USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=16 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 62 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Set 1.2: A 63 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Set 2.1: A 61 HIS : no HD1:sc= 0.0738 K(o=0.14,f=-0.85) USER MOD Set 2.2: A 64 HIS : no HD1:sc= 0.068 X(o=0.14,f=-0.14) USER MOD Single : A 1 MET CE :methyl -162:sc= -0.0875 (180deg=-0.526) USER MOD Single : A 1 MET N :NH3+ -178:sc= 2.5 (180deg=2.46) USER MOD Single : A 2 ASN : amide:sc= -1.84! C(o=-1.8!,f=-11!) 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= -1.64 K(o=-1.6,f=0) USER MOD Single : A 13 LYS NZ :NH3+ -176:sc= 2.13 (180deg=1.94) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 180:sc= -0.132 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 HIS : no HE2:sc= -2.84! K(o=-2.8!,f=-1.1) USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -0.223 X(o=-0.22,f=-0.68) USER MOD Single : A 43 ASN : amide:sc= -0.566 K(o=-0.57,f=0) USER MOD Single : A 49 LYS NZ :NH3+ -115:sc= 0.231 (180deg=-0.653) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ -177:sc= 1.27 (180deg=1.17) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ -107:sc= -0.551 (180deg=-2.65!) 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 HD1:sc= -0.0386 X(o=-0.039,f=-0.043) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.585 -8.141 1.502 1.00 0.00 N ATOM 2 CA MET A 1 11.458 -8.490 0.667 1.00 0.00 C ATOM 3 C MET A 1 11.577 -7.772 -0.649 1.00 0.00 C ATOM 4 O MET A 1 12.010 -6.624 -0.698 1.00 0.00 O ATOM 5 CB MET A 1 10.104 -8.164 1.354 1.00 0.00 C ATOM 6 CG MET A 1 9.897 -6.691 1.715 1.00 0.00 C ATOM 7 SD MET A 1 8.299 -6.357 2.485 1.00 0.00 S ATOM 8 CE MET A 1 7.190 -6.755 1.127 1.00 0.00 C ATOM 0 H1 MET A 1 12.526 -8.661 2.401 1.00 0.00 H new ATOM 0 H2 MET A 1 13.469 -8.392 1.015 1.00 0.00 H new ATOM 0 H3 MET A 1 12.573 -7.119 1.692 1.00 0.00 H new ATOM 0 HA MET A 1 11.473 -9.567 0.499 1.00 0.00 H new ATOM 0 HB2 MET A 1 9.295 -8.477 0.694 1.00 0.00 H new ATOM 0 HB3 MET A 1 10.023 -8.760 2.263 1.00 0.00 H new ATOM 0 HG2 MET A 1 10.691 -6.376 2.392 1.00 0.00 H new ATOM 0 HG3 MET A 1 9.990 -6.087 0.812 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.212 -6.310 1.313 1.00 0.00 H new ATOM 0 HE2 MET A 1 7.597 -6.359 0.197 1.00 0.00 H new ATOM 0 HE3 MET A 1 7.087 -7.837 1.047 1.00 0.00 H new ATOM 20 N ASN A 2 11.227 -8.460 -1.704 1.00 0.00 N ATOM 21 CA ASN A 2 11.283 -7.926 -3.049 1.00 0.00 C ATOM 22 C ASN A 2 10.195 -6.870 -3.207 1.00 0.00 C ATOM 23 O ASN A 2 9.068 -7.050 -2.729 1.00 0.00 O ATOM 24 CB ASN A 2 11.101 -9.084 -4.057 1.00 0.00 C ATOM 25 CG ASN A 2 11.229 -8.707 -5.541 1.00 0.00 C ATOM 26 OD1 ASN A 2 10.898 -7.603 -5.966 1.00 0.00 O ATOM 27 ND2 ASN A 2 11.702 -9.632 -6.327 1.00 0.00 N ATOM 0 H ASN A 2 10.889 -9.421 -1.658 1.00 0.00 H new ATOM 0 HA ASN A 2 12.247 -7.455 -3.241 1.00 0.00 H new ATOM 0 HB2 ASN A 2 11.838 -9.855 -3.833 1.00 0.00 H new ATOM 0 HB3 ASN A 2 10.118 -9.528 -3.898 1.00 0.00 H new ATOM 0 HD21 ASN A 2 11.806 -9.449 -7.325 1.00 0.00 H new ATOM 0 HD22 ASN A 2 11.968 -10.539 -5.944 1.00 0.00 H new ATOM 34 N VAL A 3 10.526 -5.794 -3.874 1.00 0.00 N ATOM 35 CA VAL A 3 9.630 -4.661 -4.047 1.00 0.00 C ATOM 36 C VAL A 3 8.343 -5.018 -4.813 1.00 0.00 C ATOM 37 O VAL A 3 7.294 -4.395 -4.596 1.00 0.00 O ATOM 38 CB VAL A 3 10.344 -3.459 -4.700 1.00 0.00 C ATOM 39 CG1 VAL A 3 11.490 -2.993 -3.813 1.00 0.00 C ATOM 40 CG2 VAL A 3 10.860 -3.805 -6.089 1.00 0.00 C ATOM 0 H VAL A 3 11.435 -5.671 -4.321 1.00 0.00 H new ATOM 0 HA VAL A 3 9.326 -4.370 -3.042 1.00 0.00 H new ATOM 0 HB VAL A 3 9.619 -2.652 -4.807 1.00 0.00 H new ATOM 0 HG11 VAL A 3 11.990 -2.144 -4.280 1.00 0.00 H new ATOM 0 HG12 VAL A 3 11.099 -2.694 -2.841 1.00 0.00 H new ATOM 0 HG13 VAL A 3 12.203 -3.807 -3.682 1.00 0.00 H new ATOM 0 HG21 VAL A 3 11.357 -2.936 -6.519 1.00 0.00 H new ATOM 0 HG22 VAL A 3 11.568 -4.630 -6.019 1.00 0.00 H new ATOM 0 HG23 VAL A 3 10.025 -4.097 -6.725 1.00 0.00 H new ATOM 50 N THR A 4 8.400 -6.051 -5.662 1.00 0.00 N ATOM 51 CA THR A 4 7.215 -6.492 -6.388 1.00 0.00 C ATOM 52 C THR A 4 6.165 -7.034 -5.397 1.00 0.00 C ATOM 53 O THR A 4 4.968 -6.955 -5.631 1.00 0.00 O ATOM 54 CB THR A 4 7.537 -7.549 -7.510 1.00 0.00 C ATOM 55 OG1 THR A 4 6.367 -7.810 -8.303 1.00 0.00 O ATOM 56 CG2 THR A 4 8.020 -8.866 -6.924 1.00 0.00 C ATOM 0 H THR A 4 9.245 -6.588 -5.858 1.00 0.00 H new ATOM 0 HA THR A 4 6.809 -5.622 -6.905 1.00 0.00 H new ATOM 0 HB THR A 4 8.329 -7.124 -8.127 1.00 0.00 H new ATOM 0 HG1 THR A 4 6.582 -8.467 -8.997 1.00 0.00 H new ATOM 0 HG21 THR A 4 8.231 -9.568 -7.731 1.00 0.00 H new ATOM 0 HG22 THR A 4 8.927 -8.695 -6.345 1.00 0.00 H new ATOM 0 HG23 THR A 4 7.248 -9.281 -6.276 1.00 0.00 H new ATOM 64 N LYS A 5 6.635 -7.523 -4.261 1.00 0.00 N ATOM 65 CA LYS A 5 5.762 -8.066 -3.239 1.00 0.00 C ATOM 66 C LYS A 5 5.069 -6.948 -2.471 1.00 0.00 C ATOM 67 O LYS A 5 3.966 -7.119 -1.977 1.00 0.00 O ATOM 68 CB LYS A 5 6.521 -9.010 -2.312 1.00 0.00 C ATOM 69 CG LYS A 5 7.130 -10.207 -3.037 1.00 0.00 C ATOM 70 CD LYS A 5 6.060 -11.102 -3.647 1.00 0.00 C ATOM 71 CE LYS A 5 6.674 -12.259 -4.416 1.00 0.00 C ATOM 72 NZ LYS A 5 5.649 -13.189 -4.919 1.00 0.00 N ATOM 0 H LYS A 5 7.627 -7.554 -4.024 1.00 0.00 H new ATOM 0 HA LYS A 5 4.986 -8.655 -3.728 1.00 0.00 H new ATOM 0 HB2 LYS A 5 7.314 -8.456 -1.810 1.00 0.00 H new ATOM 0 HB3 LYS A 5 5.844 -9.369 -1.537 1.00 0.00 H new ATOM 0 HG2 LYS A 5 7.800 -9.855 -3.821 1.00 0.00 H new ATOM 0 HG3 LYS A 5 7.734 -10.786 -2.339 1.00 0.00 H new ATOM 0 HD2 LYS A 5 5.415 -11.489 -2.858 1.00 0.00 H new ATOM 0 HD3 LYS A 5 5.429 -10.514 -4.314 1.00 0.00 H new ATOM 0 HE2 LYS A 5 7.255 -11.871 -5.253 1.00 0.00 H new ATOM 0 HE3 LYS A 5 7.367 -12.797 -3.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 6.108 -13.964 -5.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 5.111 -13.579 -4.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 5.002 -12.681 -5.556 1.00 0.00 H new ATOM 86 N LEU A 6 5.712 -5.790 -2.395 1.00 0.00 N ATOM 87 CA LEU A 6 5.095 -4.633 -1.762 1.00 0.00 C ATOM 88 C LEU A 6 3.981 -4.138 -2.681 1.00 0.00 C ATOM 89 O LEU A 6 2.902 -3.751 -2.239 1.00 0.00 O ATOM 90 CB LEU A 6 6.125 -3.521 -1.531 1.00 0.00 C ATOM 91 CG LEU A 6 5.657 -2.310 -0.700 1.00 0.00 C ATOM 92 CD1 LEU A 6 5.275 -2.739 0.711 1.00 0.00 C ATOM 93 CD2 LEU A 6 6.746 -1.250 -0.659 1.00 0.00 C ATOM 0 H LEU A 6 6.651 -5.628 -2.760 1.00 0.00 H new ATOM 0 HA LEU A 6 4.693 -4.913 -0.788 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.993 -3.958 -1.038 1.00 0.00 H new ATOM 0 HB3 LEU A 6 6.459 -3.159 -2.503 1.00 0.00 H new ATOM 0 HG LEU A 6 4.773 -1.885 -1.176 1.00 0.00 H new ATOM 0 HD11 LEU A 6 4.948 -1.869 1.280 1.00 0.00 H new ATOM 0 HD12 LEU A 6 4.465 -3.467 0.663 1.00 0.00 H new ATOM 0 HD13 LEU A 6 6.139 -3.189 1.201 1.00 0.00 H new ATOM 0 HD21 LEU A 6 6.404 -0.400 -0.069 1.00 0.00 H new ATOM 0 HD22 LEU A 6 7.644 -1.669 -0.205 1.00 0.00 H new ATOM 0 HD23 LEU A 6 6.972 -0.921 -1.673 1.00 0.00 H new ATOM 105 N ASN A 7 4.251 -4.199 -3.977 1.00 0.00 N ATOM 106 CA ASN A 7 3.282 -3.851 -5.005 1.00 0.00 C ATOM 107 C ASN A 7 2.137 -4.889 -5.012 1.00 0.00 C ATOM 108 O ASN A 7 0.976 -4.566 -5.301 1.00 0.00 O ATOM 109 CB ASN A 7 3.978 -3.765 -6.382 1.00 0.00 C ATOM 110 CG ASN A 7 3.081 -3.279 -7.527 1.00 0.00 C ATOM 111 OD1 ASN A 7 3.269 -3.668 -8.679 1.00 0.00 O ATOM 112 ND2 ASN A 7 2.148 -2.395 -7.242 1.00 0.00 N ATOM 0 H ASN A 7 5.155 -4.493 -4.347 1.00 0.00 H new ATOM 0 HA ASN A 7 2.852 -2.873 -4.789 1.00 0.00 H new ATOM 0 HB2 ASN A 7 4.833 -3.094 -6.300 1.00 0.00 H new ATOM 0 HB3 ASN A 7 4.368 -4.750 -6.638 1.00 0.00 H new ATOM 0 HD21 ASN A 7 1.561 -2.016 -7.985 1.00 0.00 H new ATOM 0 HD22 ASN A 7 2.013 -2.089 -6.278 1.00 0.00 H new ATOM 119 N ASP A 8 2.476 -6.122 -4.665 1.00 0.00 N ATOM 120 CA ASP A 8 1.503 -7.217 -4.538 1.00 0.00 C ATOM 121 C ASP A 8 0.575 -6.956 -3.356 1.00 0.00 C ATOM 122 O ASP A 8 -0.629 -7.205 -3.434 1.00 0.00 O ATOM 123 CB ASP A 8 2.223 -8.561 -4.355 1.00 0.00 C ATOM 124 CG ASP A 8 1.280 -9.747 -4.280 1.00 0.00 C ATOM 125 OD1 ASP A 8 0.962 -10.332 -5.342 1.00 0.00 O ATOM 126 OD2 ASP A 8 0.880 -10.144 -3.175 1.00 0.00 O ATOM 0 H ASP A 8 3.436 -6.401 -4.461 1.00 0.00 H new ATOM 0 HA ASP A 8 0.912 -7.263 -5.453 1.00 0.00 H new ATOM 0 HB2 ASP A 8 2.915 -8.709 -5.184 1.00 0.00 H new ATOM 0 HB3 ASP A 8 2.820 -8.523 -3.444 1.00 0.00 H new ATOM 131 N ARG A 9 1.143 -6.416 -2.266 1.00 0.00 N ATOM 132 CA ARG A 9 0.358 -6.020 -1.085 1.00 0.00 C ATOM 133 C ARG A 9 -0.685 -4.985 -1.477 1.00 0.00 C ATOM 134 O ARG A 9 -1.818 -5.005 -0.976 1.00 0.00 O ATOM 135 CB ARG A 9 1.244 -5.429 0.018 1.00 0.00 C ATOM 136 CG ARG A 9 2.242 -6.377 0.654 1.00 0.00 C ATOM 137 CD ARG A 9 1.558 -7.544 1.345 1.00 0.00 C ATOM 138 NE ARG A 9 2.504 -8.304 2.160 1.00 0.00 N ATOM 139 CZ ARG A 9 2.196 -9.337 2.956 1.00 0.00 C ATOM 140 NH1 ARG A 9 0.949 -9.827 2.988 1.00 0.00 N ATOM 141 NH2 ARG A 9 3.147 -9.878 3.717 1.00 0.00 N ATOM 0 H ARG A 9 2.144 -6.243 -2.178 1.00 0.00 H new ATOM 0 HA ARG A 9 -0.122 -6.920 -0.701 1.00 0.00 H new ATOM 0 HB2 ARG A 9 1.792 -4.584 -0.399 1.00 0.00 H new ATOM 0 HB3 ARG A 9 0.598 -5.035 0.802 1.00 0.00 H new ATOM 0 HG2 ARG A 9 2.920 -6.756 -0.111 1.00 0.00 H new ATOM 0 HG3 ARG A 9 2.849 -5.833 1.377 1.00 0.00 H new ATOM 0 HD2 ARG A 9 0.748 -7.174 1.973 1.00 0.00 H new ATOM 0 HD3 ARG A 9 1.109 -8.199 0.599 1.00 0.00 H new ATOM 0 HE ARG A 9 3.484 -8.024 2.119 1.00 0.00 H new ATOM 0 HH11 ARG A 9 0.223 -9.413 2.403 1.00 0.00 H new ATOM 0 HH12 ARG A 9 0.726 -10.614 3.598 1.00 0.00 H new ATOM 0 HH21 ARG A 9 4.096 -9.505 3.689 1.00 0.00 H new ATOM 0 HH22 ARG A 9 2.926 -10.665 4.327 1.00 0.00 H new ATOM 155 N ILE A 10 -0.285 -4.083 -2.368 1.00 0.00 N ATOM 156 CA ILE A 10 -1.168 -3.065 -2.910 1.00 0.00 C ATOM 157 C ILE A 10 -2.294 -3.738 -3.671 1.00 0.00 C ATOM 158 O ILE A 10 -3.455 -3.478 -3.403 1.00 0.00 O ATOM 159 CB ILE A 10 -0.408 -2.100 -3.866 1.00 0.00 C ATOM 160 CG1 ILE A 10 0.723 -1.407 -3.112 1.00 0.00 C ATOM 161 CG2 ILE A 10 -1.361 -1.063 -4.491 1.00 0.00 C ATOM 162 CD1 ILE A 10 1.606 -0.544 -3.973 1.00 0.00 C ATOM 0 H ILE A 10 0.666 -4.041 -2.734 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.563 -2.479 -2.080 1.00 0.00 H new ATOM 0 HB ILE A 10 0.016 -2.688 -4.680 1.00 0.00 H new ATOM 0 HG12 ILE A 10 0.293 -0.792 -2.322 1.00 0.00 H new ATOM 0 HG13 ILE A 10 1.338 -2.165 -2.627 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -0.799 -0.405 -5.153 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -2.134 -1.577 -5.062 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -1.825 -0.473 -3.701 1.00 0.00 H new ATOM 0 HD11 ILE A 10 2.383 -0.090 -3.358 1.00 0.00 H new ATOM 0 HD12 ILE A 10 2.068 -1.156 -4.748 1.00 0.00 H new ATOM 0 HD13 ILE A 10 1.007 0.239 -4.438 1.00 0.00 H new ATOM 174 N GLU A 11 -1.927 -4.651 -4.569 1.00 0.00 N ATOM 175 CA GLU A 11 -2.882 -5.372 -5.415 1.00 0.00 C ATOM 176 C GLU A 11 -3.950 -6.047 -4.585 1.00 0.00 C ATOM 177 O GLU A 11 -5.148 -5.865 -4.830 1.00 0.00 O ATOM 178 CB GLU A 11 -2.169 -6.410 -6.271 1.00 0.00 C ATOM 179 CG GLU A 11 -3.100 -7.182 -7.189 1.00 0.00 C ATOM 180 CD GLU A 11 -2.370 -8.128 -8.080 1.00 0.00 C ATOM 181 OE1 GLU A 11 -2.090 -9.273 -7.667 1.00 0.00 O ATOM 182 OE2 GLU A 11 -2.062 -7.755 -9.227 1.00 0.00 O ATOM 0 H GLU A 11 -0.955 -4.914 -4.732 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.359 -4.639 -6.065 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -1.409 -5.912 -6.873 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -1.650 -7.112 -5.619 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -3.820 -7.737 -6.587 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -3.668 -6.480 -7.799 1.00 0.00 H new ATOM 189 N ALA A 12 -3.513 -6.782 -3.582 1.00 0.00 N ATOM 190 CA ALA A 12 -4.407 -7.490 -2.691 1.00 0.00 C ATOM 191 C ALA A 12 -5.366 -6.527 -1.992 1.00 0.00 C ATOM 192 O ALA A 12 -6.544 -6.844 -1.771 1.00 0.00 O ATOM 193 CB ALA A 12 -3.603 -8.281 -1.674 1.00 0.00 C ATOM 0 H ALA A 12 -2.525 -6.905 -3.362 1.00 0.00 H new ATOM 0 HA ALA A 12 -5.007 -8.182 -3.282 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -4.282 -8.811 -1.006 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -2.968 -9.000 -2.192 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -2.981 -7.600 -1.093 1.00 0.00 H new ATOM 199 N LYS A 13 -4.876 -5.341 -1.687 1.00 0.00 N ATOM 200 CA LYS A 13 -5.673 -4.347 -1.013 1.00 0.00 C ATOM 201 C LYS A 13 -6.642 -3.666 -1.982 1.00 0.00 C ATOM 202 O LYS A 13 -7.722 -3.255 -1.599 1.00 0.00 O ATOM 203 CB LYS A 13 -4.808 -3.351 -0.231 1.00 0.00 C ATOM 204 CG LYS A 13 -5.612 -2.305 0.543 1.00 0.00 C ATOM 205 CD LYS A 13 -4.742 -1.517 1.503 1.00 0.00 C ATOM 206 CE LYS A 13 -4.274 -2.375 2.673 1.00 0.00 C ATOM 207 NZ LYS A 13 -5.402 -2.834 3.525 1.00 0.00 N ATOM 0 H LYS A 13 -3.923 -5.046 -1.899 1.00 0.00 H new ATOM 0 HA LYS A 13 -6.283 -4.858 -0.268 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.179 -3.902 0.468 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -4.141 -2.841 -0.926 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -6.088 -1.621 -0.159 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -6.410 -2.799 1.098 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -3.876 -1.124 0.970 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -5.300 -0.660 1.880 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -3.734 -3.242 2.292 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -3.572 -1.804 3.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -5.029 -3.356 4.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -5.944 -2.011 3.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -6.024 -3.457 2.971 1.00 0.00 H new ATOM 221 N LYS A 14 -6.247 -3.561 -3.237 1.00 0.00 N ATOM 222 CA LYS A 14 -7.109 -2.997 -4.273 1.00 0.00 C ATOM 223 C LYS A 14 -8.352 -3.864 -4.424 1.00 0.00 C ATOM 224 O LYS A 14 -9.468 -3.359 -4.515 1.00 0.00 O ATOM 225 CB LYS A 14 -6.375 -2.929 -5.617 1.00 0.00 C ATOM 226 CG LYS A 14 -5.097 -2.115 -5.578 1.00 0.00 C ATOM 227 CD LYS A 14 -4.341 -2.164 -6.888 1.00 0.00 C ATOM 228 CE LYS A 14 -5.076 -1.417 -7.981 1.00 0.00 C ATOM 229 NZ LYS A 14 -4.361 -1.456 -9.267 1.00 0.00 N ATOM 0 H LYS A 14 -5.330 -3.859 -3.570 1.00 0.00 H new ATOM 0 HA LYS A 14 -7.389 -1.986 -3.977 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -6.139 -3.942 -5.943 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -7.044 -2.502 -6.364 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -5.337 -1.079 -5.339 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -4.457 -2.487 -4.778 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -3.350 -1.731 -6.754 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -4.198 -3.202 -7.188 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -6.069 -1.848 -8.107 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -5.216 -0.379 -7.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -4.904 -0.931 -9.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -3.423 -1.021 -9.