USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 580 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 28 HIS : no HE2:sc= -0.363 X(o=-0.38,f=-0.15) USER MOD Set 1.2: A 30 LYS NZ :NH3+ 167:sc= -0.0204 (180deg=-0.219) USER MOD Set 2.1: A 19 TYR OH : rot 180:sc= 0.661 USER MOD Set 2.2: A 23 LYS NZ :NH3+ -170:sc= 1.25 (180deg=0.399) USER MOD Single : A 1 MET CE :methyl -173:sc= -0.501 (180deg=-0.579) USER MOD Single : A 1 MET N :NH3+ 167:sc= 0.579 (180deg=0.431) USER MOD Single : A 2 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= -0.253 X(o=-0.25,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 154:sc= 2.41 (180deg=2.18) USER MOD Single : A 14 LYS NZ :NH3+ -156:sc= -0.132 (180deg=-0.584) USER MOD Single : A 15 LYS NZ :NH3+ -170:sc= -0.867 (180deg=-0.964) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 15:sc= 1.07 USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=-0.0081) USER MOD Single : A 33 SER OG : rot 72:sc= 0.792 USER MOD Single : A 35 SER OG : rot 50:sc= 1.19 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=-0.0036) USER MOD Single : A 43 ASN : amide:sc= 0.954 K(o=0.95,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0.0149 USER MOD Single : A 51 LYS NZ :NH3+ -176:sc= 1.24 (180deg=1.12) USER MOD Single : A 52 LYS NZ :NH3+ -163:sc= -0.0485 (180deg=-0.34) USER MOD Single : A 53 LYS NZ :NH3+ -147:sc= -0.204 (180deg=-2.73!) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HE2:sc= 0.174 K(o=0.17,f=-1.4) USER MOD Single : A 61 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 62 HIS : no HD1:sc= 0 X(o=0,f=-0.0092) USER MOD Single : A 63 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 64 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 14.502 -4.977 -1.069 1.00 0.00 N ATOM 2 CA MET A 1 13.196 -4.659 -0.468 1.00 0.00 C ATOM 3 C MET A 1 12.091 -5.538 -1.022 1.00 0.00 C ATOM 4 O MET A 1 11.215 -5.986 -0.273 1.00 0.00 O ATOM 5 CB MET A 1 12.796 -3.181 -0.675 1.00 0.00 C ATOM 6 CG MET A 1 13.612 -2.154 0.106 1.00 0.00 C ATOM 7 SD MET A 1 15.337 -2.005 -0.412 1.00 0.00 S ATOM 8 CE MET A 1 15.171 -1.317 -2.065 1.00 0.00 C ATOM 0 H1 MET A 1 15.183 -4.225 -0.838 1.00 0.00 H new ATOM 0 H2 MET A 1 14.846 -5.883 -0.692 1.00 0.00 H new ATOM 0 H3 MET A 1 14.401 -5.047 -2.102 1.00 0.00 H new ATOM 0 HA MET A 1 13.314 -4.848 0.599 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.876 -2.948 -1.737 1.00 0.00 H new ATOM 0 HB3 MET A 1 11.747 -3.067 -0.402 1.00 0.00 H new ATOM 0 HG2 MET A 1 13.133 -1.180 0.009 1.00 0.00 H new ATOM 0 HG3 MET A 1 13.586 -2.418 1.163 1.00 0.00 H new ATOM 0 HE1 MET A 1 16.148 -1.290 -2.548 1.00 0.00 H new ATOM 0 HE2 MET A 1 14.494 -1.938 -2.651 1.00 0.00 H new ATOM 0 HE3 MET A 1 14.771 -0.305 -1.999 1.00 0.00 H new ATOM 20 N ASN A 2 12.148 -5.803 -2.329 1.00 0.00 N ATOM 21 CA ASN A 2 11.117 -6.534 -3.068 1.00 0.00 C ATOM 22 C ASN A 2 9.863 -5.703 -3.193 1.00 0.00 C ATOM 23 O ASN A 2 8.928 -5.811 -2.373 1.00 0.00 O ATOM 24 CB ASN A 2 10.778 -7.939 -2.499 1.00 0.00 C ATOM 25 CG ASN A 2 11.898 -8.953 -2.628 1.00 0.00 C ATOM 26 OD1 ASN A 2 11.997 -9.652 -3.626 1.00 0.00 O ATOM 27 ND2 ASN A 2 12.708 -9.084 -1.611 1.00 0.00 N ATOM 0 H ASN A 2 12.929 -5.509 -2.915 1.00 0.00 H new ATOM 0 HA ASN A 2 11.548 -6.715 -4.053 1.00 0.00 H new ATOM 0 HB2 ASN A 2 10.515 -7.838 -1.446 1.00 0.00 H new ATOM 0 HB3 ASN A 2 9.896 -8.322 -3.012 1.00 0.00 H new ATOM 0 HD21 ASN A 2 13.449 -9.785 -1.636 1.00 0.00 H new ATOM 0 HD22 ASN A 2 12.600 -8.485 -0.792 1.00 0.00 H new ATOM 34 N VAL A 3 9.838 -4.852 -4.200 1.00 0.00 N ATOM 35 CA VAL A 3 8.699 -3.986 -4.439 1.00 0.00 C ATOM 36 C VAL A 3 7.515 -4.787 -4.962 1.00 0.00 C ATOM 37 O VAL A 3 6.375 -4.385 -4.813 1.00 0.00 O ATOM 38 CB VAL A 3 9.022 -2.799 -5.397 1.00 0.00 C ATOM 39 CG1 VAL A 3 10.049 -1.867 -4.771 1.00 0.00 C ATOM 40 CG2 VAL A 3 9.511 -3.288 -6.760 1.00 0.00 C ATOM 0 H VAL A 3 10.599 -4.741 -4.870 1.00 0.00 H new ATOM 0 HA VAL A 3 8.439 -3.547 -3.476 1.00 0.00 H new ATOM 0 HB VAL A 3 8.095 -2.247 -5.555 1.00 0.00 H new ATOM 0 HG11 VAL A 3 10.260 -1.046 -5.456 1.00 0.00 H new ATOM 0 HG12 VAL A 3 9.656 -1.468 -3.836 1.00 0.00 H new ATOM 0 HG13 VAL A 3 10.968 -2.419 -4.572 1.00 0.00 H new ATOM 0 HG21 VAL A 3 9.725 -2.431 -7.399 1.00 0.00 H new ATOM 0 HG22 VAL A 3 10.417 -3.880 -6.631 1.00 0.00 H new ATOM 0 HG23 VAL A 3 8.740 -3.902 -7.224 1.00 0.00 H new ATOM 50 N THR A 4 7.798 -5.950 -5.529 1.00 0.00 N ATOM 51 CA THR A 4 6.769 -6.827 -6.039 1.00 0.00 C ATOM 52 C THR A 4 5.889 -7.351 -4.882 1.00 0.00 C ATOM 53 O THR A 4 4.689 -7.563 -5.047 1.00 0.00 O ATOM 54 CB THR A 4 7.375 -8.006 -6.878 1.00 0.00 C ATOM 55 OG1 THR A 4 6.334 -8.771 -7.506 1.00 0.00 O ATOM 56 CG2 THR A 4 8.219 -8.935 -6.009 1.00 0.00 C ATOM 0 H THR A 4 8.746 -6.307 -5.646 1.00 0.00 H new ATOM 0 HA THR A 4 6.138 -6.250 -6.715 1.00 0.00 H new ATOM 0 HB THR A 4 8.013 -7.560 -7.641 1.00 0.00 H new ATOM 0 HG1 THR A 4 6.732 -9.500 -8.026 1.00 0.00 H new ATOM 0 HG21 THR A 4 8.623 -9.740 -6.623 1.00 0.00 H new ATOM 0 HG22 THR A 4 9.039 -8.372 -5.564 1.00 0.00 H new ATOM 0 HG23 THR A 4 7.598 -9.358 -5.219 1.00 0.00 H new ATOM 64 N LYS A 5 6.475 -7.496 -3.693 1.00 0.00 N ATOM 65 CA LYS A 5 5.724 -7.973 -2.544 1.00 0.00 C ATOM 66 C LYS A 5 4.884 -6.851 -1.978 1.00 0.00 C ATOM 67 O LYS A 5 3.791 -7.073 -1.449 1.00 0.00 O ATOM 68 CB LYS A 5 6.644 -8.552 -1.472 1.00 0.00 C ATOM 69 CG LYS A 5 7.440 -9.758 -1.936 1.00 0.00 C ATOM 70 CD LYS A 5 8.282 -10.322 -0.813 1.00 0.00 C ATOM 71 CE LYS A 5 9.116 -11.494 -1.287 1.00 0.00 C ATOM 72 NZ LYS A 5 9.902 -12.093 -0.193 1.00 0.00 N ATOM 0 H LYS A 5 7.457 -7.291 -3.507 1.00 0.00 H new ATOM 0 HA LYS A 5 5.068 -8.777 -2.877 1.00 0.00 H new ATOM 0 HB2 LYS A 5 7.335 -7.777 -1.142 1.00 0.00 H new ATOM 0 HB3 LYS A 5 6.045 -8.834 -0.606 1.00 0.00 H new ATOM 0 HG2 LYS A 5 6.760 -10.526 -2.305 1.00 0.00 H new ATOM 0 HG3 LYS A 5 8.083 -9.474 -2.769 1.00 0.00 H new ATOM 0 HD2 LYS A 5 8.935 -9.544 -0.419 1.00 0.00 H new ATOM 0 HD3 LYS A 5 7.636 -10.640 0.005 1.00 0.00 H new ATOM 0 HE2 LYS A 5 8.463 -12.251 -1.721 1.00 0.00 H new ATOM 0 HE3 LYS A 5 9.789 -11.163 -2.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 10.458 -12.891 -0.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 10.544 -11.378 0.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 9.259 -12.433 0.551 1.00 0.00 H new ATOM 86 N LEU A 6 5.389 -5.646 -2.121 1.00 0.00 N ATOM 87 CA LEU A 6 4.691 -4.459 -1.685 1.00 0.00 C ATOM 88 C LEU A 6 3.527 -4.203 -2.644 1.00 0.00 C ATOM 89 O LEU A 6 2.416 -3.895 -2.228 1.00 0.00 O ATOM 90 CB LEU A 6 5.660 -3.276 -1.671 1.00 0.00 C ATOM 91 CG LEU A 6 5.146 -1.958 -1.088 1.00 0.00 C ATOM 92 CD1 LEU A 6 4.676 -2.147 0.348 1.00 0.00 C ATOM 93 CD2 LEU A 6 6.248 -0.913 -1.145 1.00 0.00 C ATOM 0 H LEU A 6 6.298 -5.462 -2.544 1.00 0.00 H new ATOM 0 HA LEU A 6 4.300 -4.590 -0.676 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.546 -3.571 -1.109 1.00 0.00 H new ATOM 0 HB3 LEU A 6 5.981 -3.090 -2.696 1.00 0.00 H new ATOM 0 HG LEU A 6 4.296 -1.621 -1.681 1.00 0.00 H new ATOM 0 HD11 LEU A 6 4.315 -1.196 0.741 1.00 0.00 H new ATOM 0 HD12 LEU A 6 3.869 -2.880 0.373 1.00 0.00 H new ATOM 0 HD13 LEU A 6 5.507 -2.500 0.959 1.00 0.00 H new ATOM 0 HD21 LEU A 6 5.881 0.026 -0.730 1.00 0.00 H new ATOM 0 HD22 LEU A 6 7.105 -1.256 -0.565 1.00 0.00 H new ATOM 0 HD23 LEU A 6 6.549 -0.758 -2.181 1.00 0.00 H new ATOM 105 N ASN A 7 3.801 -4.385 -3.926 1.00 0.00 N ATOM 106 CA ASN A 7 2.806 -4.260 -4.992 1.00 0.00 C ATOM 107 C ASN A 7 1.679 -5.256 -4.767 1.00 0.00 C ATOM 108 O ASN A 7 0.513 -4.918 -4.906 1.00 0.00 O ATOM 109 CB ASN A 7 3.458 -4.505 -6.362 1.00 0.00 C ATOM 110 CG ASN A 7 2.491 -4.449 -7.551 1.00 0.00 C ATOM 111 OD1 ASN A 7 2.668 -5.178 -8.529 1.00 0.00 O ATOM 112 ND2 ASN A 7 1.511 -3.567 -7.511 1.00 0.00 N ATOM 0 H ASN A 7 4.732 -4.627 -4.265 1.00 0.00 H new ATOM 0 HA ASN A 7 2.398 -3.249 -4.975 1.00 0.00 H new ATOM 0 HB2 ASN A 7 4.242 -3.763 -6.514 1.00 0.00 H new ATOM 0 HB3 ASN A 7 3.941 -5.482 -6.350 1.00 0.00 H new ATOM 0 HD21 ASN A 7 0.875 -3.475 -8.303 1.00 0.00 H new ATOM 0 HD22 ASN A 7 1.389 -2.977 -6.688 1.00 0.00 H new ATOM 119 N ASP A 8 2.050 -6.474 -4.378 1.00 0.00 N ATOM 120 CA ASP A 8 1.087 -7.539 -4.058 1.00 0.00 C ATOM 121 C ASP A 8 0.120 -7.110 -2.950 1.00 0.00 C ATOM 122 O ASP A 8 -1.057 -7.448 -2.978 1.00 0.00 O ATOM 123 CB ASP A 8 1.825 -8.827 -3.657 1.00 0.00 C ATOM 124 CG ASP A 8 0.891 -9.921 -3.181 1.00 0.00 