATOM 0 HD1 PHE A 68 2.057 -0.454 5.055 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -0.866 1.396 2.572 1.00 0.00 H new ATOM 0 HE1 PHE A 68 0.488 -0.404 6.943 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -2.434 1.454 4.458 1.00 0.00 H new ATOM 0 HZ PHE A 68 -1.761 0.554 6.649 1.00 0.00 H new ATOM 1026 N VAL A 69 1.956 -1.426 -0.478 1.00 0.00 N ATOM 1027 CA VAL A 69 2.550 -1.441 -1.802 1.00 0.00 C ATOM 1028 C VAL A 69 1.971 -0.322 -2.654 1.00 0.00 C ATOM 1029 O VAL A 69 0.890 0.196 -2.363 1.00 0.00 O ATOM 1030 CB VAL A 69 2.331 -2.791 -2.516 1.00 0.00 C ATOM 1031 CG1 VAL A 69 3.007 -3.920 -1.752 1.00 0.00 C ATOM 1032 CG2 VAL A 69 0.845 -3.080 -2.696 1.00 0.00 C ATOM 0 H VAL A 69 1.069 -1.926 -0.410 1.00 0.00 H new ATOM 0 HA VAL A 69 3.622 -1.293 -1.675 1.00 0.00 H new ATOM 0 HB VAL A 69 2.785 -2.725 -3.505 1.00 0.00 H new ATOM 0 HG11 VAL A 69 2.840 -4.863 -2.273 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.078 -3.726 -1.688 1.00 0.00 H new ATOM 0 HG13 VAL A 69 2.588 -3.981 -0.748 1.00 0.00 H new ATOM 0 HG21 VAL A 69 0.719 -4.037 -3.202 1.00 0.00 H new ATOM 0 HG22 VAL A 69 0.361 -3.119 -1.720 1.00 0.00 H new ATOM 0 HG23 VAL A 69 0.391 -2.291 -3.295 1.00 0.00 H new ATOM 1042 N ILE A 70 2.693 0.048 -3.696 1.00 0.00 N ATOM 1043 CA ILE A 70 2.244 1.101 -4.584 1.00 0.00 C ATOM 1044 C ILE A 70 1.276 0.537 -5.614 1.00 0.00 C ATOM 1045 O ILE A 70 1.647 -0.279 -6.459 1.00 0.00 O ATOM 1046 CB ILE A 70 3.433 1.789 -5.288 1.00 0.00 C ATOM 1047 CG1 ILE A 70 4.385 2.373 -4.237 1.00 0.00 C ATOM 1048 CG2 ILE A 70 2.936 2.878 -6.231 1.00 0.00 C ATOM 1049 CD1 ILE A 70 5.624 3.020 -4.819 1.00 0.00 C ATOM 0 H ILE A 70 3.591 -0.365 -3.947 1.00 0.00 H new ATOM 0 HA ILE A 70 1.732 1.853 -3.984 1.00 0.00 H new ATOM 0 HB ILE A 70 3.973 1.051 -5.881 1.00 0.00 H new ATOM 0 HG12 ILE A 70 3.846 3.112 -3.645 1.00 0.00 H new ATOM 0 HG13 ILE A 70 4.689 1.578 -3.556 1.00 0.00 H new ATOM 0 HG21 ILE A 70 3.787 3.353 -6.719 1.00 0.00 H new ATOM 0 HG22 ILE A 70 2.285 2.437 -6.985 1.00 0.00 H new ATOM 0 HG23 ILE A 70 2.380 3.625 -5.664 1.00 0.00 H new ATOM 0 HD11 ILE A 70 6.245 3.408 -4.012 1.00 0.00 H new ATOM 0 HD12 ILE A 70 6.188 2.280 -5.387 1.00 0.00 H new ATOM 0 HD13 ILE A 70 5.332 3.838 -5.478 1.00 0.00 H new ATOM 1061 N SER A 71 0.031 0.967 -5.515 1.00 0.00 N ATOM 1062 CA SER A 71 -1.014 0.521 -6.415 1.00 0.00 C ATOM 1063 C SER A 71 -0.857 1.198 -7.771 1.00 0.00 C ATOM 1064 O SER A 71 -1.490 2.219 -8.053 1.00 0.00 O ATOM 1065 CB SER A 71 -2.392 0.821 -5.812 1.00 0.00 C ATOM 1066 OG SER A 71 -3.440 0.347 -6.640 1.00 0.00 O ATOM 0 H SER A 71 -0.282 1.634 -4.810 1.00 0.00 H new ATOM 0 HA SER