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -4.250 -2.444 -9.573 1.00 0.00 H new ATOM 243 N LYS A 15 -8.141 -5.182 -4.409 1.00 0.00 N ATOM 244 CA LYS A 15 -9.236 -6.150 -4.532 1.00 0.00 C ATOM 245 C LYS A 15 -10.135 -6.024 -3.307 1.00 0.00 C ATOM 246 O LYS A 15 -11.377 -6.044 -3.405 1.00 0.00 O ATOM 247 CB LYS A 15 -8.693 -7.586 -4.583 1.00 0.00 C ATOM 248 CG LYS A 15 -7.482 -7.805 -5.490 1.00 0.00 C ATOM 249 CD LYS A 15 -7.717 -7.434 -6.949 1.00 0.00 C ATOM 250 CE LYS A 15 -8.766 -8.301 -7.614 1.00 0.00 C ATOM 251 NZ LYS A 15 -8.865 -8.015 -9.063 1.00 0.00 N ATOM 0 H LYS A 15 -7.218 -5.606 -4.313 1.00 0.00 H new ATOM 0 HA LYS A 15 -9.785 -5.943 -5.451 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -8.425 -7.890 -3.571 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -9.495 -8.247 -4.913 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -6.646 -7.219 -5.108 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -7.187 -8.853 -5.437 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -8.024 -6.390 -7.009 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -6.779 -7.522 -7.497 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -8.519 -9.352 -7.465 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -9.733 -8.131 -7.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -9.592 -8.625 -9.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -9.125 -7.018 -9.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -7.948 -8.201 -9.517 1.00 0.00 H new ATOM 265 N GLU A 16 -9.471 -5.883 -2.171 1.00 0.00 N ATOM 266 CA GLU A 16 -10.077 -5.708 -0.865 1.00 0.00 C ATOM 267 C GLU A 16 -10.980 -4.479 -0.856 1.00 0.00 C ATOM 268 O GLU A 16 -12.145 -4.559 -0.473 1.00 0.00 O ATOM 269 CB GLU A 16 -8.948 -5.554 0.157 1.00 0.00 C ATOM 270 CG GLU A 16 -9.364 -5.265 1.576 1.00 0.00 C ATOM 271 CD GLU A 16 -8.168 -5.139 2.482 1.00 0.00 C ATOM 272 OE1 GLU A 16 -7.696 -6.175 2.995 1.00 0.00 O ATOM 273 OE2 GLU A 16 -7.674 -4.012 2.717 1.00 0.00 O ATOM 0 H GLU A 16 -8.452 -5.888 -2.135 1.00 0.00 H new ATOM 0 HA GLU A 16 -10.695 -6.570 -0.616 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -8.357 -6.470 0.154 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -8.292 -4.750 -0.177 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -9.945 -4.343 1.606 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -10.013 -6.063 1.936 1.00 0.00 H new ATOM 280 N LEU A 17 -10.441 -3.360 -1.313 1.00 0.00 N ATOM 281 CA LEU A 17 -11.166 -2.112 -1.348 1.00 0.00 C ATOM 282 C LEU A 17 -12.413 -2.215 -2.217 1.00 0.00 C ATOM 283 O LEU A 17 -13.462 -1.721 -1.835 1.00 0.00 O ATOM 284 CB LEU A 17 -10.264 -0.956 -1.801 1.00 0.00 C ATOM 285 CG LEU A 17 -10.919 0.436 -1.866 1.00 0.00 C ATOM 286 CD1 LEU A 17 -11.495 0.834 -0.518 1.00 0.00 C ATOM 287 CD2 LEU A 17 -9.914 1.468 -2.317 1.00 0.00 C ATOM 0 H LEU A 17 -9.487 -3.297 -1.669 1.00 0.00 H new ATOM 0 HA LEU A 17 -11.494 -1.896 -0.331 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -9.412 -0.902 -1.124 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -9.871 -1.196 -2.789 1.00 0.00 H new ATOM 0 HG LEU A 17 -11.734 0.388 -2.588 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -11.951 1.821 -0.594 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -12.250 0.108 -0.216 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -10.698 0.859 0.225 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -10.391 2.447 -2.358 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -9.083 1.499 -1.612 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -9.541 1.204 -3.307 1.00 0.00 H new ATOM 299 N ILE A 18 -12.305 -2.885 -3.363 1.00 0.00 N ATOM 300 CA ILE A 18 -13.467 -3.076 -4.242 1.00 0.00 C ATOM 301 C ILE A 18 -14.569 -3.828 -3.483 1.00 0.00 C ATOM 302 O ILE A 18 -15.720 -3.396 -3.460 1.00 0.00 O ATOM 303 CB ILE A 18 -13.105 -3.838 -5.552 1.00 0.00 C ATOM 304 CG1 ILE A 18 -12.024 -3.071 -6.331 1.00 0.00 C ATOM 305 CG2 ILE A 18 -14.352 -4.022 -6.423 1.00 0.00 C ATOM 306 CD1 ILE A 18 -11.540 -3.768 -7.591 1.00 0.00 C ATOM 0 H ILE A 18 -11.439 -3.301 -3.705 1.00 0.00 H new ATOM 0 HA ILE A 18 -13.822 -2.088 -4.535 1.00 0.00 H new ATOM 0 HB ILE A 18 -12.716 -4.821 -5.286 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -12.416 -2.091 -6.601 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -11.171 -2.903 -5.674 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -14.084 -4.556 -7.335 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -15.098 -4.595 -5.873 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -14.762 -3.046 -6.682 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -10.779 -3.156 -8.076 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -11.114 -4.737 -7.330 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -12.379 -3.912 -8.272 1.00 0.00 H new ATOM 318 N TYR A 19 -14.173 -4.901 -2.802 1.00 0.00 N ATOM 319 CA TYR A 19 -15.082 -5.707 -1.989 1.00 0.00 C ATOM 320 C TYR A 19 -15.768 -4.840 -0.927 1.00 0.00 C ATOM 321 O TYR A 19 -16.992 -4.912 -0.730 1.00 0.00 O ATOM 322 CB TYR A 19 -14.299 -6.863 -1.319 1.00 0.00 C ATOM 323 CG TYR A 19 -15.067 -7.608 -0.241 1.00 0.00 C ATOM 324 CD1 TYR A 19 -16.012 -8.563 -0.566 1.00 0.00 C ATOM 325 CD2 TYR A 19 -14.842 -7.339 1.108 1.00 0.00 C ATOM 326 CE1 TYR A 19 -16.716 -9.225 0.415 1.00 0.00 C ATOM 327 CE2 TYR A 19 -15.541 -7.998 2.094 1.00 0.00 C ATOM 328 CZ TYR A 19 -16.475 -8.939 1.743 1.00 0.00 C ATOM 329 OH TYR A 19 -17.186 -9.595 2.723 1.00 0.00 O ATOM 0 H TYR A 19 -13.210 -5.237 -2.798 1.00 0.00 H new ATOM 0 HA TYR A 19 -15.853 -6.127 -2.635 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -13.998 -7.574 -2.089 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -13.385 -6.460 -0.882 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -16.201 -8.793 -1.604 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -14.105 -6.599 1.385 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -17.454 -9.966 0.146 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -15.356 -7.776 3.135 1.00 0.00 H new ATOM 0 HH TYR A 19 -16.896 -9.280 3.604 1.00 0.00 H new ATOM 339 N LEU A 20 -14.978 -4.021 -0.278 1.00 0.00 N ATOM 340 CA LEU A 20 -15.437 -3.152 0.781 1.00 0.00 C ATOM 341 C LEU A 20 -16.378 -2.055 0.274 1.00 0.00 C ATOM 342 O LEU A 20 -17.331 -1.694 0.968 1.00 0.00 O ATOM 343 CB LEU A 20 -14.239 -2.591 1.545 1.00 0.00 C ATOM 344 CG LEU A 20 -13.408 -3.646 2.296 1.00 0.00 C ATOM 345 CD1 LEU A 20 -12.127 -3.053 2.844 1.00 0.00 C ATOM 346 CD2 LEU A 20 -14.224 -4.262 3.423 1.00 0.00 C ATOM 0 H LEU A 20 -13.980 -3.937 -0.473 1.00 0.00 H new ATOM 0 HA LEU A 20 -16.036 -3.744 1.473 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -13.589 -2.068 0.843 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -14.596 -1.851 2.261 1.00 0.00 H new ATOM 0 HG LEU A 20 -13.141 -4.426 1.583 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -11.564 -3.825 3.369 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -11.527 -2.661 2.023 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -12.367 -2.245 3.536 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -13.621 -5.006 3.944 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -14.523 -3.482 4.124 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -15.113 -4.739 3.010 1.00 0.00 H new ATOM 358 N VAL A 21 -16.145 -1.551 -0.936 1.00 0.00 N ATOM 359 CA VAL A 21 -17.036 -0.541 -1.523 1.00 0.00 C ATOM 360 C VAL A 21 -18.394 -1.165 -1.809 1.00 0.00 C ATOM 361 O VAL A 21 -19.435 -0.549 -1.579 1.00 0.00 O ATOM 362 CB