C ATOM 125 OD1 ASP A 8 0.179 -10.523 -4.005 1.00 0.00 O ATOM 126 OD2 ASP A 8 0.860 -10.207 -1.963 1.00 0.00 O ATOM 0 H ASP A 8 3.025 -6.756 -4.274 1.00 0.00 H new ATOM 0 HA ASP A 8 0.498 -7.734 -4.954 1.00 0.00 H new ATOM 0 HB2 ASP A 8 2.398 -9.191 -4.510 1.00 0.00 H new ATOM 0 HB3 ASP A 8 2.540 -8.598 -2.867 1.00 0.00 H new ATOM 131 N ARG A 9 0.624 -6.330 -2.005 1.00 0.00 N ATOM 132 CA ARG A 9 -0.190 -5.810 -0.903 1.00 0.00 C ATOM 133 C ARG A 9 -1.176 -4.775 -1.424 1.00 0.00 C ATOM 134 O ARG A 9 -2.338 -4.764 -1.040 1.00 0.00 O ATOM 135 CB ARG A 9 0.693 -5.184 0.170 1.00 0.00 C ATOM 136 CG ARG A 9 1.637 -6.157 0.846 1.00 0.00 C ATOM 137 CD ARG A 9 2.556 -5.445 1.817 1.00 0.00 C ATOM 138 NE ARG A 9 1.820 -4.733 2.862 1.00 0.00 N ATOM 139 CZ ARG A 9 2.370 -3.999 3.842 1.00 0.00 C ATOM 140 NH1 ARG A 9 3.702 -3.847 3.921 1.00 0.00 N ATOM 141 NH2 ARG A 9 1.582 -3.419 4.739 1.00 0.00 N ATOM 0 H ARG A 9 1.601 -6.038 -1.975 1.00 0.00 H new ATOM 0 HA ARG A 9 -0.740 -6.641 -0.462 1.00 0.00 H new ATOM 0 HB2 ARG A 9 1.278 -4.382 -0.280 1.00 0.00 H new ATOM 0 HB3 ARG A 9 0.056 -4.728 0.928 1.00 0.00 H new ATOM 0 HG2 ARG A 9 1.062 -6.917 1.376 1.00 0.00 H new ATOM 0 HG3 ARG A 9 2.231 -6.675 0.092 1.00 0.00 H new ATOM 0 HD2 ARG A 9 3.225 -6.171 2.278 1.00 0.00 H new ATOM 0 HD3 ARG A 9 3.180 -4.738 1.270 1.00 0.00 H new ATOM 0 HE ARG A 9 0.802 -4.800 2.844 1.00 0.00 H new ATOM 0 HH11 ARG A 9 4.308 -4.292 3.231 1.00 0.00 H new ATOM 0 HH12 ARG A 9 4.108 -3.287 4.671 1.00 0.00 H new ATOM 0 HH21 ARG A 9 0.570 -3.534 4.679 1.00 0.00 H new ATOM 0 HH22 ARG A 9 1.988 -2.859 5.488 1.00 0.00 H new ATOM 155 N ILE A 10 -0.698 -3.919 -2.315 1.00 0.00 N ATOM 156 CA ILE A 10 -1.526 -2.896 -2.948 1.00 0.00 C ATOM 157 C ILE A 10 -2.636 -3.577 -3.744 1.00 0.00 C ATOM 158 O ILE A 10 -3.813 -3.229 -3.634 1.00 0.00 O ATOM 159 CB ILE A 10 -0.678 -2.019 -3.916 1.00 0.00 C ATOM 160 CG1 ILE A 10 0.463 -1.335 -3.161 1.00 0.00 C ATOM 161 CG2 ILE A 10 -1.553 -0.981 -4.623 1.00 0.00 C ATOM 162 CD1 ILE A 10 1.396 -0.540 -4.045 1.00 0.00 C ATOM 0 H ILE A 10 0.275 -3.912 -2.622 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.947 -2.257 -2.171 1.00 0.00 H new ATOM 0 HB ILE A 10 -0.248 -2.672 -4.675 1.00 0.00 H new ATOM 0 HG12 ILE A 10 0.040 -0.671 -2.407 1.00 0.00 H new ATOM 0 HG13 ILE A 10 1.040 -2.093 -2.630 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -0.937 -0.382 -5.293 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -2.327 -1.489 -5.199 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -2.019 -0.332 -3.881 1.00 0.00 H new ATOM 0 HD11 ILE A 10 2.177 -0.086 -3.435 1.00 0.00 H new ATOM 0 HD12 ILE A 10 1.850 -1.202 -4.783 1.00 0.00 H new ATOM 0 HD13 ILE A 10 0.835 0.242 -4.556 1.00 0.00 H new ATOM 174 N GLU A 11 -2.235 -4.575 -4.496 1.00 0.00 N ATOM 175 CA GLU A 11 -3.108 -5.362 -5.339 1.00 0.00 C ATOM 176 C GLU A 11 -4.199 -6.049 -4.491 1.00 0.00 C ATOM 177 O GLU A 11 -5.374 -6.120 -4.894 1.00 0.00 O ATOM 178 CB GLU A 11 -2.251 -6.397 -6.068 1.00 0.00 C ATOM 179 CG GLU A 11 -2.948 -7.149 -7.170 1.00 0.00 C ATOM 180 CD GLU A 11 -2.043 -8.162 -7.811 1.00 0.00 C ATOM 181 OE1 GLU A 11 -2.004 -9.324 -7.338 1.00 0.00 O ATOM 182 OE2 GLU A 11 -1.349 -7.832 -8.794 1.00 0.00 O ATOM 0 H GLU A 11 -1.260 -4.872 -4.540 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.613 -4.723 -6.063 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -1.381 -5.893 -6.489 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -1.880 -7.116 -5.338 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -3.828 -7.651 -6.768 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -3.299 -6.445 -7.925 1.00 0.00 H new ATOM 189 N ALA A 12 -3.810 -6.517 -3.316 1.00 0.00 N ATOM 190 CA ALA A 12 -4.726 -7.165 -2.387 1.00 0.00 C ATOM 191 C ALA A 12 -5.659 -6.157 -1.742 1.00 0.00 C ATOM 192 O ALA A 12 -6.838 -6.439 -1.511 1.00 0.00 O ATOM 193 CB ALA A 12 -3.947 -7.912 -1.322 1.00 0.00 C ATOM 0 H ALA A 12 -2.849 -6.459 -2.978 1.00 0.00 H new ATOM 0 HA ALA A 12 -5.333 -7.874 -2.950 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -4.642 -8.393 -0.633 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -3.321 -8.670 -1.793 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -3.318 -7.212 -0.773 1.00 0.00 H new ATOM 199 N LYS A 13 -5.146 -4.965 -1.501 1.00 0.00 N ATOM 200 CA LYS A 13 -5.913 -3.914 -0.858 1.00 0.00 C ATOM 201 C LYS A 13 -6.996 -3.440 -1.807 1.00 0.00 C ATOM 202 O LYS A 13 -8.110 -3.128 -1.402 1.00 0.00 O ATOM 203 CB LYS A 13 -4.979 -2.769 -0.431 1.00 0.00 C ATOM 204 CG LYS A 13 -5.649 -1.584 0.282 1.00 0.00 C ATOM 205 CD LYS A 13 -6.379 -1.985 1.563 1.00 0.00 C ATOM 206 CE LYS A 13 -5.473 -2.703 2.549 1.00 0.00 C ATOM 207 NZ LYS A 13 -6.165 -2.971 3.815 1.00 0.00 N ATOM 0 H LYS A 13 -4.192 -4.699 -1.744 1.00 0.00 H new ATOM 0 HA LYS A 13 -6.393 -4.293 0.044 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.213 -3.178 0.228 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -4.469 -2.393 -1.318 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -4.892 -0.838 0.522 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -6.357 -1.112 -0.399 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -6.792 -1.094 2.036 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -7.220 -2.631 1.311 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -5.131 -3.642 2.114 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -4.587 -2.098 2.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -5.735 -3.797 4.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -6.081 -2.143 4.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -7.170 -3.163 3.628 1.00 0.00 H new ATOM 221 N LYS A 14 -6.664 -3.441 -3.075 1.00 0.00 N ATOM 222 CA LYS A 14 -7.600 -3.118 -4.129 1.00 0.00 C ATOM 223 C LYS A 14 -8.762 -4.104 -4.154 1.00 0.00 C ATOM 224 O LYS A 14 -9.911 -3.703 -4.285 1.00 0.00 O ATOM 225 CB LYS A 14 -6.887 -3.099 -5.465 1.00 0.00 C ATOM 226 CG LYS A 14 -5.968 -1.919 -5.646 1.00 0.00 C ATOM 227 CD LYS A 14 -5.141 -2.088 -6.887 1.00 0.00 C ATOM 228 CE LYS A 14 -4.473 -0.795 -7.297 1.00 0.00 C ATOM 229 NZ LYS A 14 -5.467 0.255 -7.635 1.00 0.00 N ATOM 0 H LYS A 14 -5.728 -3.668 -3.410 1.00 0.00 H new ATOM 0 HA LYS A 14 -8.011 -2.128 -3.933 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -6.310 -4.017 -5.571 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -7.630 -3.095 -6.263 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -6.552 -1.001 -5.712 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -5.317 -1.820 -4.778 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -4.382 -2.851 -6.717 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -5.774 -2.444 -7.700 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -3.834 -0.443 -6.487 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -3.828 -0.976 -8.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -5.033 0.951 -8.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -6.287 -0.181 -8.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -5.778 0.731 -6.765 1.00 0.00 H new ATOM 243 N LYS A 15 -8.461 -5.392 -3.970 1.00 0.00 N ATOM 244 CA LYS A 15 -9.502 -6.430 -3.969 1.00 0.00 C ATOM 245 C LYS A 15 -10.431 -6.236 -2.780 1.00 0.00 C ATOM 246 O LYS A 15 -11.637 -6.507 -2.853 1.00 0.00 O ATOM 247 CB LYS A 15 -8.895 -7.833 -3.875 1.00 0.00 C ATOM 248 CG LYS A 15 -7.905 -8.187 -4.961 1.00 0.00 C ATOM 249 CD LYS A 15 -8.483 -8.019 -6.354 1.00 0.00 C ATOM 250 CE LYS A 15 -7.517 -8.525 -7.409 1.00 0.00 C ATOM 251 NZ LYS A 15 -6.188 -7.891 -7.307 1.00 0.00 N ATOM 0 H LYS A 15 -7.515 -5.742 -3.821 1.00 0.00 H new ATOM 0 HA LYS A 15 -10.051 -6.338 -4.906 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -8.399 -7.932 -2.909 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -9.705 -8.562 -3.894 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -7.020 -7.558 -4.860 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -7.579 -9.219 -4.829 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -9.425 -8.562 -6.428 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -8.706 -6.967 -6.535 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -7.409 -9.605 -7.311 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -7.932 -8.335 -8.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -5.620 -8.138 -8.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -6.299 -6.858 -7.