A 71 -0.929 -0.557 -6.556 1.00 0.00 H new ATOM 0 HB2 SER A 71 -2.468 0.358 -4.828 1.00 0.00 H new ATOM 0 HB3 SER A 71 -2.500 1.896 -5.667 1.00 0.00 H new ATOM 0 HG SER A 71 -4.304 0.553 -6.225 1.00 0.00 H new ATOM 1072 N ASP A 72 0.036 0.648 -8.581 1.00 0.00 N ATOM 1073 CA ASP A 72 0.264 1.143 -9.929 1.00 0.00 C ATOM 1074 C ASP A 72 -0.934 0.809 -10.803 1.00 0.00 C ATOM 1075 O ASP A 72 -1.586 1.696 -11.360 1.00 0.00 O ATOM 1076 CB ASP A 72 1.535 0.515 -10.509 1.00 0.00 C ATOM 1077 CG ASP A 72 1.951 1.129 -11.832 1.00 0.00 C ATOM 1078 OD1 ASP A 72 2.725 2.108 -11.813 1.00 0.00 O ATOM 1079 OD2 ASP A 72 1.531 0.622 -12.893 1.00 0.00 O ATOM 0 H ASP A 72 0.619 -0.149 -8.324 1.00 0.00 H new ATOM 0 HA ASP A 72 0.392 2.225 -9.899 1.00 0.00 H new ATOM 0 HB2 ASP A 72 2.348 0.626 -9.792 1.00 0.00 H new ATOM 0 HB3 ASP A 72 1.375 -0.554 -10.646 1.00 0.00 H new ATOM 1084 N GLN A 73 -1.231 -0.482 -10.893 1.00 0.00 N ATOM 1085 CA GLN A 73 -2.364 -0.971 -11.666 1.00 0.00 C ATOM 1086 C GLN A 73 -2.916 -2.249 -11.047 1.00 0.00 C ATOM 1087 O GLN A 73 -2.378 -3.333 -11.259 1.00 0.00 O ATOM 1088 CB GLN A 73 -1.953 -1.238 -13.116 1.00 0.00 C ATOM 1089 CG GLN A 73 -1.722 0.024 -13.932 1.00 0.00 C ATOM 1090 CD GLN A 73 -0.994 -0.247 -15.228 1.00 0.00 C ATOM 1091 OE1 GLN A 73 -1.609 -0.510 -16.262 1.00 0.00 O ATOM 1092 NE2 GLN A 73 0.322 -0.165 -15.182 1.00 0.00 N ATOM 0 H GLN A 73 -0.694 -1.217 -10.433 1.00 0.00 H new ATOM 0 HA GLN A 73 -3.139 -0.204 -11.654 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -1.041 -1.834 -13.121 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -2.727 -1.835 -13.599 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -2.682 0.492 -14.150 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -1.148 0.736 -13.339 1.00 0.00 H new ATOM 0 HE21 GLN A 73 0.789 0.056 -14.302 1.00 0.00 H new ATOM 0 HE22 GLN A 73 0.873 -0.322 -16.026 1.00 0.00 H new ATOM 1101 N LEU A 74 -3.965 -2.113 -10.250 1.00 0.00 N ATOM 1102 CA LEU A 74 -4.635 -3.273 -9.686 1.00 0.00 C ATOM 1103 C LEU A 74 -5.610 -3.857 -10.695 1.00 0.00 C ATOM 1104 O LEU A 74 -6.159 -3.137 -11.529 1.00 0.00 O ATOM 1105 CB LEU A 74 -5.383 -2.912 -8.397 1.00 0.00 C ATOM 1106 CG LEU A 74 -4.500 -2.547 -7.204 1.00 0.00 C ATOM 1107 CD1 LEU A 74 -5.357 -2.241 -5.985 1.00 0.00 C ATOM 1108 CD2 LEU A 74 -3.520 -3.672 -6.900 1.00 0.00 C ATOM 0 H LEU A 74 -4.368 -1.216 -9.981 1.00 0.00 H new ATOM 0 HA LEU A 74 -3.873 -4.014 -9.445 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -6.047 -2.073 -8.606 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -6.014 -3.755 -8.115 1.00 0.00 H new ATOM 0 HG LEU A 74 -3.928 -1.654 -7.457 