VAL A 21 -16.470 0.090 -2.832 1.00 0.00 C ATOM 363 CG1 VAL A 21 -17.445 1.109 -3.415 1.00 0.00 C ATOM 364 CG2 VAL A 21 -15.144 0.761 -2.566 1.00 0.00 C ATOM 0 H VAL A 21 -15.358 -1.819 -1.527 1.00 0.00 H new ATOM 0 HA VAL A 21 -17.125 0.264 -0.794 1.00 0.00 H new ATOM 0 HB VAL A 21 -16.329 -0.715 -3.553 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -17.025 1.534 -4.327 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -18.390 0.618 -3.645 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -17.616 1.905 -2.690 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -14.764 1.196 -3.491 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -15.277 1.547 -1.823 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -14.432 0.025 -2.192 1.00 0.00 H new ATOM 374 N GLU A 22 -18.374 -2.396 -2.274 1.00 0.00 N ATOM 375 CA GLU A 22 -19.591 -3.144 -2.553 1.00 0.00 C ATOM 376 C GLU A 22 -20.405 -3.347 -1.268 1.00 0.00 C ATOM 377 O GLU A 22 -21.633 -3.262 -1.271 1.00 0.00 O ATOM 378 CB GLU A 22 -19.246 -4.511 -3.143 1.00 0.00 C ATOM 379 CG GLU A 22 -18.451 -4.480 -4.440 1.00 0.00 C ATOM 380 CD GLU A 22 -19.161 -3.749 -5.531 1.00 0.00 C ATOM 381 OE1 GLU A 22 -20.125 -4.302 -6.095 1.00 0.00 O ATOM 382 OE2 GLU A 22 -18.786 -2.606 -5.847 1.00 0.00 O ATOM 0 H GLU A 22 -17.516 -2.910 -2.471 1.00 0.00 H new ATOM 0 HA GLU A 22 -20.183 -2.573 -3.269 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -18.679 -5.075 -2.402 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -20.173 -5.057 -3.318 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -17.486 -4.007 -4.259 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -18.250 -5.501 -4.763 1.00 0.00 H new ATOM 389 N LYS A 23 -19.703 -3.596 -0.178 1.00 0.00 N ATOM 390 CA LYS A 23 -20.327 -3.850 1.111 1.00 0.00 C ATOM 391 C LYS A 23 -20.798 -2.582 1.807 1.00 0.00 C ATOM 392 O LYS A 23 -21.928 -2.520 2.300 1.00 0.00 O ATOM 393 CB LYS A 23 -19.380 -4.624 2.031 1.00 0.00 C ATOM 394 CG LYS A 23 -19.126 -6.060 1.614 1.00 0.00 C ATOM 395 CD LYS A 23 -20.396 -6.890 1.708 1.00 0.00 C ATOM 396 CE LYS A 23 -20.144 -8.335 1.342 1.00 0.00 C ATOM 397 NZ LYS A 23 -21.352 -9.163 1.492 1.00 0.00 N ATOM 0 H LYS A 23 -18.684 -3.628 -0.159 1.00 0.00 H new ATOM 0 HA LYS A 23 -21.212 -4.452 0.904 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -18.426 -4.098 2.074 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -19.792 -4.620 3.040 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -18.747 -6.084 0.592 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -18.355 -6.496 2.250 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -20.793 -6.835 2.721 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -21.154 -6.473 1.045 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -19.792 -8.392 0.312 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -19.350 -8.735 1.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -21.134 -10.146 1.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -21.674 -9.131 2.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -22.102 -8.798 0.871 1.00 0.00 H new ATOM 411 N TYR A 24 -19.955 -1.585 1.859 1.00 0.00 N ATOM 412 CA TYR A 24 -20.282 -0.381 2.591 1.00 0.00 C ATOM 413 C TYR A 24 -21.012 0.666 1.767 1.00 0.00 C ATOM 414 O TYR A 24 -21.930 1.306 2.266 1.00 0.00 O ATOM 415 CB TYR A 24 -19.052 0.207 3.279 1.00 0.00 C ATOM 416 CG TYR A 24 -18.570 -0.599 4.461 1.00 0.00 C ATOM 417 CD1 TYR A 24 -19.281 -0.594 5.653 1.00 0.00 C ATOM 418 CD2 TYR A 24 -17.407 -1.352 4.395 1.00 0.00 C ATOM 419 CE1 TYR A 24 -18.851 -1.317 6.745 1.00 0.00 C ATOM 420 CE2 TYR A 24 -16.971 -2.081 5.486 1.00 0.00 C ATOM 421 CZ TYR A 24 -17.698 -2.060 6.657 1.00 0.00 C ATOM 422 OH TYR A 24 -17.268 -2.779 7.747 1.00 0.00 O ATOM 0 H TYR A 24 -19.040 -1.578 1.407 1.00 0.00 H new ATOM 0 HA TYR A 24 -20.990 -0.692 3.359 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -18.244 0.286 2.552 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -19.282 1.219 3.611 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -20.188 -0.013 5.726 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -16.834 -1.369 3.479 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -19.417 -1.300 7.665 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -16.065 -2.665 5.421 1.00 0.00 H new ATOM 0 HH TYR A 24 -16.439 -3.251 7.521 1.00 0.00 H new ATOM 432 N GLY A 25 -20.635 0.835 0.531 1.00 0.00 N ATOM 433 CA GLY A 25 -21.263 1.848 -0.278 1.00 0.00 C ATOM 434 C GLY A 25 -20.238 2.733 -0.941 1.00 0.00 C ATOM 435 O GLY A 25 -19.099 2.838 -0.459 1.00 0.00 O ATOM 0 H GLY A 25 -19.907 0.294 0.064 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -21.885 1.375 -1.038 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -21.923 2.454 0.342 1.00 0.00 H new ATOM 439 N PHE A 26 -20.614 3.354 -2.038 1.00 0.00 N ATOM 440 CA PHE A 26 -19.724 4.247 -2.758 1.00 0.00 C ATOM 441 C PHE A 26 -19.392 5.475 -1.938 1.00 0.00 C ATOM 442 O PHE A 26 -20.289 6.188 -1.473 1.00 0.00 O ATOM 443 CB PHE A 26 -20.306 4.677 -4.109 1.00 0.00 C ATOM 444 CG PHE A 26 -20.334 3.604 -5.154 1.00 0.00 C ATOM 445 CD1 PHE A 26 -19.229 3.389 -5.963 1.00 0.00 C ATOM 446 CD2 PHE A 26 -21.456 2.822 -5.341 1.00 0.00 C ATOM 447 CE1 PHE A 26 -19.244 2.412 -6.937 1.00 0.00 C ATOM 448 CE2 PHE A 26 -21.480 1.845 -6.314 1.00 0.00 C ATOM 449 CZ PHE A 26 -20.371 1.640 -7.113 1.00 0.00 C ATOM 0 H PHE A 26 -21.539 3.257 -2.456 1.00 0.00 H new ATOM 0 HA PHE A 26 -18.810 3.683 -2.943 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -21.323 5.038 -3.952 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -19.725 5.518 -4.488 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -18.345 3.994 -5.829 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -22.325 2.977 -4.718 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -18.375 2.253 -7.559 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -22.364 1.241 -6.452 1.00 0.00 H new ATOM 0 HZ PHE A 26 -20.388 0.875 -7.875 1.00 0.00 H new ATOM 459 N THR A 27 -18.097 5.682 -1.732 1.00 0.00 N ATOM 460 CA THR A 27 -17.566 6.847 -1.034 1.00 0.00 C ATOM 461 C THR A 27 -18.060 6.898 0.449 1.00 0.00 C ATOM 462 O THR A 27 -18.098 7.950 1.096 1.00 0.00 O ATOM 463 CB THR A 27 -17.941 8.128 -1.835 1.00 0.00 C ATOM 464 OG1 THR A 27 -17.605 7.904 -3.234 1.00 0.00 O ATOM 465 CG2 THR A 27 -17.149 9.344 -1.357 1.00 0.00 C ATOM 0 H THR A 27 -17.375 5.035 -2.050 1.00 0.00 H new ATOM 0 HA THR A 27 -16.479 6.780 -0.981 1.00 0.00 H new ATOM 0 HB THR A 27 -19.004 8.322 -1.692 1.00 0.00 H new ATOM 0 HG1 THR A 27 -17.835 8.700 -3.757 1.00 0.00 H new ATOM 0 HG21 THR A 27 -17.438 10.219 -1.940 1.00 0.00 H new ATOM 0 HG22 THR A 27 -17.360 9.524 -0.303 1.00 0.00 H new ATOM 0 HG23 THR A 27 -16.083 9.158 -1.487 1.00 0.00 H new ATOM 473 N HIS A 28 -18.399 5.736 0.983 1.00 0.00 N ATOM 474 CA HIS A 28 -18.800 5.626 2.369 1.00 0.00 C ATOM 475 C HIS A 28 -17.604 5.946 3.287 1.00 0.00 C ATOM 476 O HIS A 28 -16.447 5.768 2.893 1.00 0.00 O ATOM 477 CB HIS A 28 -19.402 4.222 2.652 1.00 0.00 C ATOM 478 CG HIS A 28 -19.729 3.941 4.097 1.00 0.00 C ATOM 479 ND1 HIS A 28 -20.812 4.455 4.764 1.00 0.00 N ATOM 480 CD2 HIS A 28 -19.048 3.215 5.007 1.00 0.00 C ATOM 481 CE1 HIS A 28 -20.756 4.038 6.029 1.00 0.00 C ATOM 482 NE2 HIS A 28 -19.692 3.278 6.227 1.00 0.00 N ATOM 0 H HIS A 28 -18.403 4.854 0.472 1.00 0.00 H new ATOM 0 HA HIS A 28 -19.582 6.355 2.581 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -20.312 4.109 2.062 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -18.699 