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -5.707 -8.229 -6.449 1.00 0.00 H new ATOM 265 N GLU A 16 -9.863 -5.726 -1.712 1.00 0.00 N ATOM 266 CA GLU A 16 -10.564 -5.499 -0.478 1.00 0.00 C ATOM 267 C GLU A 16 -11.499 -4.330 -0.673 1.00 0.00 C ATOM 268 O GLU A 16 -12.686 -4.411 -0.375 1.00 0.00 O ATOM 269 CB GLU A 16 -9.545 -5.232 0.635 1.00 0.00 C ATOM 270 CG GLU A 16 -10.131 -5.023 2.016 1.00 0.00 C ATOM 271 CD GLU A 16 -9.055 -4.888 3.064 1.00 0.00 C ATOM 272 OE1 GLU A 16 -8.589 -5.920 3.582 1.00 0.00 O ATOM 273 OE2 GLU A 16 -8.653 -3.764 3.400 1.00 0.00 O ATOM 0 H GLU A 16 -8.881 -5.453 -1.680 1.00 0.00 H new ATOM 0 HA GLU A 16 -11.152 -6.371 -0.190 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -8.850 -6.071 0.677 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -8.964 -4.349 0.368 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -10.753 -4.128 2.016 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -10.780 -5.862 2.267 1.00 0.00 H new ATOM 280 N LEU A 17 -10.960 -3.273 -1.243 1.00 0.00 N ATOM 281 CA LEU A 17 -11.719 -2.086 -1.570 1.00 0.00 C ATOM 282 C LEU A 17 -12.892 -2.391 -2.493 1.00 0.00 C ATOM 283 O LEU A 17 -14.015 -2.002 -2.202 1.00 0.00 O ATOM 284 CB LEU A 17 -10.816 -1.010 -2.173 1.00 0.00 C ATOM 285 CG LEU A 17 -10.315 0.091 -1.218 1.00 0.00 C ATOM 286 CD1 LEU A 17 -11.484 0.865 -0.630 1.00 0.00 C ATOM 287 CD2 LEU A 17 -9.451 -0.487 -0.107 1.00 0.00 C ATOM 0 H LEU A 17 -9.973 -3.214 -1.494 1.00 0.00 H new ATOM 0 HA LEU A 17 -12.135 -1.704 -0.638 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -9.947 -1.502 -2.611 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -11.356 -0.531 -2.990 1.00 0.00 H new ATOM 0 HG LEU A 17 -9.699 0.776 -1.800 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -11.108 1.637 0.041 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -12.054 1.329 -1.434 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -12.129 0.184 -0.075 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -9.115 0.317 0.548 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -10.033 -1.206 0.470 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -8.585 -0.987 -0.542 1.00 0.00 H new ATOM 299 N ILE A 18 -12.632 -3.113 -3.582 1.00 0.00 N ATOM 300 CA ILE A 18 -13.683 -3.495 -4.539 1.00 0.00 C ATOM 301 C ILE A 18 -14.811 -4.264 -3.824 1.00 0.00 C ATOM 302 O ILE A 18 -15.999 -4.026 -4.074 1.00 0.00 O ATOM 303 CB ILE A 18 -13.102 -4.351 -5.718 1.00 0.00 C ATOM 304 CG1 ILE A 18 -12.072 -3.529 -6.515 1.00 0.00 C ATOM 305 CG2 ILE A 18 -14.215 -4.856 -6.646 1.00 0.00 C ATOM 306 CD1 ILE A 18 -11.371 -4.302 -7.618 1.00 0.00 C ATOM 0 H ILE A 18 -11.701 -3.449 -3.829 1.00 0.00 H new ATOM 0 HA ILE A 18 -14.094 -2.579 -4.962 1.00 0.00 H new ATOM 0 HB ILE A 18 -12.607 -5.222 -5.288 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -12.575 -2.667 -6.955 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -11.322 -3.143 -5.825 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -13.777 -5.445 -7.452 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -14.909 -5.476 -6.078 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -14.751 -4.006 -7.068 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -10.664 -3.648 -8.128 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -10.837 -5.148 -7.186 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -12.109 -4.666 -8.333 1.00 0.00 H new ATOM 318 N TYR A 19 -14.419 -5.123 -2.897 1.00 0.00 N ATOM 319 CA TYR A 19 -15.347 -5.923 -2.116 1.00 0.00 C ATOM 320 C TYR A 19 -16.210 -5.019 -1.224 1.00 0.00 C ATOM 321 O TYR A 19 -17.445 -5.172 -1.158 1.00 0.00 O ATOM 322 CB TYR A 19 -14.558 -6.934 -1.247 1.00 0.00 C ATOM 323 CG TYR A 19 -15.418 -7.864 -0.416 1.00 0.00 C ATOM 324 CD1 TYR A 19 -15.958 -7.449 0.798 1.00 0.00 C ATOM 325 CD2 TYR A 19 -15.705 -9.143 -0.853 1.00 0.00 C ATOM 326 CE1 TYR A 19 -16.751 -8.280 1.546 1.00 0.00 C ATOM 327 CE2 TYR A 19 -16.506 -9.981 -0.109 1.00 0.00 C ATOM 328 CZ TYR A 19 -17.025 -9.542 1.088 1.00 0.00 C ATOM 329 OH TYR A 19 -17.844 -10.362 1.818 1.00 0.00 O ATOM 0 H TYR A 19 -13.439 -5.286 -2.664 1.00 0.00 H new ATOM 0 HA TYR A 19 -16.004 -6.469 -2.793 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -13.923 -7.534 -1.899 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -13.897 -6.380 -0.580 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -15.748 -6.453 1.158 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -15.296 -9.490 -1.790 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -17.156 -7.943 2.489 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -16.726 -10.977 -0.463 1.00 0.00 H new ATOM 0 HH TYR A 19 -17.940 -11.222 1.358 1.00 0.00 H new ATOM 339 N LEU A 20 -15.555 -4.089 -0.548 1.00 0.00 N ATOM 340 CA LEU A 20 -16.212 -3.170 0.375 1.00 0.00 C ATOM 341 C LEU A 20 -17.177 -2.261 -0.360 1.00 0.00 C ATOM 342 O LEU A 20 -18.284 -2.008 0.117 1.00 0.00 O ATOM 343 CB LEU A 20 -15.176 -2.343 1.128 1.00 0.00 C ATOM 344 CG LEU A 20 -14.169 -3.132 1.969 1.00 0.00 C ATOM 345 CD1 LEU A 20 -13.147 -2.210 2.553 1.00 0.00 C ATOM 346 CD2 LEU A 20 -14.862 -3.914 3.072 1.00 0.00 C ATOM 0 H LEU A 20 -14.548 -3.948 -0.623 1.00 0.00 H new ATOM 0 HA LEU A 20 -16.780 -3.760 1.094 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -14.624 -1.743 0.405 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -15.701 -1.648 1.783 1.00 0.00 H new ATOM 0 HG LEU A 20 -13.671 -3.846 1.313 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -12.437 -2.784 3.149 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -12.617 -1.699 1.750 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -13.641 -1.474 3.187 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -14.119 -4.463 3.651 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -15.395 -3.225 3.727 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -15.570 -4.616 2.631 1.00 0.00 H new ATOM 358 N VAL A 21 -16.762 -1.791 -1.525 1.00 0.00 N ATOM 359 CA VAL A 21 -17.615 -0.960 -2.370 1.00 0.00 C ATOM 360 C VAL A 21 -18.891 -1.730 -2.774 1.00 0.00 C ATOM 361 O VAL A 21 -19.964 -1.147 -2.920 1.00 0.00 O ATOM 362 CB VAL A 21 -16.854 -0.417 -3.626 1.00 0.00 C ATOM 363 CG1 VAL A 21 -17.772 0.400 -4.539 1.00 0.00 C ATOM 364 CG2 VAL A 21 -15.673 0.443 -3.199 1.00 0.00 C ATOM 0 H VAL A 21 -15.835 -1.970 -1.912 1.00 0.00 H new ATOM 0 HA VAL A 21 -17.909 -0.089 -1.784 1.00 0.00 H new ATOM 0 HB VAL A 21 -16.498 -1.282 -4.185 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -17.205 0.758 -5.398 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -18.595 -0.227 -4.883 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -18.171 1.251 -3.987 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -15.154 0.813 -4.083 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -16.032 1.286 -2.609 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -14.986 -0.154 -2.599 1.00 0.00 H new ATOM 374 N GLU A 22 -18.774 -3.030 -2.938 1.00 0.00 N ATOM 375 CA GLU A 22 -19.931 -3.847 -3.255 1.00 0.00 C ATOM 376 C GLU A 22 -20.937 -3.946 -2.097 1.00 0.00 C ATOM 377 O GLU A 22 -22.145 -3.771 -2.306 1.00 0.00 O ATOM 378 CB GLU A 22 -19.545 -5.241 -3.745 1.00 0.00 C ATOM 379 CG GLU A 22 -18.850 -5.243 -5.089 1.00 0.00 C ATOM 380 CD GLU A 22 -19.638 -4.492 -6.136 1.00 0.00 C ATOM 381 OE1 GLU A 22 -20.885 -4.614 -6.165 1.00 0.00 O ATOM 382 OE2 GLU A 22 -19.027 -3.744 -6.932 1.00 0.00 O ATOM 0 H GLU A 22 -17.896 -3.544 -2.858 1.00 0.00 H new ATOM 0 HA GLU A 22 -20.428 -3.326 -4.073 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -18.892 -5.708 -3.008 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -20.443 -5.855 -3.809 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -17.862 -4.793 -4.987 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -18.699 -6.271 -5.417 1.00 0.00 H new ATOM 389 N LYS A 23 -20.459 -4.251 -0.901 1.00 0.00 N ATOM 390 CA LYS A 23 -21.356 -4.401 0.247 1.00 0.00 C ATOM 391 C LYS A 23 -21.748 -3.089 0.933 1.00 0.00 C ATOM 392 O LYS A 23 -22.914 -2.899 1.289 1.00 0.00 O ATOM 393 CB LYS A 23 -20.863 -5.445 1.258 1.00 0.00 C ATOM 394 CG LYS A 23 -21.049 -6.887 0.790 1.00 0.00 C ATOM 395 CD LYS A 23 -20.652 -7.881 1.873 1.00 0.00 C ATOM 396 CE LYS A 23 -21.017 -9.314 1.492 1.00 0.00 C ATOM 397 NZ LYS A 23 -20.237 -9.821 0.342 1.00 0.00 N ATOM 0 H LYS A 23 -19.471 -4.399 -0.695 1.00 0.00 H new ATOM 0 HA LYS A 23 -22.278 -4.780 -0.192 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -19.806 -5.271 1.460 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -21.395 -5.306 2.199 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -22.090 -7.048 0.511 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -20.449 -7.061 -0.103 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -19.579 -7.815 2.051 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -21.147 -7.617 2.808 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -20.854 -9.965 2.351 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -22.079 -9.362 1.