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -4.714 -1.983 -5.144 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -6.019 -1.404 -6.206 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -5.953 -3.117 -5.730 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -2.900 -3.394 -6.048 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -4.072 -4.582 -6.665 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -2.885 -3.846 -7.769 1.00 0.00 H new ATOM 1120 N GLU A 75 -5.838 -5.159 -10.604 1.00 0.00 N ATOM 1121 CA GLU A 75 -6.745 -5.843 -11.517 1.00 0.00 C ATOM 1122 C GLU A 75 -8.201 -5.574 -11.140 1.00 0.00 C ATOM 1123 O GLU A 75 -9.124 -6.112 -11.746 1.00 0.00 O ATOM 1124 CB GLU A 75 -6.458 -7.344 -11.509 1.00 0.00 C ATOM 1125 CG GLU A 75 -5.019 -7.679 -11.864 1.00 0.00 C ATOM 1126 CD GLU A 75 -4.749 -9.167 -11.885 1.00 0.00 C ATOM 1127 OE1 GLU A 75 -4.626 -9.768 -10.799 1.00 0.00 O ATOM 1128 OE2 GLU A 75 -4.643 -9.741 -12.989 1.00 0.00 O ATOM 0 H GLU A 75 -5.407 -5.765 -9.906 1.00 0.00 H new ATOM 0 HA GLU A 75 -6.581 -5.457 -12.523 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -6.685 -7.746 -10.521 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -7.125 -7.839 -12.215 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -4.784 -7.258 -12.842 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -4.352 -7.204 -11.144 1.00 0.00 H new ATOM 1135 N HIS A 76 -8.388 -4.734 -10.131 1.00 0.00 N ATOM 1136 CA HIS A 76 -9.715 -4.304 -9.715 1.00 0.00 C ATOM 1137 C HIS A 76 -9.975 -2.885 -10.231 1.00 0.00 C ATOM 1138 O HIS A 76 -10.932 -2.222 -9.832 1.00 0.00 O ATOM 1139 CB HIS A 76 -9.830 -4.369 -8.182 1.00 0.00 C ATOM 1140 CG HIS A 76 -11.179 -3.991 -7.641 1.00 0.00 C ATOM 1141 ND1 HIS A 76 -11.358 -2.999 -6.706 1.00 0.00 N ATOM 1142 CD2 HIS A 76 -12.416 -4.474 -7.913 1.00 0.00 C ATOM 1143 CE1 HIS A 76 -12.641 -2.885 -6.426 1.00 0.00 C ATOM 1144 NE2 HIS A 76 -13.309 -3.766 -7.145 1.00 0.00 N ATOM 0 H HIS A 76 -7.628 -4.334 -9.581 1.00 0.00 H new ATOM 0 HA HIS A 76 -10.469 -4.969 -10.137 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -9.592 -5.381 -7.855 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -9.080 -3.709 -7.746 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -12.655 -5.268 -8.605 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -13.073 -2.187 -5.725 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -14.320 -3.900 -7.133 1.00 0.00 H new ATOM 1153 N HIS A 77 -9.105 -2.426 -11.127 1.00 0.00 N ATOM 1154 CA HIS A 77 -9.251 -1.105 -11.727 1.00 0.00 C ATOM 1155 C HIS A 77 -10.541 -1.048 -12.537 1.00 0.00 C ATOM 1156 O HIS A 77 -10.943 -2.043 -13.143 1.00 0.00 O ATOM 1157 CB HIS A 77 -8.046 -0.787 -12.622 1.00 0.00 C ATOM 1158 CG HIS A 77 -7.927 0.663 -12.987 1.00 0.00 C ATOM 1159 ND1 HIS A 77 -8.304 1.174 -14.212 1.00 0.00 N ATOM 1160 CD2 HIS A 77 -7.458 1.717 -12.274 1.00 0.00 C ATOM 1161 CE1 HIS A 77 -8.073 2.474 -14.236 1.00 0.00 C ATOM 1162 NE2 HIS A 77 -7.562 2.825 -13.072 1.00 0.00 N ATOM 0 H HIS A 77 -8.293 -2.950 -11.453 1.00 0.00 H new ATOM 0 HA HIS A 77 -9.295 -0.359 -10.934 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -7.135 -1.099 -12.112 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -8.118 -1.377 -13.536 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -7.074 1.688 -11.265 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -8.269 3.136 -15.066 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -7.288 3.771 -12.808 1.00 0.00 H new ATOM 1171 N HIS A 78 -11.191 0.107 -12.539 1.00 0.00 N ATOM 1172 CA HIS A 78 -12.468 0.263 -13.222 1.00 0.00 C ATOM 1173 C HIS A 78 -12.284 0.236 -14.737 1.00 0.00 C ATOM 1174 O HIS A 78 -12.115 1.272 -15.375 1.00 0.00 O ATOM 1175 CB HIS A 78 -13.150 1.566 -12.785 1.00 0.00 C ATOM 1176 CG HIS A 78 -14.541 1.735 -13.321 1.00 0.00 C ATOM 1177 ND1 HIS A 78 -14.877 2.690 -14.251 1.00 0.00 N ATOM 1178 CD2 HIS A 78 -15.686 1.066 -13.041 1.00 0.00 C ATOM 1179 CE1 HIS A 78 -16.166 2.605 -14.523 1.00 0.00 C ATOM 1180 NE2 HIS A 78 -16.682 1.626 -13.802 1.00 0.00 N ATOM 0 H HIS A 78 -10.855 0.951 -12.075 1.00 0.00 H new ATOM 0 HA HIS A 78 -13.108 -0.575 -12.946 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -13.185 1.599 -11.696 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -12.541 2.410 -13.110 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -15.795 0.245 -12.348 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -16.707 3.230 -15.218 1.00 0.00 H new ATOM 0 HE2 HIS A 78 -17.659 1.334 -13.809 1.00 0.00 H new ATOM 1189 N HIS A 79 -12.280 -0.967 -15.294 1.00 0.00 N ATOM 1190 CA HIS A 79 -12.200 -1.145 -16.736 1.00 0.00 C ATOM 1191 C HIS A 79 -13.605 -1.165 -17.324 1.00 0.00 C ATOM 1192 O HIS A 79 -13.967 -0.306 -18.124 1.00 0.00 O ATOM 1193 CB HIS A 79 -11.459 -2.448 -17.074 1.00 0.00 C ATOM 1194 CG HIS A 79 -11.175 -2.635 -18.538 1.00 0.00 C ATOM 1195 ND1 HIS A 79 -9.914 -2.526 -19.076 1.00 0.00 N ATOM 1196 CD2 HIS A 79 -11.995 -2.943 -19.573 1.00 0.00 C ATOM 1197 CE1 HIS A 79 -9.969 -2.755 -20.375 1.00 0.00 C ATOM 1198 NE2 HIS A 79 -11.220 -3.010 -20.703 1.00 0.00 N ATOM 0 H HIS A 79 -12.332 -1.838 -14.766 1.00 0.00 H new ATOM 0 HA HIS A 79 -11.643 -0.314 -17.169 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -10.516 -2.469 -16.527 