3.466 2.302 1.00 0.00 H new ATOM 0 HD1 HIS A 28 -21.534 5.052 4.362 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -18.138 2.668 4.811 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -21.481 4.287 6.789 1.00 0.00 H new ATOM 490 N HIS A 29 -17.907 6.401 4.488 1.00 0.00 N ATOM 491 CA HIS A 29 -16.930 6.812 5.501 1.00 0.00 C ATOM 492 C HIS A 29 -15.810 5.767 5.694 1.00 0.00 C ATOM 493 O HIS A 29 -14.624 6.095 5.580 1.00 0.00 O ATOM 494 CB HIS A 29 -17.680 7.072 6.821 1.00 0.00 C ATOM 495 CG HIS A 29 -16.824 7.460 7.988 1.00 0.00 C ATOM 496 ND1 HIS A 29 -16.501 8.752 8.312 1.00 0.00 N ATOM 497 CD2 HIS A 29 -16.255 6.686 8.937 1.00 0.00 C ATOM 498 CE1 HIS A 29 -15.770 8.728 9.417 1.00 0.00 C ATOM 499 NE2 HIS A 29 -15.587 7.492 9.844 1.00 0.00 N ATOM 0 H HIS A 29 -18.871 6.501 4.805 1.00 0.00 H new ATOM 0 HA HIS A 29 -16.435 7.723 5.165 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -18.412 7.862 6.652 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -18.236 6.173 7.085 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -16.312 5.608 8.982 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -15.375 9.606 9.905 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -15.064 7.194 10.668 1.00 0.00 H new ATOM 507 N LYS A 30 -16.190 4.516 5.956 1.00 0.00 N ATOM 508 CA LYS A 30 -15.202 3.447 6.146 1.00 0.00 C ATOM 509 C LYS A 30 -14.380 3.256 4.877 1.00 0.00 C ATOM 510 O LYS A 30 -13.170 3.074 4.932 1.00 0.00 O ATOM 511 CB LYS A 30 -15.870 2.117 6.536 1.00 0.00 C ATOM 512 CG LYS A 30 -16.669 2.149 7.835 1.00 0.00 C ATOM 513 CD LYS A 30 -15.793 2.499 9.028 1.00 0.00 C ATOM 514 CE LYS A 30 -16.584 2.439 10.324 1.00 0.00 C ATOM 515 NZ LYS A 30 -15.769 2.837 11.490 1.00 0.00 N ATOM 0 H LYS A 30 -17.162 4.218 6.041 1.00 0.00 H new ATOM 0 HA LYS A 30 -14.547 3.749 6.963 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -16.534 1.811 5.727 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -15.098 1.352 6.621 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -17.474 2.879 7.749 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -17.135 1.178 7.999 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -14.951 1.809 9.080 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -15.378 3.498 8.898 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -17.453 3.093 10.249 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -16.959 1.427 10.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -16.347 2.782 12.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -14.954 2.198 11.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -15.432 3.812 11.361 1.00 0.00 H new ATOM 529 N VAL A 31 -15.050 3.372 3.739 1.00 0.00 N ATOM 530 CA VAL A 31 -14.436 3.207 2.425 1.00 0.00 C ATOM 531 C VAL A 31 -13.317 4.222 2.204 1.00 0.00 C ATOM 532 O VAL A 31 -12.235 3.870 1.733 1.00 0.00 O ATOM 533 CB VAL A 31 -15.499 3.307 1.296 1.00 0.00 C ATOM 534 CG1 VAL A 31 -14.855 3.303 -0.082 1.00 0.00 C ATOM 535 CG2 VAL A 31 -16.488 2.160 1.413 1.00 0.00 C ATOM 0 H VAL A 31 -16.047 3.586 3.700 1.00 0.00 H new ATOM 0 HA VAL A 31 -13.996 2.210 2.391 1.00 0.00 H new ATOM 0 HB VAL A 31 -16.025 4.254 1.414 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -15.629 3.374 -0.846 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -14.179 4.154 -0.170 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -14.294 2.378 -0.219 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -17.230 2.237 0.618 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -15.958 1.212 1.324 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -16.987 2.207 2.381 1.00 0.00 H new ATOM 545 N ILE A 32 -13.569 5.460 2.588 1.00 0.00 N ATOM 546 CA ILE A 32 -12.586 6.524 2.460 1.00 0.00 C ATOM 547 C ILE A 32 -11.337 6.194 3.298 1.00 0.00 C ATOM 548 O ILE A 32 -10.202 6.429 2.871 1.00 0.00 O ATOM 549 CB ILE A 32 -13.172 7.892 2.904 1.00 0.00 C ATOM 550 CG1 ILE A 32 -14.412 8.239 2.059 1.00 0.00 C ATOM 551 CG2 ILE A 32 -12.115 8.986 2.773 1.00 0.00 C ATOM 552 CD1 ILE A 32 -15.120 9.515 2.483 1.00 0.00 C ATOM 0 H ILE A 32 -14.456 5.757 2.996 1.00 0.00 H new ATOM 0 HA ILE A 32 -12.309 6.599 1.409 1.00 0.00 H new ATOM 0 HB ILE A 32 -13.472 7.823 3.949 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -14.111 8.334 1.016 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -15.118 7.410 2.113 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -12.538 9.940 3.087 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -11.260 8.743 3.404 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -11.792 9.057 1.735 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -15.981 9.685 1.837 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -15.455 9.419 3.516 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -14.433 10.357 2.401 1.00 0.00 H new ATOM 564 N SER A 33 -11.562 5.601 4.453 1.00 0.00 N ATOM 565 CA SER A 33 -10.496 5.224 5.348 1.00 0.00 C ATOM 566 C SER A 33 -9.676 4.067 4.729 1.00 0.00 C ATOM 567 O SER A 33 -8.442 4.052 4.816 1.00 0.00 O ATOM 568 CB SER A 33 -11.089 4.835 6.717 1.00 0.00 C ATOM 569 OG SER A 33 -10.088 4.687 7.726 1.00 0.00 O ATOM 0 H SER A 33 -12.494 5.368 4.795 1.00 0.00 H new ATOM 0 HA SER A 33 -9.820 6.065 5.499 1.00 0.00 H new ATOM 0 HB2 SER A 33 -11.804 5.596 7.029 1.00 0.00 H new ATOM 0 HB3 SER A 33 -11.641 3.900 6.618 1.00 0.00 H new ATOM 0 HG SER A 33 -10.513 4.442 8.575 1.00 0.00 H new ATOM 575 N PHE A 34 -10.358 3.130 4.063 1.00 0.00 N ATOM 576 CA PHE A 34 -9.676 2.007 3.399 1.00 0.00 C ATOM 577 C PHE A 34 -8.897 2.525 2.191 1.00 0.00 C ATOM 578 O PHE A 34 -7.838 1.997 1.835 1.00 0.00 O ATOM 579 CB PHE A 34 -10.665 0.939 2.914 1.00 0.00 C ATOM 580 CG PHE A 34 -11.625 0.409 3.936 1.00 0.00 C ATOM 581 CD1 PHE A 34 -11.219 0.093 5.220 1.00 0.00 C ATOM 582 CD2 PHE A 34 -12.946 0.208 3.590 1.00 0.00 C ATOM 583 CE1 PHE A 34 -12.121 -0.408 6.141 1.00 0.00 C ATOM 584 CE2 PHE A 34 -13.850 -0.291 4.503 1.00 0.00 C ATOM 585 CZ PHE A 34 -13.437 -0.597 5.780 1.00 0.00 C ATOM 0 H PHE A 34 -11.374 3.123 3.968 1.00 0.00 H new ATOM 0 HA PHE A 34 -9.008 1.554 4.131 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -11.241 1.356 2.088 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -10.094 0.101 2.514 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -10.188 0.239 5.506 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -13.276 0.445 2.589 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -11.794 -0.651 7.141 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -14.880 -0.442 4.217 1.00 0.00 H new ATOM 0 HZ PHE A 34 -14.144 -0.985 6.498 1.00 0.00 H new ATOM 595 N SER A 35 -9.437 3.561 1.571 1.00 0.00 N ATOM 596 CA SER A 35 -8.815 4.216 0.443 1.00 0.00 C ATOM 597 C SER A 35 -7.472 4.799 0.872 1.00 0.00 C ATOM 598 O SER A 35 -6.491 4.730 0.135 1.00 0.00 O ATOM 599 CB SER A 35 -9.755 5.312 -0.109 1.00 0.00 C ATOM 600 OG SER A 35 -9.197 5.998 -1.221 1.00 0.00 O ATOM 0 H SER A 35 -10.330 3.972 1.843 1.00 0.00 H new ATOM 0 HA SER A 35 -8.636 3.494 -0.354 1.00 0.00 H new ATOM 0 HB2 SER A 35 -10.702 4.859 -0.403 1.00 0.00 H new ATOM 0 HB3 SER A 35 -9.976 6.028 0.682 1.00 0.00 H new ATOM 0 HG SER A 35 -9.828 6.679 -1.535 1.00 0.00 H new ATOM 606 N GLN A 36 -7.422 5.325 2.090 1.00 0.00 N ATOM 607 CA GLN A 36 -6.195 5.884 2.624 1.00 0.00 C ATOM 608 C GLN A 36 -5.156 4.797 2.839 1.00 0.00 C ATOM 609 O GLN A 36 -3.976 5.028 2.638 1.00 0.00 O ATOM 610 CB GLN A 36 -6.457 6.669 3.910 1.00 0.00 C ATOM 611 CG GLN A 36 -7.473 7.773 3.708 1.00 0.00 C ATOM 612 CD GLN A 36 -7.068 8.749 2.618 1.00 0.00 C ATOM 613 OE1 GLN A 36 -5.888 9.028 2.409 1.00 0.00 O ATOM 614 NE2 GLN A 36 -8.026 9.224 1.889 1.00 0.00 N ATOM 0 H GLN A 36 -8.220 5.374 2.724 1.00 0.00 H new ATOM 0 HA GLN A 36 -5.797 6.586 1.891 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -6.812 5.988 4.684 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -5.522 7.099 4.268 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -8.437 7.332 3.455 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -7.606 8.315 4.644 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -8.993 8.972 2.091 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -7.814 9.851 1.113 1.00 0.00 H new ATOM 623 N GLU A 37 -5.612 3.601 3.208 1.00 0.00 N ATOM 624 CA GLU A 37 -4.718 2.459 3.372 1.00 0.00 C ATOM 625 C GLU A 37 -4.045 2.144 2.048 1.00 0.00 C ATOM 626 O GLU A 37 -2.830 1.986 1.978 1.00 0.00 O ATOM 627 CB GLU A 37 -5.477 1.221 3.819 1.00 0.00 C ATOM 628 CG GLU A 37 -6.105 1.288 5.184 1.00 0.00 C ATOM 629 CD GLU A 37 -6.845 0.016 5.489 1.00 0.00 C ATOM 630 OE1 GLU A 37 -6.252 -1.083 5.344 1.00 0.00 O ATOM 631 OE2 GLU A 37 -8.025 0.073 5.838 1.00 0.00 O ATOM 0 H GLU A 37 -6.594 3.399 3.398 1.00 0.00 H new ATOM 0 HA GLU A 37 -3.982 2.723 4.132 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -6.261 1.017 3.090 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -4.793 0.372 3.797 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -5.335 1.456 5.937 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -6.790 2.134 5.234 1.00 0.00 H new ATOM 638 N LEU A 38 -4.857 2.079 1.003 1.00 0.00 N ATOM 639 CA LEU A 38 -4.392 1.757 -0.334 1.00 0.00 C ATOM 640 C LEU A 38 -3.448 2.851 -0.821 1.00 0.00 C ATOM 641 O LEU A 38 -2.355 2.561 -1.328 1.00 0.00 O ATOM 642 CB LEU A 38 -5.616 1.559 -1.278 1.00 0.00 C ATOM 643 CG LEU A 38 -5.373 1.000 -2.708 1.00 0.00 C ATOM 644 CD1 LEU A 38 -4.743 2.022 -3.653 1.00 0.00 C ATOM 645 CD2 LEU A 38 -4.517 -0.252 -2.639 1.00 0.00 C ATOM 0 H LEU A 38 -5.861 2.249 1.061 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.832 0.822 -0.329 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -6.316 0.890 -0.776 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -6.114 2.523 -1.380 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.352 0.757 -3.122 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.599 1.570 -4.634 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.400 2.887 -3.744 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.779 2.340 -3.255 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.352 -0.636 -3.646 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.558 -0.012 -2.181 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -5.026 -1.008 -2.041 1.00 0.00 H new ATOM 657 N ASP A 39 -3.864 4.093 -0.629 1.00 0.00 N ATOM 658 CA ASP A 39 -3.071 5.260 -1.003 1.00 0.00 C ATOM 659 C ASP A 39 -1.708 5.219 -0.335 1.00 0.00 C ATOM 660 O ASP A 39 -0.677 5.297 -1.004 1.00 0.00 O ATOM 661 CB ASP A 39 -3.798 6.550 -0.610 1.00 0.00 C ATOM 662 CG ASP A 39 -3.004 7.798 -0.936 1.00 0.00 C ATOM 663 OD1 ASP A 39 -2.187 8.237 -0.101 1.00 0.00 O ATOM 664 OD2 ASP A 39 -3.201 8.374 -2.026 1.00 0.00 O ATOM 0 H ASP A 39 -4.764 4.324 -0.208 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.935 5.242 -2.084 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -4.758 6.591 -1.125 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -4.011 6.530 0.459 1.00 0.00 H new ATOM 669 N ARG A 40 -1.704 5.020 0.973 1.00 0.00 N ATOM 670 CA ARG A 40 -0.470 5.003 1.734 1.00 0.00 C ATOM 671 C ARG A 40 0.411 3.823 1.366 1.00 0.00 C ATOM 672 O ARG A 40 1.637 3.942 1.379 1.00 0.00 O ATOM 673 CB ARG A 40 -0.707 5.041 3.244 1.00 0.00 C ATOM 674 CG ARG A 40 -1.437 6.280 3.750 1.00 0.00 C ATOM 675 CD ARG A 40 -0.881 7.556 3.141 1.00 0.00 C ATOM 676 NE ARG A 40 -1.377 8.737 3.832 1.00 0.00 N ATOM 677 CZ ARG A 40 -1.891 9.832 3.265 1.00 0.00 C ATOM 678 NH1 ARG A 40 -2.210 9.858 1.965 1.00 0.00 N ATOM 679 NH2 ARG A 40 -2.127 10.892 4.018 1.00 0.00 N ATOM 0 H ARG A 40 -2.545 4.868 1.529 1.00 0.00 H new ATOM 0 HA ARG A 40 0.056 5.918 1.462 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -1.280 4.158 3.529 1.00 0.00 H new ATOM 0 HB3 ARG A 40 0.256 4.973 3.750 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -2.498 6.198 3.514 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -1.355 6.331 4.836 1.00 0.00 H new ATOM 0 HD2 ARG A 40 0.208 7.537 3.186 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -1.156 7.607 2.087 1.00 0.00 H new ATOM 0 HE ARG A 40 -1.327 8.728 4.851 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -2.062 9.031 1.387 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -2.601 10.705 1.553 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -1.917 10.866 5.016 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -2.519 11.736 3.601 1.00 0.00 H new ATOM 693 N LEU A 41 -0.208 2.706 1.024 1.00 0.00 N ATOM 694 CA LEU A 41 0.504 1.510 0.606 1.00 0.00 C ATOM 695 C LEU A 41 1.233 1.796 -0.722 1.00 0.00 C ATOM 696 O LEU A 41 2.394 1.427 -0.915 1.00 0.00 O ATOM 697 CB LEU A 41 -0.504 0.367 0.424 1.00 0.00 C ATOM 698 CG LEU A 41 -0.152 -0.994 1.039 1.00 0.00 C ATOM 699 CD1 LEU A 41 1.151 -1.546 0.494 1.00 0.00 C ATOM 700 CD2 LEU A 41 -0.113 -0.914 2.558 1.00 0.00 C ATOM 0 H LEU A 41 -1.223 2.603 1.028 1.00 0.00 H new ATOM 0 HA LEU A 41 1.237 1.223 1.360 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.457 0.689 0.844 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.659 0.223 -0.645 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.942 -1.688 0.752 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.360 -2.510 0.957 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.069 -1.672 -0.586 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.962 -0.853 0.718 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.139 -1.892 2.968 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.639 -0.188 2.865 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -1.089 -0.605 2.931 1.00 0.00 H new ATOM 712 N LEU A 42 0.547 2.495 -1.611 1.00 0.00 N ATOM 713 CA LEU A 42 1.108 2.880 -2.899 1.00 0.00 C ATOM 714 C LEU A 42 2.190 3.949 -2.668 1.00 0.00 C ATOM 715 O LEU A 42 3.224 3.968 -3.339 1.00 0.00 O ATOM 716 CB LEU A 42 -0.044 3.363 -3.825 1.00 0.00 C ATOM 717 CG LEU A 42 0.236 3.552 -5.338 1.00 0.00 C ATOM 718 CD1 LEU A 42 -1.080 3.688 -6.082 1.00 0.00 C ATOM 719 CD2 LEU A 42 1.079 4.786 -5.614 1.00 0.00 C ATOM 0 H LEU A 42 -0.411 2.811 -1.463 1.00 0.00 H new ATOM 0 HA LEU A 42 1.588 2.038 -3.398 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.864 2.651 -3.729 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -0.402 4.316 -3.435 1.00 0.00 H new ATOM 0 HG LEU A 42 0.789 2.677 -5.679 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.884 3.821 -7.146 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -1.677 2.788 -5.932 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -1.625 4.552 -5.702 1.00 0.00 H new ATOM 0 HD21 LEU A 42 1.250 4.878 -6.687 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.557 5.672 -5.253 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.036 4.695 -5.101 1.00 0.00 H new ATOM 731 N ASN A 43 1.967 4.809 -1.676 1.00 0.00 N ATOM 732 CA ASN A 43 2.962 5.823 -1.301 1.00 0.00 C ATOM 733 C ASN A 43 4.221 5.180 -0.745 1.00 0.00 C ATOM 734 O ASN A 43 5.315 5.718 -0.921 1.00 0.00 O ATOM 735 CB ASN A 43 2.431 6.889 -0.312 1.00 0.00 C ATOM 736 CG ASN A 43 1.536 7.971 -0.935 1.00 0.00 C ATOM 737 OD1 ASN