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -20.639 -10.725 0.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -20.275 -9.130 -0.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -19.248 -9.965 0.630 1.00 0.00 H new ATOM 411 N TYR A 24 -20.803 -2.200 1.127 1.00 0.00 N ATOM 412 CA TYR A 24 -21.096 -0.938 1.805 1.00 0.00 C ATOM 413 C TYR A 24 -21.472 0.103 0.784 1.00 0.00 C ATOM 414 O TYR A 24 -22.512 0.765 0.884 1.00 0.00 O ATOM 415 CB TYR A 24 -19.866 -0.416 2.570 1.00 0.00 C ATOM 416 CG TYR A 24 -19.351 -1.285 3.691 1.00 0.00 C ATOM 417 CD1 TYR A 24 -18.579 -2.409 3.436 1.00 0.00 C ATOM 418 CD2 TYR A 24 -19.603 -0.953 5.010 1.00 0.00 C ATOM 419 CE1 TYR A 24 -18.077 -3.176 4.462 1.00 0.00 C ATOM 420 CE2 TYR A 24 -19.108 -1.719 6.044 1.00 0.00 C ATOM 421 CZ TYR A 24 -18.344 -2.828 5.764 1.00 0.00 C ATOM 422 OH TYR A 24 -17.832 -3.584 6.790 1.00 0.00 O ATOM 0 H TYR A 24 -19.833 -2.315 0.833 1.00 0.00 H new ATOM 0 HA TYR A 24 -21.911 -1.120 2.506 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -19.057 -0.267 1.855 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -20.111 0.563 2.982 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -18.368 -2.687 2.414 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -20.197 -0.079 5.234 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -17.476 -4.047 4.245 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -19.319 -1.450 7.068 1.00 0.00 H new ATOM 0 HH TYR A 24 -18.113 -3.203 7.648 1.00 0.00 H new ATOM 432 N GLY A 25 -20.653 0.210 -0.217 1.00 0.00 N ATOM 433 CA GLY A 25 -20.825 1.207 -1.213 1.00 0.00 C ATOM 434 C GLY A 25 -19.600 2.068 -1.275 1.00 0.00 C ATOM 435 O GLY A 25 -18.549 1.690 -0.754 1.00 0.00 O ATOM 0 H GLY A 25 -19.846 -0.397 -0.361 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -21.004 0.741 -2.182 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -21.700 1.816 -0.986 1.00 0.00 H new ATOM 439 N PHE A 26 -19.718 3.199 -1.880 1.00 0.00 N ATOM 440 CA PHE A 26 -18.622 4.126 -1.993 1.00 0.00 C ATOM 441 C PHE A 26 -18.932 5.348 -1.149 1.00 0.00 C ATOM 442 O PHE A 26 -20.049 5.477 -0.657 1.00 0.00 O ATOM 443 CB PHE A 26 -18.347 4.492 -3.472 1.00 0.00 C ATOM 444 CG PHE A 26 -19.527 5.065 -4.212 1.00 0.00 C ATOM 445 CD1 PHE A 26 -20.493 4.232 -4.750 1.00 0.00 C ATOM 446 CD2 PHE A 26 -19.665 6.430 -4.373 1.00 0.00 C ATOM 447 CE1 PHE A 26 -21.569 4.748 -5.426 1.00 0.00 C ATOM 448 CE2 PHE A 26 -20.741 6.952 -5.050 1.00 0.00 C ATOM 449 CZ PHE A 26 -21.696 6.111 -5.578 1.00 0.00 C ATOM 0 H PHE A 26 -20.582 3.519 -2.318 1.00 0.00 H new ATOM 0 HA PHE A 26 -17.708 3.664 -1.621 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -17.530 5.212 -3.507 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -18.007 3.598 -3.995 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -20.398 3.162 -4.636 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -18.919 7.094 -3.962 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -22.316 4.086 -5.839 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -20.838 8.021 -5.168 1.00 0.00 H new ATOM 0 HZ PHE A 26 -22.542 6.520 -6.110 1.00 0.00 H new ATOM 459 N THR A 27 -17.952 6.226 -0.976 1.00 0.00 N ATOM 460 CA THR A 27 -18.028 7.428 -0.136 1.00 0.00 C ATOM 461 C THR A 27 -18.273 7.125 1.365 1.00 0.00 C ATOM 462 O THR A 27 -18.491 8.032 2.177 1.00 0.00 O ATOM 463 CB THR A 27 -18.978 8.547 -0.691 1.00 0.00 C ATOM 464 OG1 THR A 27 -20.296 8.052 -1.023 1.00 0.00 O ATOM 465 CG2 THR A 27 -18.366 9.230 -1.904 1.00 0.00 C ATOM 0 H THR A 27 -17.045 6.122 -1.432 1.00 0.00 H new ATOM 0 HA THR A 27 -17.026 7.852 -0.195 1.00 0.00 H new ATOM 0 HB THR A 27 -19.094 9.272 0.115 1.00 0.00 H new ATOM 0 HG1 THR A 27 -20.427 7.170 -0.615 1.00 0.00 H new ATOM 0 HG21 THR A 27 -19.045 10.001 -2.269 1.00 0.00 H new ATOM 0 HG22 THR A 27 -17.416 9.686 -1.624 1.00 0.00 H new ATOM 0 HG23 THR A 27 -18.198 8.494 -2.690 1.00 0.00 H new ATOM 473 N HIS A 28 -18.176 5.852 1.719 1.00 0.00 N ATOM 474 CA HIS A 28 -18.314 5.397 3.085 1.00 0.00 C ATOM 475 C HIS A 28 -16.992 5.691 3.796 1.00 0.00 C ATOM 476 O HIS A 28 -15.930 5.459 3.229 1.00 0.00 O ATOM 477 CB HIS A 28 -18.659 3.890 3.081 1.00 0.00 C ATOM 478 CG HIS A 28 -18.900 3.269 4.429 1.00 0.00 C ATOM 479 ND1 HIS A 28 -20.121 3.248 5.068 1.00 0.00 N ATOM 480 CD2 HIS A 28 -18.046 2.615 5.240 1.00 0.00 C ATOM 481 CE1 HIS A 28 -19.971 2.595 6.221 1.00 0.00 C ATOM 482 NE2 HIS A 28 -18.721 2.186 6.373 1.00 0.00 N ATOM 0 H HIS A 28 -17.997 5.100 1.053 1.00 0.00 H new ATOM 0 HA HIS A 28 -19.119 5.909 3.612 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -19.549 3.742 2.470 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -17.845 3.352 2.595 1.00 0.00 H new ATOM 0 HD1 HIS A 28 -20.987 3.660 4.720 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -16.998 2.450 5.039 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -20.763 2.423 6.935 1.00 0.00 H new ATOM 490 N HIS A 29 -17.053 6.181 5.014 1.00 0.00 N ATOM 491 CA HIS A 29 -15.853 6.678 5.696 1.00 0.00 C ATOM 492 C HIS A 29 -14.817 5.616 6.036 1.00 0.00 C ATOM 493 O HIS A 29 -13.613 5.897 5.999 1.00 0.00 O ATOM 494 CB HIS A 29 -16.176 7.612 6.872 1.00 0.00 C ATOM 495 CG HIS A 29 -16.791 8.908 6.433 1.00 0.00 C ATOM 496 ND1 HIS A 29 -16.125 10.109 6.424 1.00 0.00 N ATOM 497 CD2 HIS A 29 -18.030 9.172 5.953 1.00 0.00 C ATOM 498 CE1 HIS A 29 -16.950 11.041 5.953 1.00 0.00 C ATOM 499 NE2 HIS A 29 -18.124 10.526 5.648 1.00 0.00 N ATOM 0 H HIS A 29 -17.911 6.251 5.561 1.00 0.00 H new ATOM 0 HA HIS A 29 -15.355 7.292 4.945 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -16.857 7.105 7.556 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -15.261 7.819 7.428 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -18.820 8.446 5.827 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -16.691 12.083 5.836 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -18.933 11.018 5.268 1.00 0.00 H new ATOM 507 N LYS A 30 -15.252 4.400 6.347 1.00 0.00 N ATOM 508 CA LYS A 30 -14.292 3.311 6.541 1.00 0.00 C ATOM 509 C LYS A 30 -13.593 3.052 5.228 1.00 0.00 C ATOM 510 O LYS A 30 -12.382 2.912 5.178 1.00 0.00 O ATOM 511 CB LYS A 30 -14.944 2.014 7.027 1.00 0.00 C ATOM 512 CG LYS A 30 -15.619 2.103 8.373 1.00 0.00 C ATOM 513 CD LYS A 30 -16.174 0.752 8.783 1.00 0.00 C ATOM 514 CE LYS A 30 -16.872 0.818 10.125 1.00 0.00 C ATOM 515 NZ LYS A 30 -18.034 1.731 10.104 1.00 0.00 N ATOM 0 H LYS A 30 -16.232 4.144 6.468 1.00 0.00 H new ATOM 0 HA LYS A 30 -13.592 3.623 7.316 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -15.681 1.697 6.289 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -14.181 1.236 7.071 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -14.907 2.451 9.121 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -16.424 2.836 8.334 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -16.874 0.401 8.025 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -15.364 0.024 8.829 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -17.202 -0.181 10.411 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -16.165 1.150 10.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -18.607 1.583 10.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -17.701 2.716 10.