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -12.051 -3.292 -16.720 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -13.061 -3.106 -19.518 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -9.130 -2.737 -21.055 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -11.556 -3.222 -21.642 1.00 0.00 H new ATOM 1207 N HIS A 80 -14.388 -2.152 -16.911 1.00 0.00 N ATOM 1208 CA HIS A 80 -15.765 -2.290 -17.361 1.00 0.00 C ATOM 1209 C HIS A 80 -16.512 -3.221 -16.421 1.00 0.00 C ATOM 1210 O HIS A 80 -16.034 -4.313 -16.113 1.00 0.00 O ATOM 1211 CB HIS A 80 -15.816 -2.834 -18.796 1.00 0.00 C ATOM 1212 CG HIS A 80 -17.200 -2.915 -19.378 1.00 0.00 C ATOM 1213 ND1 HIS A 80 -17.740 -1.930 -20.176 1.00 0.00 N ATOM 1214 CD2 HIS A 80 -18.149 -3.876 -19.284 1.00 0.00 C ATOM 1215 CE1 HIS A 80 -18.956 -2.280 -20.544 1.00 0.00 C ATOM 1216 NE2 HIS A 80 -19.232 -3.456 -20.016 1.00 0.00 N ATOM 0 H HIS A 80 -14.088 -2.876 -16.258 1.00 0.00 H new ATOM 0 HA HIS A 80 -16.239 -1.309 -17.354 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -15.202 -2.199 -19.435 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -15.369 -3.828 -18.811 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -18.069 -4.802 -18.734 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -19.616 -1.701 -21.173 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -20.106 -3.969 -20.132 1.00 0.00 H new ATOM 1225 N HIS A 81 -17.662 -2.781 -15.948 1.00 0.00 N ATOM 1226 CA HIS A 81 -18.490 -3.604 -15.085 1.00 0.00 C ATOM 1227 C HIS A 81 -19.762 -3.996 -15.823 1.00 0.00 C ATOM 1228 O HIS A 81 -19.888 -5.175 -16.199 1.00 0.00 O ATOM 1229 CB HIS A 81 -18.824 -2.863 -13.786 1.00 0.00 C ATOM 1230 CG HIS A 81 -19.603 -3.682 -12.799 1.00 0.00 C ATOM 1231 ND1 HIS A 81 -19.020 -4.340 -11.737 1.00 0.00 N ATOM 1232 CD2 HIS A 81 -20.931 -3.936 -12.709 1.00 0.00 C ATOM 1233 CE1 HIS A 81 -19.951 -4.961 -11.042 1.00 0.00 C ATOM 1234 NE2 HIS A 81 -21.120 -4.733 -11.609 1.00 0.00 N ATOM 1235 OXT HIS A 81 -20.615 -3.113 -16.048 1.00 0.00 O ATOM 0 H HIS A 81 -18.045 -1.857 -16.147 1.00 0.00 H new ATOM 0 HA HIS A 81 -17.939 -4.507 -14.821 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -17.896 -2.535 -13.318 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -19.394 -1.966 -14.028 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -21.698 -3.577 -13.379 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -19.785 -5.557 -10.157 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -22.018 -5.091 -11.283 1.00 0.00 H new TER 1244 HIS A 81 HETATM 1245 ZN ZN A 150 9.697 12.683 -5.386 1.00 0.00 ZN HETATM 1246 ZN ZN A 200 -1.056 -14.545 6.467 1.00 0.00 ZN