A 43 1.560 9.130 -0.494 1.00 0.00 O ATOM 738 ND2 ASN A 43 0.740 7.629 -1.923 1.00 0.00 N ATOM 0 H ASN A 43 1.113 4.828 -1.118 1.00 0.00 H new ATOM 0 HA ASN A 43 3.198 6.348 -2.227 1.00 0.00 H new ATOM 0 HB2 ASN A 43 1.870 6.384 0.474 1.00 0.00 H new ATOM 0 HB3 ASN A 43 3.282 7.375 0.165 1.00 0.00 H new ATOM 0 HD21 ASN A 43 0.123 8.323 -2.345 1.00 0.00 H new ATOM 0 HD22 ASN A 43 0.739 6.669 -2.268 1.00 0.00 H new ATOM 745 N LEU A 44 4.066 4.024 -0.083 1.00 0.00 N ATOM 746 CA LEU A 44 5.208 3.254 0.423 1.00 0.00 C ATOM 747 C LEU A 44 6.051 2.801 -0.738 1.00 0.00 C ATOM 748 O LEU A 44 7.255 2.937 -0.718 1.00 0.00 O ATOM 749 CB LEU A 44 4.766 2.005 1.204 1.00 0.00 C ATOM 750 CG LEU A 44 4.008 2.208 2.510 1.00 0.00 C ATOM 751 CD1 LEU A 44 3.588 0.858 3.066 1.00 0.00 C ATOM 752 CD2 LEU A 44 4.873 2.943 3.524 1.00 0.00 C ATOM 0 H LEU A 44 3.158 3.602 0.114 1.00 0.00 H new ATOM 0 HA LEU A 44 5.767 3.905 1.096 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.140 1.403 0.545 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.657 1.416 1.423 1.00 0.00 H new ATOM 0 HG LEU A 44 3.123 2.813 2.314 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.046 1.002 4.000 1.00 0.00 H new ATOM 0 HD12 LEU A 44 2.944 0.353 2.347 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.473 0.249 3.250 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.313 3.078 4.450 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.772 2.361 3.725 1.00 0.00 H new ATOM 0 HD23 LEU A 44 5.154 3.917 3.124 1.00 0.00 H new ATOM 764 N LEU A 45 5.381 2.291 -1.761 1.00 0.00 N ATOM 765 CA LEU A 45 6.017 1.788 -2.975 1.00 0.00 C ATOM 766 C LEU A 45 6.872 2.879 -3.629 1.00 0.00 C ATOM 767 O LEU A 45 7.971 2.616 -4.124 1.00 0.00 O ATOM 768 CB LEU A 45 4.933 1.323 -3.948 1.00 0.00 C ATOM 769 CG LEU A 45 5.398 0.687 -5.253 1.00 0.00 C ATOM 770 CD1 LEU A 45 6.041 -0.669 -4.999 1.00 0.00 C ATOM 771 CD2 LEU A 45 4.237 0.576 -6.228 1.00 0.00 C ATOM 0 H LEU A 45 4.364 2.213 -1.773 1.00 0.00 H new ATOM 0 HA LEU A 45 6.668 0.953 -2.718 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.298 0.605 -3.429 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.308 2.182 -4.194 1.00 0.00 H new ATOM 0 HG LEU A 45 6.157 1.329 -5.701 1.00 0.00 H new ATOM 0 HD11 LEU A 45 6.364 -1.102 -5.946 1.00 0.00 H new ATOM 0 HD12 LEU A 45 6.903 -0.546 -4.343 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.317 -1.332 -4.525 1.00 0.00 H new ATOM 0 HD21 LEU A 45 4.583 0.120 -7.156 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.453 -0.042 -5.791 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.842 1.570 -6.438 1.00 0.00 H new ATOM 783 N ILE A 46 6.355 4.088 -3.627 1.00 0.00 N ATOM 784 CA ILE A 46 7.059 5.233 -4.172 1.00 0.00 C ATOM 785 C ILE A 46 8.214 5.647 -3.243 1.00 0.00 C ATOM 786 O ILE A 46 9.363 5.758 -3.675 1.00 0.00 O ATOM 787 CB ILE A 46 6.093 6.438 -4.362 1.00 0.00 C ATOM 788 CG1 ILE A 46 4.940 6.060 -5.303 1.00 0.00 C ATOM 789 CG2 ILE A 46 6.840 7.661 -4.897 1.00 0.00 C ATOM 790 CD1 ILE A 46 3.895 7.148 -5.461 1.00 0.00 C ATOM 0 H ILE A 46 5.434 4.307 -3.248 1.00 0.00 H new ATOM 0 HA ILE A 46 7.462 4.945 -5.143 1.00 0.00 H new ATOM 0 HB ILE A 46 5.678 6.694 -3.387 1.00 0.00 H new ATOM 0 HG12 ILE A 46 5.349 5.817 -6.284 1.00 0.00 H new ATOM 0 HG13 ILE A 46 4.457 5.158 -4.927 1.00 0.00 H new ATOM 0 HG21 ILE A 46 6.142 8.489 -5.021 1.00 0.00 H new ATOM 0 HG22 ILE A 46 7.621 7.947 -4.192 1.00 0.00 H new ATOM 0 HG23 ILE A 46 7.291 7.420 -5.860 1.00 0.00 H new ATOM 0 HD11 ILE A 46 3.114 6.806 -6.140 1.00 0.00 H new ATOM 0 HD12 ILE A 46 3.457 7.376 -4.489 1.00 0.00 H new ATOM 0 HD13 ILE A 46 4.362 8.045 -5.867 1.00 0.00 H new ATOM 802 N GLU A 47 7.901 5.806 -1.956 1.00 0.00 N ATOM 803 CA GLU A 47 8.858 6.310 -0.973 1.00 0.00 C ATOM 804 C GLU A 47 10.015 5.336 -0.783 1.00 0.00 C ATOM 805 O GLU A 47 11.144 5.747 -0.521 1.00 0.00 O ATOM 806 CB GLU A 47 8.175 6.575 0.377 1.00 0.00 C ATOM 807 CG GLU A 47 9.028 7.379 1.348 1.00 0.00 C ATOM 808 CD GLU A 47 8.398 7.548 2.706 1.00 0.00 C ATOM 809 OE1 GLU A 47 7.351 8.211 2.818 1.00 0.00 O ATOM 810 OE2 GLU A 47 8.975 7.061 3.699 1.00 0.00 O ATOM 0 H GLU A 47 6.982 5.590 -1.569 1.00 0.00 H new ATOM 0 HA GLU A 47 9.253 7.251 -1.357 1.00 0.00 H new ATOM 0 HB2 GLU A 47 7.240 7.107 0.203 1.00 0.00 H new ATOM 0 HB3 GLU A 47 7.918 5.621 0.837 1.00 0.00 H new ATOM 0 HG2 GLU A 47 9.994 6.887 1.463 1.00 0.00 H new ATOM 0 HG3 GLU A 47 9.220 8.363 0.921 1.00 0.00 H new ATOM 817 N LEU A 48 9.732 4.051 -0.929 1.00 0.00 N ATOM 818 CA LEU A 48 10.729 3.004 -0.778 1.00 0.00 C ATOM 819 C LEU A 48 11.859 3.214 -1.778 1.00 0.00 C ATOM 820 O LEU A 48 13.027 3.066 -1.430 1.00 0.00 O ATOM 821 CB LEU A 48 10.069 1.598 -0.922 1.00 0.00 C ATOM 822 CG LEU A 48 10.915 0.337 -0.574 1.00 0.00 C ATOM 823 CD1 LEU A 48 11.955 0.009 -1.637 1.00 0.00 C ATOM 824 CD2 LEU A 48 11.585 0.503 0.790 1.00 0.00 C ATOM 0 H LEU A 48 8.800 3.704 -1.157 1.00 0.00 H new ATOM 0 HA LEU A 48 11.160 3.055 0.222 1.00 0.00 H new ATOM 0 HB2 LEU A 48 9.180 1.584 -0.292 1.00 0.00 H new ATOM 0 HB3 LEU A 48 9.731 1.495 -1.953 1.00 0.00 H new ATOM 0 HG LEU A 48 10.223 -0.504 -0.539 1.00 0.00 H new ATOM 0 HD11 LEU A 48 12.513 -0.879 -1.339 1.00 0.00 H new ATOM 0 HD12 LEU A 48 11.457 -0.178 -2.588 1.00 0.00 H new ATOM 0 HD13 LEU A 48 12.641 0.849 -1.746 1.00 0.00 H new ATOM 0 HD21 LEU A 48 12.172 -0.387 1.018 1.00 0.00 H new ATOM 0 HD22 LEU A 48 12.240 1.374 0.770 1.00 0.00 H new ATOM 0 HD23 LEU A 48 10.822 0.640 1.556 1.00 0.00 H new ATOM 836 N LYS A 49 11.504 3.620 -2.989 1.00 0.00 N ATOM 837 CA LYS A 49 12.482 3.856 -4.050 1.00 0.00 C ATOM 838 C LYS A 49 13.327 5.069 -3.725 1.00 0.00 C ATOM 839 O LYS A 49 14.501 5.150 -4.098 1.00 0.00 O ATOM 840 CB LYS A 49 11.780 4.067 -5.391 1.00 0.00 C ATOM 841 CG LYS A 49 10.968 2.883 -5.851 1.00 0.00 C ATOM 842 CD LYS A 49 10.299 3.151 -7.182 1.00 0.00 C ATOM 843 CE LYS A 49 9.524 1.939 -7.663 1.00 0.00 C ATOM 844 NZ LYS A 49 8.444 1.558 -6.732 1.00 0.00 N ATOM 0 H LYS A 49 10.538 3.795 -3.266 1.00 0.00 H new ATOM 0 HA LYS A 49 13.125 2.979 -4.121 1.00 0.00 H new ATOM 0 HB2 LYS A 49 11.126 4.935 -5.314 1.00 0.00 H new ATOM 0 HB3 LYS A 49 12.529 4.298 -6.149 1.00 0.00 H new ATOM 0 HG2 LYS A 49 11.614 2.009 -5.937 1.00 0.00 H new ATOM 0 HG3 LYS A 49 10.211 2.647 -5.103 1.00 0.00 H new ATOM 0 HD2 LYS A 49 9.625 4.002 -7.088 1.00 0.00 H new ATOM 0 HD3 LYS A 49 11.052 3.421 -7.922 1.00 0.00 H new ATOM 0 HE2 LYS A 49 9.098 2.149 -8.644 1.00 0.00 H new ATOM 0 HE3 LYS A 49 10.208 1.099 -7.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 8.649 0.622 -6.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 8.382 2.260 -5.