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -18.612 1.538 9.262 1.00 0.00 H new ATOM 529 N VAL A 31 -14.373 3.071 4.158 1.00 0.00 N ATOM 530 CA VAL A 31 -13.869 2.876 2.816 1.00 0.00 C ATOM 531 C VAL A 31 -12.878 3.993 2.471 1.00 0.00 C ATOM 532 O VAL A 31 -11.835 3.736 1.888 1.00 0.00 O ATOM 533 CB VAL A 31 -15.035 2.801 1.782 1.00 0.00 C ATOM 534 CG1 VAL A 31 -14.516 2.694 0.362 1.00 0.00 C ATOM 535 CG2 VAL A 31 -15.933 1.610 2.092 1.00 0.00 C ATOM 0 H VAL A 31 -15.381 3.224 4.202 1.00 0.00 H new ATOM 0 HA VAL A 31 -13.344 1.922 2.769 1.00 0.00 H new ATOM 0 HB VAL A 31 -15.609 3.724 1.863 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -15.357 2.644 -0.330 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -13.907 3.568 0.130 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -13.910 1.793 0.263 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -16.744 1.567 1.365 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -15.349 0.691 2.040 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -16.349 1.719 3.093 1.00 0.00 H new ATOM 545 N ILE A 32 -13.188 5.217 2.892 1.00 0.00 N ATOM 546 CA ILE A 32 -12.284 6.368 2.733 1.00 0.00 C ATOM 547 C ILE A 32 -10.967 6.108 3.481 1.00 0.00 C ATOM 548 O ILE A 32 -9.872 6.320 2.944 1.00 0.00 O ATOM 549 CB ILE A 32 -12.945 7.691 3.247 1.00 0.00 C ATOM 550 CG1 ILE A 32 -14.187 8.029 2.402 1.00 0.00 C ATOM 551 CG2 ILE A 32 -11.945 8.856 3.238 1.00 0.00 C ATOM 552 CD1 ILE A 32 -14.936 9.271 2.852 1.00 0.00 C ATOM 0 H ILE A 32 -14.069 5.445 3.353 1.00 0.00 H new ATOM 0 HA ILE A 32 -12.078 6.490 1.670 1.00 0.00 H new ATOM 0 HB ILE A 32 -13.257 7.535 4.280 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -13.880 8.161 1.365 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -14.870 7.180 2.427 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -12.436 9.759 3.600 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -11.101 8.616 3.885 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -11.587 9.020 2.222 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -15.795 9.433 2.201 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -15.278 9.138 3.878 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -14.273 10.135 2.800 1.00 0.00 H new ATOM 564 N SER A 33 -11.081 5.606 4.689 1.00 0.00 N ATOM 565 CA SER A 33 -9.932 5.272 5.496 1.00 0.00 C ATOM 566 C SER A 33 -9.088 4.155 4.834 1.00 0.00 C ATOM 567 O SER A 33 -7.863 4.145 4.931 1.00 0.00 O ATOM 568 CB SER A 33 -10.392 4.890 6.903 1.00 0.00 C ATOM 569 OG SER A 33 -11.145 5.961 7.480 1.00 0.00 O ATOM 0 H SER A 33 -11.976 5.418 5.140 1.00 0.00 H new ATOM 0 HA SER A 33 -9.282 6.143 5.574 1.00 0.00 H new ATOM 0 HB2 SER A 33 -11.001 3.987 6.863 1.00 0.00 H new ATOM 0 HB3 SER A 33 -9.528 4.664 7.528 1.00 0.00 H new ATOM 0 HG SER A 33 -12.016 6.025 7.036 1.00 0.00 H new ATOM 575 N PHE A 34 -9.741 3.225 4.163 1.00 0.00 N ATOM 576 CA PHE A 34 -9.028 2.185 3.442 1.00 0.00 C ATOM 577 C PHE A 34 -8.465 2.705 2.113 1.00 0.00 C ATOM 578 O PHE A 34 -7.427 2.247 1.652 1.00 0.00 O ATOM 579 CB PHE A 34 -9.884 0.939 3.237 1.00 0.00 C ATOM 580 CG PHE A 34 -10.433 0.366 4.513 1.00 0.00 C ATOM 581 CD1 PHE A 34 -9.638 0.219 5.639 1.00 0.00 C ATOM 582 CD2 PHE A 34 -11.745 -0.027 4.580 1.00 0.00 C ATOM 583 CE1 PHE A 34 -10.158 -0.305 6.803 1.00 0.00 C ATOM 584 CE2 PHE A 34 -12.273 -0.554 5.732 1.00 0.00 C ATOM 585 CZ PHE A 34 -11.478 -0.695 6.849 1.00 0.00 C ATOM 0 H PHE A 34 -10.757 3.167 4.101 1.00 0.00 H new ATOM 0 HA PHE A 34 -8.183 1.891 4.064 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -10.713 1.184 2.573 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -9.287 0.178 2.735 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -8.601 0.518 5.604 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -12.375 0.080 3.709 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -9.532 -0.409 7.677 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -13.309 -0.858 5.763 1.00 0.00 H new ATOM 0 HZ PHE A 34 -11.889 -1.110 7.757 1.00 0.00 H new ATOM 595 N SER A 35 -9.148 3.669 1.513 1.00 0.00 N ATOM 596 CA SER A 35 -8.706 4.262 0.255 1.00 0.00 C ATOM 597 C SER A 35 -7.394 5.030 0.459 1.00 0.00 C ATOM 598 O SER A 35 -6.466 4.938 -0.361 1.00 0.00 O ATOM 599 CB SER A 35 -9.794 5.176 -0.332 1.00 0.00 C ATOM 600 OG SER A 35 -11.007 4.451 -0.563 1.00 0.00 O ATOM 0 H SER A 35 -10.016 4.061 1.878 1.00 0.00 H new ATOM 0 HA SER A 35 -8.525 3.459 -0.460 1.00 0.00 H new ATOM 0 HB2 SER A 35 -9.986 6.003 0.351 1.00 0.00 H new ATOM 0 HB3 SER A 35 -9.442 5.610 -1.268 1.00 0.00 H new ATOM 0 HG SER A 35 -11.248 3.951 0.245 1.00 0.00 H new ATOM 606 N GLN A 36 -7.302 5.750 1.573 1.00 0.00 N ATOM 607 CA GLN A 36 -6.073 6.449 1.911 1.00 0.00 C ATOM 608 C GLN A 36 -5.007 5.449 2.340 1.00 0.00 C ATOM 609 O GLN A 36 -3.837 5.679 2.147 1.00 0.00 O ATOM 610 CB GLN A 36 -6.292 7.531 2.978 1.00 0.00 C ATOM 611 CG GLN A 36 -6.873 7.025 4.278 1.00 0.00 C ATOM 612 CD GLN A 36 -7.161 8.128 5.271 1.00 0.00 C ATOM 613 OE1 GLN A 36 -6.317 8.479 6.108 1.00 0.00 O ATOM 614 NE2 GLN A 36 -8.339 8.684 5.190 1.00 0.00 N ATOM 0 H GLN A 36 -8.057 5.863 2.249 1.00 0.00 H new ATOM 0 HA GLN A 36 -5.727 6.968 1.017 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -5.338 8.016 3.186 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -6.956 8.294 2.572 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -7.795 6.483 4.070 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -6.179 6.314 4.726 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -9.006 8.366 4.487 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -8.593 9.436 5.830 1.00 0.00 H new ATOM 623 N GLU A 37 -5.444 4.324 2.896 1.00 0.00 N ATOM 624 CA GLU A 37 -4.547 3.242 3.292 1.00 0.00 C ATOM 625 C GLU A 37 -3.906 2.620 2.044 1.00 0.00 C ATOM 626 O GLU A 37 -2.716 2.303 2.029 1.00 0.00 O ATOM 627 CB GLU A 37 -5.316 2.207 4.112 1.00 0.00 C ATOM 628 CG GLU A 37 -4.500 1.032 4.596 1.00 0.00 C ATOM 629 CD GLU A 37 -5.266 0.184 5.572 1.00 0.00 C ATOM 630 OE1 GLU A 37 -5.999 -0.723 5.152 1.00 0.00 O ATOM 631 OE2 GLU A 37 -5.153 0.421 6.793 1.00 0.00 O ATOM 0 H GLU A 37 -6.429 4.136 3.085 1.00 0.00 H new ATOM 0 HA GLU A 37 -3.746 3.633 3.919 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -5.754 2.705 4.977 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -6.142 1.831 3.509 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -4.199 0.423 3.744 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -3.586 1.394 5.068 1.00 0.00 H new ATOM 638 N LEU A 38 -4.705 2.486 0.994 1.00 0.00 N ATOM 639 CA LEU A 38 -4.230 2.031 -0.310 1.00 0.00 C ATOM 640 C LEU A 38 -3.187 3.028 -0.810 1.00 0.00 C ATOM 641 O LEU A 38 -2.110 2.651 -1.283 1.00 0.00 O ATOM 642 CB LEU A 38 -5.450 1.919 -1.293 1.00 0.00 C ATOM 643 CG LEU A 38 -5.226 1.397 -2.752 1.00 0.00 C ATOM 644 CD1 LEU A 38 -4.514 2.405 -3.651 1.00 0.00 C ATOM 645 CD2 LEU A 38 -4.480 0.082 -2.744 1.00 0.00 C ATOM 0 H LEU A 38 -5.704 2.690 1.021 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.768 1.046 -0.243 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -6.187 1.268 -0.824 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.900 2.909 -1.367 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.219 1.246 -3.176 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.390 1.980 -4.647 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.107 3.317 -3.716 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.535 2.638 -3.232 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.336 -0.261 -3.769 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.509 0.217 -2.267 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -5.056 -0.660 -2.191 1.00 0.00 H new ATOM 657 N ASP A 39 -3.508 4.299 -0.649 1.00 0.00 N ATOM 658 CA ASP A 39 -2.634 5.393 -1.050 1.00 0.00 C ATOM 659 C ASP A 39 -1.328 5.378 -0.249 1.00 0.00 C ATOM 660 O ASP A 39 -0.269 5.693 -0.782 1.00 0.00 O ATOM 661 CB ASP A 39 -3.358 6.733 -0.896 1.00 0.00 C ATOM 662 CG ASP A 39 -2.504 7.920 -1.275 1.00 0.00 C ATOM 663 OD1 ASP A 39 -2.431 8.269 -2.476 1.00 0.00 O ATOM 664 OD2 ASP A 39 -1.927 8.544 -0.388 1.00 0.00 O ATOM 0 H ASP A 39 -4.388 4.606 -0.234 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.376 5.259 -2.101 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -4.255 6.727 -1.515 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -3.685 6.845 0.138 1.00 0.00 H new ATOM 669 N ARG A 40 -1.407 4.981 1.024 1.00 0.00 N ATOM 670 CA ARG A 40 -0.216 4.853 1.870 1.00 0.00 C ATOM 671 C ARG A 40 0.701 3.803 1.292 1.00 0.00 C ATOM 672 O ARG A 40 1.900 4.027 1.159 1.00 0.00 O ATOM 673 CB ARG A 40 -0.552 4.440 3.307 1.00 0.00 C ATOM 674 CG ARG A 40 -1.523 5.332 4.041 1.00 0.00 C ATOM 675 CD ARG A 40 -1.083 6.774 4.076 1.00 0.00 C ATOM 676 NE ARG A 40 -2.038 7.580 4.825 1.00 0.00 N ATOM 677 CZ ARG A 40 -2.318 8.862 4.612 1.00 0.00 C ATOM 678 NH1 ARG A 40 -1.723 9.527 3.621 1.00 0.00 N ATOM 679 NH2 ARG A 40 -3.201 9.476 5.391 1.00 0.00 N ATOM 0 H ARG A 40 -2.282 4.743 1.491 1.00 0.00 H new ATOM 0 HA ARG A 40 0.258 5.834 1.895 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -0.961 3.430 3.288 1.00 0.00 H new ATOM 0 HB3 ARG A 40 0.375 4.398 3.878 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -2.501 5.267 3.563 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -1.642 4.969 5.062 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -0.097 6.849 4.534 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -0.992 7.158 3.060 1.00 0.00 H new ATOM 0 HE ARG A 40 -2.539 7.117 5.584 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -1.049 9.052 3.021 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -1.942 10.511 3.463 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -3.658 8.964 6.146 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -3.422 10.459 5.235 1.00 0.00 H new ATOM 693 N LEU A 41 0.115 2.662 0.934 1.00 0.00 N ATOM 694 CA LEU A 41 0.852 1.548 0.350 1.00 0.00 C ATOM 695 C LEU A 41 1.488 1.962 -0.967 1.00 0.00 C ATOM 696 O LEU A 41 2.636 1.628 -1.242 1.00 0.00 O ATOM 697 CB LEU A 41 -0.066 0.336 0.132 1.00 0.00 C ATOM 698 CG LEU A 41 -0.738 -0.251 1.380 1.00 0.00 C ATOM 699 CD1 LEU A 41 -1.656 -1.398 0.996 1.00 0.00 C ATOM 700 CD2 LEU A 41 0.303 -0.724 2.385 1.00 0.00 C ATOM 0 H LEU A 41 -0.884 2.486 1.041 1.00 0.00 H new ATOM 0 HA LEU A 41 1.639 1.264 1.048 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.847 0.623 -0.572 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.518 -0.452 -0.343 1.00 0.00 H new ATOM 0 HG LEU A 41 -1.332 0.534 1.847 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.125 -1.804 1.892 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.426 -1.035 0.315 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.076 -2.179 0.504 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -0.198 -1.136 3.261 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.927 -1.493 1.928 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.927 0.118 2.686 1.00 0.00 H new ATOM 712 N LEU A 42 0.741 2.709 -1.762 1.00 0.00 N ATOM 713 CA LEU A 42 1.232 3.225 -3.032 1.00 0.00 C ATOM 714 C LEU A 42 2.387 4.198 -2.785 1.00 0.00 C ATOM 715 O LEU A 42 3.406 4.177 -3.479 1.00 0.00 O ATOM 716 CB LEU A 42 0.098 3.930 -3.786 1.00 0.00 C ATOM 717 CG LEU A 42 0.446 4.506 -5.164 1.00 0.00 C ATOM 718 CD1 LEU A 42 0.831 3.402 -6.142 1.00 0.00 C ATOM 719 CD2 LEU A 42 -0.713 5.324 -5.703 1.00 0.00 C ATOM 0 H LEU A 42 -0.220 2.975 -1.548 1.00 0.00 H new ATOM 0 HA LEU A 42 1.593 2.395 -3.639 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.721 3.222 -3.909 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -0.274 4.742 -3.161 1.00 0.00 H new ATOM 0 HG LEU A 42 1.309 5.162 -5.049 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.072 3.841 -7.110 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.699 2.865 -5.761 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -0.003 2.709 -6.256 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.451 5.726 -6.682 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -1.594 4.689 -5.796 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.928 6.145 -5.019 1.00 0.00 H new ATOM 731 N ASN A 43 2.232 5.016 -1.763 1.00 0.00 N ATOM 732 CA ASN A 43 3.246 5.987 -1.377 1.00 0.00 C ATOM 733 C ASN A 43 4.479 5.338 -0.817 1.00 0.00 C ATOM 734 O ASN A 43 5.522 5.942 -0.812 1.00 0.00 O ATOM 735 CB ASN A 43 2.713 7.040 -0.396 1.00 0.00 C ATOM 736 CG ASN A 43 2.143 8.261 -1.086 1.00 0.00 C ATOM 737 OD1 ASN A 43 2.854 9.241 -1.315 1.00 0.00 O ATOM 738 ND2 ASN A 43 0.889 8.233 -1.403 1.00 0.00 N ATOM 0 H ASN A 43 1.400 5.029 -1.174 1.00 0.00 H new ATOM 0 HA ASN A 43 3.521 6.497 -2.300 1.00 0.00 H new ATOM 0 HB2 ASN A 43 1.941 6.589 0.227 1.00 0.00 H new ATOM 0 HB3 ASN A 43 3.519 7.349 0.269 1.00 0.00 H new ATOM 0 HD21 ASN A 43 0.460 9.039 -1.857 1.00 0.00 H new ATOM 0 HD22 ASN A 43 0.330 7.405 -1.199 1.00 0.00 H new ATOM 745 N LEU A 44 4.365 4.096 -0.366 1.00 0.00 N ATOM 746 CA LEU A 44 5.507 3.370 0.176 1.00 0.00 C ATOM 747 C LEU A 44 6.601 3.164 -0.872 1.00 0.00 C ATOM 748 O LEU A 44 7.783 3.141 -0.543 1.00 0.00 O ATOM 749 CB LEU A 44 5.096 2.044 0.835 1.00 0.00 C ATOM 750 CG LEU A 44 4.270 2.151 2.127 1.00 0.00 C ATOM 751 CD1 LEU A 44 3.918 0.773 2.655 1.00 0.00 C ATOM 752 CD2 LEU A 44 5.023 2.942 3.192 1.00 0.00 C ATOM 0 H LEU A 44 3.492 3.569 -0.365 1.00 0.00 H new ATOM 0 HA LEU A 44 5.927 3.996 0.963 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.523 1.465 0.110 1.00 0.00 H new ATOM 0 HB3 LEU A 44 6.000 1.476 1.054 1.00 0.00 H new ATOM 0 HG LEU A 44 3.348 2.681 1.890 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.334 0.872 3.570 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.334 0.235 1.908 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.833 0.220 2.867 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.417 3.003 4.096 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.964 2.442 3.419 1.00 0.00 H new ATOM 0 HD23 LEU A 44 5.226 3.947 2.823 1.00 0.00 H new ATOM 764 N LEU A 45 6.206 3.034 -2.136 1.00 0.00 N ATOM 765 CA LEU A 45 7.180 2.901 -3.228 1.00 0.00 C ATOM 766 C LEU A 45 7.949 4.209 -3.401 1.00 0.00 C ATOM 767 O LEU A 45 9.149 4.217 -3.693 1.00 0.00 O ATOM 768 CB LEU A 45 6.525 2.506 -4.576 1.00 0.00 C ATOM 769 CG LEU A 45 5.929 1.088 -4.712 1.00 0.00 C ATOM 770 CD1 LEU A 45 4.679 0.906 -3.877 1.00 0.00 C ATOM 771 CD2 LEU A 45 5.644 0.771 -6.169 1.00 0.00 C ATOM 0 H LEU A 45 5.230 3.017 -2.433 1.00 0.00 H new ATOM 0 HA LEU A 45 7.858 2.095 -2.949 1.00 0.00 H new ATOM 0 HB2 LEU A 45 5.730 3.222 -4.782 1.00 0.00 H new ATOM 0 HB3 LEU A 45 7.274 2.628 -5.358 1.00 0.00 H new ATOM 0 HG LEU A 45 6.674 0.389 -4.332 1.00 0.00 H new ATOM 0 HD11 LEU A 45 4.299 -0.107 -4.007 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.916 1.072 -2.826 1.00 0.00 H new ATOM 0 HD13 LEU A 45 3.921 1.622 -4.196 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.224 -0.232 -6.248 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.932 1.495 -6.566 1.00 0.00 H new ATOM 0 HD23 LEU A 45 6.571 0.822 -6.741 1.00 0.00 H new ATOM 783 N ILE A 46 7.245 5.304 -3.203 1.00 0.00 N ATOM 784 CA ILE A 46 7.809 6.646 -3.282 1.00 0.00 C ATOM 785 C ILE A 46 8.686 6.887 -2.045 1.00 0.00 C ATOM 786 O ILE A 46 9.833 7.315 -2.147 1.00 0.00 O ATOM 787 CB ILE A 46 6.661 7.702 -3.327 1.00 0.00 C ATOM 788 CG1 ILE A 46 5.736 7.431 -4.531 1.00 0.00 C ATOM 789 CG2 ILE A 46 7.213 9.129 -3.375 1.00 0.00 C ATOM 790 CD1 ILE A 46 4.534 8.352 -4.616 1.00 0.00 C ATOM 0 H ILE A 46 6.250 5.292 -2.979 1.00 0.00 H new ATOM 0 HA ILE A 46 8.409 6.741 -4.187 1.00 0.00 H new ATOM 0 HB ILE A 46 6.080 7.609 -2.410 1.00 0.00 H new ATOM 0 HG12 ILE A 46 6.317 7.526 -5.449 1.00 0.00 H new ATOM 0 HG13 ILE A 46 5.386 6.400 -4.480 1.00 0.00 H new ATOM 0 HG21 ILE A 46 6.386 9.838 -3.406 1.00 0.00 H new ATOM 0 HG22 ILE A 46 7.818 9.315 -2.488 1.00 0.00 H new ATOM 0 HG23 ILE A 46 7.829 9.251 -4.266 1.00 0.00 H new ATOM 0 HD11 ILE A 46 3.938 8.092 -5.491 1.00 0.00 H new ATOM 0 HD12 ILE A 46 3.927 8.242 -3.717 1.00 0.00 H new ATOM 0 HD13 ILE A 46 4.872 9.385 -4.701 1.00 0.00 H new ATOM 802 N GLU A 47 8.131 6.534 -0.904 1.00 0.00 N ATOM 803 CA GLU A 47 8.739 6.654 0.413 1.00 0.00 C ATOM 804 C GLU A 47 10.060 5.873 0.486 1.00 0.00 C ATOM 805 O GLU A 47 10.975 6.253 1.210 1.00 0.00 O ATOM 806 CB GLU A 47 7.718 6.155 1.450 1.00 0.00 C ATOM 807 CG GLU A 47 8.121 6.240 2.910 1.00 0.00 C ATOM 808 CD GLU A 47 8.557 7.613 3.341 1.00 0.00 C ATOM 809 OE1 GLU A 47 7.874 8.607 3.002 1.00 0.00 O ATOM 810 OE2 GLU A 47 9.566 7.713 4.062 1.00 0.00 O ATOM 0 H GLU A 47 7.194 6.134 -0.864 1.00 0.00 H new ATOM 0 HA GLU A 47 8.991 7.694 0.621 1.00 0.00 H new ATOM 0 HB2 GLU A 47 6.797 6.723 1.319 1.00 0.00 H new ATOM 0 HB3 GLU A 47 7.485 5.115 1.223 1.00 0.00 H new ATOM 0 HG2 GLU A 47 7.280 5.925 3.528 1.00 0.00 H new ATOM 0 HG3 GLU A 47 8.933 5.537 3.095 1.00 0.00 H new ATOM 817 N LEU A 48 10.148 4.795 -0.277 1.00 0.00 N ATOM 818 CA LEU A 48 11.345 3.991 -0.348 1.00 0.00 C ATOM 819 C LEU A 48 12.534 4.785 -0.901 1.00 0.00 C ATOM 820 O LEU A 48 13.676 4.612 -0.461 1.00 0.00 O ATOM 821 CB LEU A 48 11.095 2.772 -1.191 1.00 0.00 C ATOM 822 CG LEU A 48 12.241 1.772 -1.246 1.00 0.00 C ATOM 823 CD1 LEU A 48 12.746 1.440 0.167 1.00 0.00 C ATOM 824 CD2 LEU A 48 11.733 0.538 -1.885 1.00 0.00 C ATOM 0 H LEU A 48 9.386 4.457 -0.864 1.00 0.00 H new ATOM 0 HA LEU A 48 11.601 3.684 0.666 1.00 0.00 H new ATOM 0 HB2 LEU A 48 10.209 2.263 -0.811 1.00 0.00 H new ATOM 0 HB3 LEU A 48 10.867 3.094 -2.207 1.00 0.00 H new ATOM 0 HG LEU A 48 13.070 2.197 -1.812 1.00 0.00 H new ATOM 0 HD11 LEU A 48 13.565 0.723 0.102 1.00 0.00 H new ATOM 0 HD12 LEU A 48 13.099 2.351 0.651 1.00 0.00 H new ATOM 0 HD13 LEU A 48 11.933 1.010 0.752 1.00 0.00 H new ATOM 0 HD21 LEU A 48 12.533 -0.200 -1.939 1.00 0.00 H new ATOM 0 HD22 LEU A 48 10.908 0.136 -1.296 1.00 0.00 H new ATOM 0 HD23 LEU A 48 11.382 0.767 -2.891 1.00 0.00 H new ATOM 836 N LYS A 49 12.262 5.676 -1.835 1.00 0.00 N ATOM 837 CA LYS A 49 13.303 6.513 -2.411 1.00 0.00 C ATOM 838 C LYS A 49 13.728 7.543 -1.381 1.00 0.00 C ATOM 839 O LYS A 49 14.915 7.845 -1.224 1.00 0.00 O ATOM 840 CB LYS A 49 12.803 7.219 -3.668 1.00 0.00 C ATOM 841 CG LYS A 49 12.294 6.286 -4.750 1.00 0.00 C ATOM 842 CD LYS A 49 11.857 7.072 -5.967 1.00 0.00 C ATOM 843 CE LYS A 49 11.245 6.175 -7.026 1.00 0.00 C ATOM 844 NZ LYS A 49 10.838 6.944 -8.217 1.00 0.00 N ATOM 0 H LYS A 49 11.329 5.841 -2.213 1.00 0.00 H new ATOM 0 HA LYS A 49 14.149 5.885 -2.689 1.00 0.00 H new ATOM 0 HB2 LYS A 49 12.003 7.905 -3.391 1.00 0.00 H new ATOM 0 HB3 LYS A 49 13.613 7.823 -4.077 1.00 0.00 H new ATOM 0 HG2 LYS A 49 13.077 5.581 -5.028 1.00 0.00 H new ATOM 0 HG3 LYS A 49 11.458 5.700 -4.369 1.00 0.00 H new ATOM 0 HD2 LYS A 49 11.132 7.830 -5.669 1.00 0.00 H new ATOM 0 HD3 LYS A 49 12.714 7.598 -6.387 1.00 0.00 H new ATOM 0 HE2 LYS A 49 11.964 5.409 -7.315 1.00 0.00 H new ATOM 0 HE3 LYS A 49 10.379 5.659 -6.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 10.424 6.300 -8.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 10.134 7.659 -7.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 11.669 7.416 -8.626 1.00 0.00 H new ATOM 858 N THR A 50 12.743 8.017 -0.642 1.00 0.00 N ATOM 859 CA THR A 50 12.898 9.001 0.407 1.00 0.00 C ATOM 860 C THR A 50 13.837 8.488 1.524 1.00 0.00 C ATOM 861 O THR A 50 14.463 9.278 2.246 1.00 0.00 O ATOM 862 CB THR A 50 11.504 9.313 0.977 1.00 0.00 C ATOM 863 OG1 THR A 50 10.625 9.587 -0.129 1.00 0.00 O ATOM 864 CG2 THR A 50 11.533 10.522 1.902 1.00 0.00 C ATOM 0 H THR A 50 11.777 7.714 -0.762 1.00 0.00 H new ATOM 0 HA THR A 50 13.351 9.903 -0.003 1.00 0.00 H new ATOM 0 HB THR A 50 11.160 8.458 1.559 1.00 0.00 H new ATOM 0 HG1 THR A 50 9.727 9.788 0.209 1.00 0.00 H new ATOM 0 HG21 THR A 50 10.530 10.711 2.285 1.00 0.00 H new ATOM 0 HG22 THR A 50 12.209 10.327 2.735 1.00 0.00 H new ATOM 0 HG23 THR A 50 11.881 11.395 1.349 1.00 0.00 H new ATOM 872 N LYS A 51 13.969 7.165 1.611 1.00 0.00 N ATOM 873 CA LYS A 51 14.825 6.509 2.601 1.00 0.00 C ATOM 874 C LYS A 51 16.306 6.788 2.338 1.00 0.00 C ATOM 875 O LYS A 51 17.132 6.497 3.177 1.00 0.00 O ATOM 876 CB LYS A 51 14.599 4.987 2.625 1.00 0.00 C ATOM 877 CG LYS A 51 13.164 4.548 2.857 1.00 0.00 C ATOM 878 CD LYS A 51 12.561 5.200 4.077 1.00 0.00 C ATOM 879 CE LYS A 51 11.157 4.702 4.313 1.00 0.00 C ATOM 880 NZ LYS A 51 10.444 5.513 5.322 1.00 0.00 N ATOM 0 H LYS A 51 13.483 6.514 0.994 1.00 0.00 H new ATOM 0 HA LYS A 51 14.550 6.926 3.570 1.00 0.00 H new ATOM 0 HB2 LYS A 51 14.940 4.571 1.677 1.00 0.00 H new ATOM 0 HB3 LYS A 51 15.225 4.556 3.406 1.00 0.00 H new ATOM 0 HG2 LYS A 51 12.564 4.794 1.981 1.00 0.00 H new ATOM 0 HG3 LYS A 51 13.131 3.465 2.972 1.00 0.00 H new ATOM 0 HD2 LYS A 51 13.178 4.988 4.950 1.00 0.00 H new ATOM 0 HD3 LYS A 51 12.551 6.282 3.949 1.00 0.00 H new ATOM 0 HE2 LYS A 51 10.603 4.722 3.375 1.00 0.00 H new ATOM 0 HE3 LYS A 51 11.191 3.663 4.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 9.508 5.097 5.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 10.993 5.530 6.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 10.328 6.484 4.968 1.00 0.00 H new ATOM 894 N LYS A 52 16.615 7.270 1.113 1.00 0.00 N ATOM 895 CA LYS A 52 17.986 7.624 0.608 1.00 0.00 C ATOM 896 C LYS A 52 18.945 6.430 0.559 1.00 0.00 C ATOM 897 O LYS A 52 20.121 6.569 0.227 1.00 0.00 O ATOM 898 CB LYS A 52 18.646 8.853 1.314 1.00 0.00 C ATOM 899 CG LYS A 52 19.101 8.631 2.747 1.00 0.00 C ATOM 900 CD LYS A 52 19.806 9.845 3.309 1.00 0.00 C ATOM 901 CE LYS A 52 20.197 9.624 4.758 1.00 0.00 C ATOM 902 NZ LYS A 52 19.009 9.436 5.618 1.00 0.00 N ATOM 0 H LYS A 52 15.894 7.434 0.410 1.00 0.00 H new ATOM 0 HA LYS A 52 17.801 7.935 -0.420 1.00 0.00 H new ATOM 0 HB2 LYS A 52 19.507 9.167 0.724 1.00 0.00 H new ATOM 0 HB3 LYS A 52 17.935 9.679 1.303 1.00 0.00 H new ATOM 0 HG2 LYS A 52 18.238 8.392 3.369 1.00 0.00 H new ATOM 0 HG3 LYS A 52 19.770 7.772 2.786 1.00 0.00 H new ATOM 0 HD2 LYS A 52 20.696 10.060 2.717 1.00 0.00 H new ATOM 0 HD3 LYS A 52 19.155 10.716 3.233 1.00 0.00 H new ATOM 0 HE2 LYS A 52 20.843 8.749 4.832 1.00 0.00 H new ATOM 0 HE3 LYS A 52 20.774 10.477 5.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 19.276 9.575 6.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 18.278 10.127 5.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 18.637 8.473 5.490 1.00 0.00 H new ATOM 916 N LYS A 53 18.429 5.257 0.844 1.00 0.00 N ATOM 917 CA LYS A 53 19.200 4.029 0.753 1.00 0.00 C ATOM 918 C LYS A 53 18.956 3.374 -0.596 1.00 0.00 C ATOM 919 O LYS A 53 19.248 2.198 -0.824 1.00 0.00 O ATOM 920 CB LYS A 53 18.914 3.095 1.960 1.00 0.00 C ATOM 921 CG LYS A 53 17.435 2.724 2.232 1.00 0.00 C ATOM 922 CD LYS A 53 16.808 1.737 1.222 1.00 0.00 C ATOM 923 CE LYS A 53 17.310 0.277 1.363 1.00 0.00 C ATOM 924 NZ LYS A 53 18.745 0.083 1.038 1.00 0.00 N ATOM 0 H LYS A 53 17.464 5.122 1.146 1.00 0.00 H new ATOM 0 HA LYS A 53 20.264 4.257 0.811 1.00 0.00 H new ATOM 0 HB2 LYS A 53 19.473 2.171 1.812 1.00 0.00 H new ATOM 0 HB3 LYS A 53 19.314 3.569 2.856 1.00 0.00 H new ATOM 0 HG2 LYS A 53 17.363 2.292 3.230 1.00 0.00 H new ATOM 0 HG3 LYS A 53 16.843 3.639 2.237 1.00 0.00 H new ATOM 0 HD2 LYS A 53 15.725 1.750 1.343 1.00 0.00 H new ATOM 0 HD3 LYS A 53 17.020 2.086 0.211 1.00 0.00 H new ATOM 0 HE2 LYS A 53 17.134 -0.057 2.386 1.00 0.00 H new ATOM 0 HE3 LYS A 53 16.714 -0.363 0.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 18.881 -0.858 0.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 19.050 0.812 0.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 19.311 0.158 1.907 1.00 0.00 H new ATOM 938 N ARG A 54 18.405 4.171 -1.471 1.00 0.00 N ATOM 939 CA ARG A 54 18.153 3.806 -2.834 1.00 0.00 C ATOM 940 C ARG A 54 19.476 3.701 -3.575 1.00 0.00 C ATOM 941 O ARG A 54 20.355 4.558 -3.422 1.00 0.00 O ATOM 942 CB ARG A 54 17.225 4.848 -3.498 1.00 0.00 C ATOM 943 CG ARG A 54 17.644 6.304 -3.273 1.00 0.00 C ATOM 944 CD ARG A 54 16.733 7.280 -4.004 1.00 0.00 C ATOM 945 NE ARG A 54 17.019 8.683 -3.646 1.00 0.00 N ATOM 946 CZ ARG A 54 16.998 9.724 -4.501 1.00 0.00 C ATOM 947 NH1 ARG A 54 16.744 9.535 -5.802 1.00 0.00 N ATOM 948 NH2 ARG A 54 17.234 10.948 -4.047 1.00 0.00 N ATOM 0 H ARG A 54 18.111 5.121 -1.245 1.00 0.00 H new ATOM 0 HA ARG A 54 17.652 2.839 -2.872 1.00 0.00 H new ATOM 0 HB2 ARG A 54 17.190 4.654 -4.570 1.00 0.00 H new ATOM 0 HB3 ARG A 54 16.213 4.711 -3.116 1.00 0.00 H new ATOM 0 HG2 ARG A 54 17.629 6.525 -2.206 1.00 0.00 H new ATOM 0 HG3 ARG A 54 18.670 6.442 -3.613 1.00 0.00 H new ATOM 0 HD2 ARG A 54 16.852 7.150 -5.080 1.00 0.00 H new ATOM 0 HD3 ARG A 54 15.694 7.051 -3.768 1.00 0.00 H new ATOM 0 HE ARG A 54 17.251 8.880 -2.673 1.00 0.00 H new ATOM 0 HH11 ARG A 54 16.564 8.595 -6.155 1.00 0.00 H new ATOM 0 HH12 ARG A 54 16.731 10.331 -6.440 1.00 0.00 H new ATOM 0 HH21 ARG A 54 17.430 11.096 -3.057 1.00 0.00 H new ATOM 0 HH22 ARG A 54 17.220 11.741 -4.688 1.00 0.00 H new ATOM 962 N TYR A 55 19.607 2.684 -4.406 1.00 0.00 N ATOM 963 CA TYR A 55 20.849 2.433 -5.130 1.00 0.00 C ATOM 964 C TYR A 55 21.100 3.475 -6.197 1.00 0.00 C ATOM 965 O TYR A 55 22.204 3.587 -6.730 1.00 0.00 O ATOM 966 CB TYR A 55 20.888 1.022 -5.699 1.00 0.00 C ATOM 967 CG TYR A 55 20.944 -0.045 -4.626 1.00 0.00 C ATOM 968 CD1 TYR A 55 22.165 -0.462 -4.110 1.00 0.00 C ATOM 969 CD2 TYR A 55 19.786 -0.623 -4.117 1.00 0.00 C ATOM 970 CE1 TYR A 55 22.233 -1.424 -3.123 1.00 0.00 C ATOM 971 CE2 TYR A 55 19.847 -1.585 -3.126 1.00 0.00 C ATOM 972 CZ TYR A 55 21.073 -1.980 -2.634 1.00 0.00 C ATOM 973 OH TYR A 55 21.139 -2.934 -1.646 1.00 0.00 O ATOM 0 H TYR A 55 18.865 2.011 -4.600 1.00 0.00 H new ATOM 0 HA TYR A 55 21.663 2.515 -4.410 1.00 0.00 H new ATOM 0 HB2 TYR A 55 20.006 0.861 -6.319 1.00 0.00 H new ATOM 0 HB3 TYR A 55 21.757 0.922 -6.349 1.00 0.00 H new ATOM 0 HD1 TYR A 55 23.077 -0.025 -4.488 1.00 0.00 H new ATOM 0 HD2 TYR A 55 18.825 -0.316 -4.502 1.00 0.00 H new ATOM 0 HE1 TYR A 55 23.191 -1.739 -2.737 1.00 0.00 H new ATOM 0 HE2 TYR A 55 18.939 -2.025 -2.739 1.00 0.00 H new ATOM 0 HH TYR A 55 20.233 -3.224 -1.411 1.00 0.00 H new ATOM 983 N SER A 56 20.090 4.281 -6.455 1.00 0.00 N ATOM 984 CA SER A 56 20.175 5.394 -7.370 1.00 0.00 C ATOM 985 C SER A 56 21.081 6.517 -6.802 1.00 0.00 C ATOM 986 O SER A 56 21.277 7.537 -7.438 1.00 0.00 O ATOM 987 CB SER A 56 18.779 5.935 -7.619 1.00 0.00 C ATOM 988 OG SER A 56 17.889 4.881 -7.991 1.00 0.00 O ATOM 0 H SER A 56 19.171 4.176 -6.025 1.00 0.00 H new ATOM 0 HA SER A 56 20.616 5.048 -8.305 1.00 0.00 H new ATOM 0 HB2 SER A 56 18.410 6.430 -6.721 1.00 0.00 H new ATOM 0 HB3 SER A 56 18.810 6.687 -8.407 1.00 0.00 H new ATOM 0 HG SER A 56 16.994 5.248 -8.146 1.00 0.00 H new ATOM 994 N LEU A 57 21.566 6.344 -5.581 1.00 0.00 N ATOM 995 CA LEU A 57 22.530 7.267 -5.018 1.00 0.00 C ATOM 996 C LEU A 57 23.895 6.597 -4.922 1.00 0.00 C ATOM 997 O LEU A 57 24.856 7.189 -4.456 1.00 0.00 O ATOM 998 CB LEU A 57 22.076 7.778 -3.640 1.00 0.00 C ATOM 999 CG LEU A 57 20.793 8.626 -3.611 1.00 0.00 C ATOM 1000 CD1 LEU A 57 20.445 9.013 -2.187 1.00 0.00 C ATOM 1001 CD2 LEU A 57 20.944 9.876 -4.473 1.00 0.00 C ATOM 0 H LEU A 57 21.306 5.573 -4.965 1.00 0.00 H new ATOM 0 HA LEU A 57 22.605 8.130 -5.679 1.00 0.00 H new ATOM 0 HB2 LEU A 57 21.931 6.917 -2.988 1.00 0.00 H new ATOM 0 HB3 LEU A 57 22.885 8.369 -3.212 1.00 0.00 H new ATOM 0 HG LEU A 57 19.982 8.023 -4.021 1.00 0.00 H new ATOM 0 HD11 LEU A 57 19.535 9.613 -2.185 1.00 0.00 H new ATOM 0 HD12 LEU A 57 20.288 8.112 -1.593 1.00 0.00 H new ATOM 0 HD13 LEU A 57 21.262 9.593 -1.757 1.00 0.00 H new ATOM 0 HD21 LEU A 57 20.023 10.458 -4.435 1.00 0.00 H new ATOM 0 HD22 LEU A 57 21.770 10.480 -4.097 1.00 0.00 H new ATOM 0 HD23 LEU A 57 21.147 9.585 -5.504 1.00 0.00 H new ATOM 1013 N LEU A 58 23.961 5.350 -5.362 1.00 0.00 N ATOM 1014 CA LEU A 58 25.197 4.571 -5.308 1.00 0.00 C ATOM 1015 C LEU A 58 25.751 4.353 -6.702 1.00 0.00 C ATOM 1016 O LEU A 58 26.888 4.701 -6.984 1.00 0.00 O ATOM 1017 CB LEU A 58 25.006 3.204 -4.605 1.00 0.00 C ATOM 1018 CG LEU A 58 24.832 3.193 -3.067 1.00 0.00 C ATOM 1019 CD1 LEU A 58 23.545 3.867 -2.622 1.00 0.00 C ATOM 1020 CD2 LEU A 58 24.888 1.768 -2.550 1.00 0.00 C ATOM 0 H LEU A 58 23.169 4.849 -5.764 1.00 0.00 H new ATOM 0 HA LEU A 58 25.906 5.151 -4.717 1.00 0.00 H new ATOM 0 HB2 LEU A 58 24.131 2.723 -5.043 1.00 0.00 H new ATOM 0 HB3 LEU A 58 25.867 2.581 -4.848 1.00 0.00 H new ATOM 0 HG LEU A 58 25.654 3.769 -2.643 1.00 0.00 H new ATOM 0 HD11 LEU A 58 23.473 3.831 -1.535 1.00 0.00 H new ATOM 0 HD12 LEU A 58 23.545 4.906 -2.952 1.00 0.00 H new ATOM 0 HD13 LEU A 58 22.692 3.348 -3.059 1.00 0.00 H new ATOM 0 HD21 LEU A 58 24.765 1.769 -1.467 1.00 0.00 H new ATOM 0 HD22 LEU A 58 24.088 1.184 -3.006 1.00 0.00 H new ATOM 0 HD23 LEU A 58 25.851 1.326 -2.805 1.00 0.00 H new ATOM 1032 N GLU A 59 24.932 3.809 -7.586 1.00 0.00 N ATOM 1033 CA GLU A 59 25.362 3.538 -8.957 1.00 0.00 C ATOM 1034 C GLU A 59 25.091 4.743 -9.843 1.00 0.00 C ATOM 1035 O GLU A 59 25.343 4.732 -11.039 1.00 0.00 O ATOM 1036 CB GLU A 59 24.658 2.299 -9.524 1.00 0.00 C ATOM 1037 CG GLU A 59 23.138 2.392 -9.532 1.00 0.00 C ATOM 1038 CD GLU A 59 22.500 1.273 -10.312 1.00 0.00 C ATOM 1039 OE1 GLU A 59 22.668 1.231 -11.562 1.00 0.00 O ATOM 1040 OE2 GLU A 59 21.808 0.424 -9.719 1.00 0.00 O ATOM 0 H GLU A 59 23.967 3.545 -7.385 1.00 0.00 H new ATOM 0 HA GLU A 59 26.434 3.342 -8.940 1.00 0.00 H new ATOM 0 HB2 GLU A 59 25.006 2.132 -10.544 1.00 0.00 H new ATOM 0 HB3 GLU A 59 24.954 1.428 -8.940 1.00 0.00 H new ATOM 0 HG2 GLU A 59 22.770 2.373 -8.506 1.00 0.00 H new ATOM 0 HG3 GLU A 59 22.837 3.348 -9.961 1.00 0.00 H new ATOM 1047 N HIS A 60 24.594 5.760 -9.234 1.00 0.00 N ATOM 1048 CA HIS A 60 24.233 6.969 -9.881 1.00 0.00 C ATOM 1049 C HIS A 60 24.687 8.106 -8.985 1.00 0.00 C ATOM 1050 O HIS A 60 24.180 8.268 -7.876 1.00 0.00 O ATOM 1051 CB HIS A 60 22.705 6.966 -10.105 1.00 0.00 C ATOM 1052 CG HIS A 60 22.097 8.237 -10.622 1.00 0.00 C ATOM 1053 ND1 HIS A 60 21.522 9.180 -9.807 1.00 0.00 N ATOM 1054 CD2 HIS A 60 21.929 8.682 -11.885 1.00 0.00 C ATOM 1055 CE1 HIS A 60 21.031 10.150 -10.570 1.00 0.00 C ATOM 1056 NE2 HIS A 60 21.249 9.899 -11.853 1.00 0.00 N ATOM 0 H HIS A 60 24.421 5.772 -8.229 1.00 0.00 H new ATOM 0 HA HIS A 60 24.704 7.083 -10.857 1.00 0.00 H new ATOM 0 HB2 HIS A 60 22.465 6.165 -10.804 1.00 0.00 H new ATOM 0 HB3 HIS A 60 22.223 6.718 -9.159 1.00 0.00 H new ATOM 0 HD1 HIS A 60 21.479 9.142 -8.789 1.00 0.00 H new ATOM 0 HD2 HIS A 60 22.267 8.177 -12.778 1.00 0.00 H new ATOM 0 HE1 HIS A 60 20.522 11.026 -10.195 1.00 0.00 H new ATOM 1064 N HIS A 61 25.674 8.833 -9.428 1.00 0.00 N ATOM 1065 CA HIS A 61 26.219 9.927 -8.660 1.00 0.00 C ATOM 1066 C HIS A 61 25.401 11.158 -8.914 1.00 0.00 C ATOM 1067 O HIS A 61 25.550 11.824 -9.938 1.00 0.00 O ATOM 1068 CB HIS A 61 27.703 10.183 -8.986 1.00 0.00 C ATOM 1069 CG HIS A 61 28.617 9.034 -8.655 1.00 0.00 C ATOM 1070 ND1 HIS A 61 29.379 8.957 -7.505 1.00 0.00 N ATOM 1071 CD2 HIS A 61 28.891 7.907 -9.357 1.00 0.00 C ATOM 1072 CE1 HIS A 61 30.076 7.818 -7.544 1.00 0.00 C ATOM 1073 NE2 HIS A 61 29.814 7.138 -8.653 1.00 0.00 N ATOM 0 H HIS A 61 26.126 8.687 -10.331 1.00 0.00 H new ATOM 0 HA HIS A 61 26.173 9.662 -7.604 1.00 0.00 H new ATOM 0 HB2 HIS A 61 27.795 10.411 -10.048 1.00 0.00 H new ATOM 0 HB3 HIS A 61 28.036 11.066 -8.440 1.00 0.00 H new ATOM 0 HD2 HIS A 61 28.461 7.646 -10.313 1.00 0.00 H new ATOM 0 HE1 HIS A 61 30.762 7.494 -6.775 1.00 0.00 H new ATOM 0 HE2 HIS A 61 30.207 6.239 -8.932 1.00 0.00 H new ATOM 1081 N HIS A 62 24.506 11.427 -8.018 1.00 0.00 N ATOM 1082 CA HIS A 62 23.622 12.547 -8.152 1.00 0.00 C ATOM 1083 C HIS A 62 24.181 13.749 -7.407 1.00 0.00 C ATOM 1084 O HIS A 62 24.715 14.686 -8.022 1.00 0.00 O ATOM 1085 CB HIS A 62 22.210 12.179 -7.637 1.00 0.00 C ATOM 1086 CG HIS A 62 21.204 13.288 -7.755 1.00 0.00 C ATOM 1087 ND1 HIS A 62 20.690 13.983 -6.679 1.00 0.00 N ATOM 1088 CD2 HIS A 62 20.621 13.816 -8.853 1.00 0.00 C ATOM 1089 CE1 HIS A 62 19.839 14.891 -7.148 1.00 0.00 C ATOM 1090 NE2 HIS A 62 19.759 14.832 -8.465 1.00 0.00 N ATOM 0 H HIS A 62 24.365 10.877 -7.170 1.00 0.00 H new ATOM 0 HA HIS A 62 23.539 12.810 -9.206 1.00 0.00 H new ATOM 0 HB2 HIS A 62 21.847 11.314 -8.192 1.00 0.00 H new ATOM 0 HB3 HIS A 62 22.283 11.880 -6.591 1.00 0.00 H new ATOM 0 HD2 HIS A 62 20.797 13.498 -9.870 1.00 0.00 H new ATOM 0 HE1 HIS A 62 19.286 15.585 -6.533 1.00 0.00 H new ATOM 0 HE2 HIS A 62 19.182 15.414 -9.072 1.00 0.00 H new ATOM 1098 N HIS A 63 24.129 13.674 -6.098 1.00 0.00 N ATOM 1099 CA HIS A 63 24.501 14.745 -5.199 1.00 0.00 C ATOM 1100 C HIS A 63 24.196 14.232 -3.806 1.00 0.00 C ATOM 1101 O HIS A 63 23.136 13.635 -3.597 1.00 0.00 O ATOM 1102 CB HIS A 63 23.624 16.002 -5.502 1.00 0.00 C ATOM 1103 CG HIS A 63 23.983 17.276 -4.774 1.00 0.00 C ATOM 1104 ND1 HIS A 63 24.439 18.413 -5.408 1.00 0.00 N ATOM 1105 CD2 HIS A 63 23.869 17.606 -3.466 1.00 0.00 C ATOM 1106 CE1 HIS A 63 24.585 19.370 -4.503 1.00 0.00 C ATOM 1107 NE2 HIS A 63 24.250 18.939 -3.293 1.00 0.00 N ATOM 0 H HIS A 63 23.815 12.835 -5.610 1.00 0.00 H new ATOM 0 HA HIS A 63 25.549 15.027 -5.306 1.00 0.00 H new ATOM 0 HB2 HIS A 63 23.671 16.198 -6.573 1.00 0.00 H new ATOM 0 HB3 HIS A 63 22.588 15.758 -5.268 1.00 0.00 H new ATOM 0 HD2 HIS A 63 23.536 16.944 -2.681 1.00 0.00 H new ATOM 0 HE1 HIS A 63 24.931 20.369 -4.721 1.00 0.00 H new ATOM 0 HE2 HIS A 63 24.267 19.469 -2.422 1.00 0.00 H new ATOM 1115 N HIS A 64 25.109 14.386 -2.892 1.00 0.00 N ATOM 1116 CA HIS A 64 24.887 13.987 -1.557 1.00 0.00 C ATOM 1117 C HIS A 64 24.784 15.204 -0.650 1.00 0.00 C ATOM 1118 O HIS A 64 25.815 15.782 -0.267 1.00 0.00 O ATOM 1119 CB HIS A 64 25.913 12.926 -1.078 1.00 0.00 C ATOM 1120 CG HIS A 64 27.390 13.228 -1.253 1.00 0.00 C ATOM 1121 ND1 HIS A 64 28.129 12.853 -2.357 1.00 0.00 N ATOM 1122 CD2 HIS A 64 28.271 13.815 -0.404 1.00 0.00 C ATOM 1123 CE1 HIS A 64 29.399 13.202 -2.148 1.00 0.00 C ATOM 1124 NE2 HIS A 64 29.543 13.795 -0.973 1.00 0.00 N ATOM 1125 OXT HIS A 64 23.655 15.630 -0.358 1.00 0.00 O ATOM 0 H HIS A 64 26.028 14.795 -3.065 1.00 0.00 H new ATOM 0 HA HIS A 64 23.926 13.476 -1.504 1.00 0.00 H new ATOM 0 HB2 HIS A 64 25.734 12.744 -0.018 1.00 0.00 H new ATOM 0 HB3 HIS A 64 25.699 11.995 -1.603 1.00 0.00 H new ATOM 0 HD2 HIS A 64 28.025 14.232 0.561 1.00 0.00 H new ATOM 0 HE1 HIS A 64 30.204 13.024 -2.845 1.00 0.00 H new ATOM 0 HE2 HIS A 64 30.405 14.161 -0.569 1.00 0.00 H new TER 1133 HIS A 64