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 7.540 1.523 -7.245 1.00 0.00 H new ATOM 858 N THR A 50 12.722 6.007 -3.042 1.00 0.00 N ATOM 859 CA THR A 50 13.382 7.211 -2.640 1.00 0.00 C ATOM 860 C THR A 50 14.406 6.907 -1.533 1.00 0.00 C ATOM 861 O THR A 50 15.560 7.363 -1.578 1.00 0.00 O ATOM 862 CB THR A 50 12.339 8.219 -2.112 1.00 0.00 C ATOM 863 OG1 THR A 50 11.250 8.322 -3.053 1.00 0.00 O ATOM 864 CG2 THR A 50 12.956 9.595 -1.912 1.00 0.00 C ATOM 0 H THR A 50 11.747 5.950 -2.749 1.00 0.00 H new ATOM 0 HA THR A 50 13.901 7.636 -3.499 1.00 0.00 H new ATOM 0 HB THR A 50 11.975 7.859 -1.150 1.00 0.00 H new ATOM 0 HG1 THR A 50 10.587 8.961 -2.717 1.00 0.00 H new ATOM 0 HG21 THR A 50 12.197 10.283 -1.540 1.00 0.00 H new ATOM 0 HG22 THR A 50 13.770 9.527 -1.190 1.00 0.00 H new ATOM 0 HG23 THR A 50 13.343 9.962 -2.863 1.00 0.00 H new ATOM 872 N LYS A 51 13.993 6.102 -0.571 1.00 0.00 N ATOM 873 CA LYS A 51 14.796 5.838 0.573 1.00 0.00 C ATOM 874 C LYS A 51 15.807 4.710 0.353 1.00 0.00 C ATOM 875 O LYS A 51 16.995 4.963 0.463 1.00 0.00 O ATOM 876 CB LYS A 51 13.902 5.627 1.819 1.00 0.00 C ATOM 877 CG LYS A 51 12.990 4.406 1.799 1.00 0.00 C ATOM 878 CD LYS A 51 11.719 4.636 2.614 1.00 0.00 C ATOM 879 CE LYS A 51 11.999 5.113 4.023 1.00 0.00 C ATOM 880 NZ LYS A 51 10.750 5.393 4.751 1.00 0.00 N ATOM 0 H LYS A 51 13.093 5.622 -0.575 1.00 0.00 H new ATOM 0 HA LYS A 51 15.412 6.718 0.756 1.00 0.00 H new ATOM 0 HB2 LYS A 51 14.547 5.557 2.695 1.00 0.00 H new ATOM 0 HB3 LYS A 51 13.282 6.514 1.949 1.00 0.00 H new ATOM 0 HG2 LYS A 51 12.724 4.168 0.769 1.00 0.00 H new ATOM 0 HG3 LYS A 51 13.526 3.545 2.197 1.00 0.00 H new ATOM 0 HD2 LYS A 51 11.095 5.371 2.105 1.00 0.00 H new ATOM 0 HD3 LYS A 51 11.148 3.708 2.657 1.00 0.00 H new ATOM 0 HE2 LYS A 51 12.573 4.356 4.558 1.00 0.00 H new ATOM 0 HE3 LYS A 51 12.613 6.013 3.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 10.975 5.766 5.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 10.192 6.095 4.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 10.200 4.515 4.847 1.00 0.00 H new ATOM 894 N LYS A 52 15.323 3.478 0.012 1.00 0.00 N ATOM 895 CA LYS A 52 16.108 2.182 -0.147 1.00 0.00 C ATOM 896 C LYS A 52 17.028 1.793 1.053 1.00 0.00 C ATOM 897 O LYS A 52 17.349 0.630 1.246 1.00 0.00 O ATOM 898 CB LYS A 52 16.841 2.057 -1.505 1.00 0.00 C ATOM 899 CG LYS A 52 17.920 3.082 -1.774 1.00 0.00 C ATOM 900 CD LYS A 52 18.627 2.795 -3.073 1.00 0.00 C ATOM 901 CE LYS A 52 19.710 3.814 -3.348 1.00 0.00 C ATOM 902 NZ LYS A 52 20.493 3.461 -4.542 1.00 0.00 N ATOM 0 H LYS A 52 14.329 3.339 -0.171 1.00 0.00 H new ATOM 0 HA LYS A 52 15.318 1.431 -0.141 1.00 0.00 H new ATOM 0 HB2 LYS A 52 17.288 1.065 -1.564 1.00 0.00 H new ATOM 0 HB3 LYS A 52 16.100 2.121 -2.302 1.00 0.00 H new ATOM 0 HG2 LYS A 52 17.479 4.078 -1.808 1.00 0.00 H new ATOM 0 HG3 LYS A 52 18.640 3.080 -0.956 1.00 0.00 H new ATOM 0 HD2 LYS A 52 19.064 1.797 -3.038 1.00 0.00 H new ATOM 0 HD3 LYS A 52 17.906 2.799 -3.890 1.00 0.00 H new ATOM 0 HE2 LYS A 52 19.259 4.797 -3.485 1.00 0.00 H new ATOM 0 HE3 LYS A 52 20.372 3.884 -2.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 21.227 4.181 -4.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 20.942 2.534 -4.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 19.864 3.418 -5.369 1.00 0.00 H new ATOM 916 N LYS A 53 17.405 2.771 1.832 1.00 0.00 N ATOM 917 CA LYS A 53 18.234 2.644 3.016 1.00 0.00 C ATOM 918 C LYS A 53 17.518 1.879 4.139 1.00 0.00 C ATOM 919 O LYS A 53 18.154 1.350 5.052 1.00 0.00 O ATOM 920 CB LYS A 53 18.645 4.049 3.473 1.00 0.00 C ATOM 921 CG LYS A 53 17.465 4.988 3.763 1.00 0.00 C ATOM 922 CD LYS A 53 17.889 6.441 4.067 1.00 0.00 C ATOM 923 CE LYS A 53 18.722 6.617 5.353 1.00 0.00 C ATOM 924 NZ LYS A 53 20.130 6.148 5.225 1.00 0.00 N ATOM 0 H LYS A 53 17.129 3.737 1.653 1.00 0.00 H new ATOM 0 HA LYS A 53 19.121 2.061 2.770 1.00 0.00 H new ATOM 0 HB2 LYS A 53 19.255 3.962 4.372 1.00 0.00 H new ATOM 0 HB3 LYS A 53 19.273 4.500 2.704 1.00 0.00 H new ATOM 0 HG2 LYS A 53 16.792 4.987 2.906 1.00 0.00 H new ATOM 0 HG3 LYS A 53 16.902 4.598 4.611 1.00 0.00 H new ATOM 0 HD2 LYS A 53 18.465 6.820 3.223 1.00 0.00 H new ATOM 0 HD3 LYS A 53 16.993 7.057 4.144 1.00 0.00 H new ATOM 0 HE2 LYS A 53 18.724 7.671 5.633 1.00 0.00 H new ATOM 0 HE3 LYS A 53 18.240 6.073 6.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 20.249 5.259 5.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 20.353 5.988 4.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 20.772 6.868 5.612 1.00 0.00 H new ATOM 938 N ARG A 54 16.199 1.850 4.083 1.00 0.00 N ATOM 939 CA ARG A 54 15.419 1.087 4.993 1.00 0.00 C ATOM 940 C ARG A 54 15.524 -0.356 4.530 1.00 0.00 C ATOM 941 O ARG A 54 15.294 -0.643 3.358 1.00 0.00 O ATOM 942 CB ARG A 54 13.983 1.613 4.946 1.00 0.00 C ATOM 943 CG ARG A 54 12.936 0.796 5.669 1.00 0.00 C ATOM 944 CD ARG A 54 13.139 0.728 7.187 1.00 0.00 C ATOM 945 NE ARG A 54 13.014 2.028 7.875 1.00 0.00 N ATOM 946 CZ ARG A 54 13.394 2.260 9.154 1.00 0.00 C ATOM 947 NH1 ARG A 54 13.945 1.295 9.874 1.00 0.00 N ATOM 948 NH2 ARG A 54 13.201 3.452 9.705 1.00 0.00 N ATOM 0 H ARG A 54 15.651 2.365 3.394 1.00 0.00 H new ATOM 0 HA ARG A 54 15.758 1.160 6.026 1.00 0.00 H new ATOM 0 HB2 ARG A 54 13.976 2.620 5.363 1.00 0.00 H new ATOM 0 HB3 ARG A 54 13.686 1.698 3.901 1.00 0.00 H new ATOM 0 HG2 ARG A 54 11.953 1.219 5.463 1.00 0.00 H new ATOM 0 HG3 ARG A 54 12.938 -0.217 5.266 1.00 0.00 H new ATOM 0 HD2 ARG A 54 12.411 0.035 7.609 1.00 0.00 H new ATOM 0 HD3 ARG A 54 14.127 0.315 7.392 1.00 0.00 H new ATOM 0 HE ARG A 54 12.614 2.806 7.351 1.00 0.00 H new ATOM 0 HH11 ARG A 54 14.085 0.371 9.466 1.00 0.00 H new ATOM 0 HH12 ARG A 54 14.229 1.476 10.837 1.00 0.00 H new ATOM 0 HH21 ARG A 54 12.764 4.199 9.165 1.00 0.00 H new ATOM 0 HH22 ARG A 54 13.489 3.621 10.669 1.00 0.00 H new ATOM 962 N TYR A 55 15.843 -1.244 5.446 1.00 0.00 N ATOM 963 CA TYR A 55 16.152 -2.675 5.150 1.00 0.00 C ATOM 964 C TYR A 55 14.944 -3.513 4.725 1.00 0.00 C ATOM 965 O TYR A 55 14.936 -4.728 4.874 1.00 0.00 O ATOM 966 CB TYR A 55 16.842 -3.334 6.336 1.00 0.00 C ATOM 967 CG TYR A 55 18.177 -2.734 6.674 1.00 0.00 C ATOM 968 CD1 TYR A 55 19.208 -2.727 5.752 1.00 0.00 C ATOM 969 CD2 TYR A 55 18.405 -2.182 7.913 1.00 0.00 C ATOM 970 CE1 TYR A 55 20.441 -2.178 6.064 1.00 0.00 C ATOM 971 CE2 TYR A 55 19.623 -1.635 8.240 1.00 0.00 C ATOM 972 CZ TYR A 55 20.639 -1.635 7.321 1.00 0.00 C ATOM 973 OH TYR A 55 21.869 -1.105 7.673 1.00 0.00 O ATOM 0 H TYR A 55 15.903 -1.016 6.438 1.00 0.00 H new ATOM 0 HA TYR A 55 16.820 -2.647 4.289 1.00 0.00 H new ATOM 0 HB2 TYR A 55 16.192 -3.263 7.208 1.00 0.00 H new ATOM 0 HB3 TYR A 55 16.975 -4.395 6.123 1.00 0.00 H new ATOM 0 HD1 TYR A 55 19.049 -3.156 4.774 1.00 0.00 H new ATOM 0 HD2 TYR A 55 17.610 -2.178 8.644 1.00 0.00 H new ATOM 0 HE1 TYR A 55 21.238 -2.174 5.335 1.00 0.00 H new ATOM 0 HE2 TYR A 55 19.779 -1.206 9.219 1.00 0.00 H new ATOM 0 HH TYR A 55 21.828 -0.766 8.592 1.00 0.00 H new ATOM 983 N SER A 56 14.009 -2.879 4.113 1.00 0.00 N ATOM 984 CA SER A 56 12.805 -3.503 3.620 1.00 0.00 C ATOM 985 C SER A 56 13.161 -4.400 2.446 1.00 0.00 C ATOM 986 O SER A 56 12.662 -5.525 2.326 1.00 0.00 O ATOM 987 CB SER A 56 11.823 -2.418 3.177 1.00 0.00 C ATOM 988 OG SER A 56 10.642 -2.966 2.627 1.00 0.00 O ATOM 0 H SER A 56 14.050 -1.877 3.929 1.00 0.00 H new ATOM 0 HA SER A 56 12.342 -4.103 4.403 1.00 0.00 H new ATOM 0 HB2 SER A 56 11.568 -1.789 4.030 1.00 0.00 H new ATOM 0 HB3 SER A 56 12.302 -1.775 2.439 1.00 0.00 H new ATOM 0 HG SER A 56 10.040 -2.241 2.358 1.00 0.00 H new ATOM 994 N LEU A 57 14.101 -3.921 1.634 1.00 0.00 N ATOM 995 CA LEU A 57 14.556 -4.614 0.436 1.00 0.00 C ATOM 996 C LEU A 57 15.156 -5.962 0.829 1.00 0.00 C ATOM 997 O LEU A 57 14.993 -6.970 0.142 1.00 0.00 O ATOM 998 CB LEU A 57 15.609 -3.768 -0.342 1.00 0.00 C ATOM 999 CG LEU A 57 15.183 -2.376 -0.910 1.00 0.00 C ATOM 1000 CD1 LEU A 57 14.915 -1.359 0.179 1.00 0.00 C ATOM 1001 CD2 LEU A 57 16.236 -1.851 -1.870 1.00 0.00 C ATOM 0 H LEU A 57 14.572 -3.030 1.793 1.00 0.00 H new ATOM 0 HA LEU A 57 13.700 -4.767 -0.221 1.00 0.00 H new ATOM 0 HB2 LEU A 57 16.459 -3.608 0.321 1.00 0.00 H new ATOM 0 HB3 LEU A 57 15.965 -4.371 -1.177 1.00 0.00 H new ATOM 0 HG LEU A 57 14.246 -2.526 -1.445 1.00 0.00 H new ATOM 0 HD11 LEU A 57 14.623 -0.411 -0.272 1.00 0.00 H new ATOM 0 HD12 LEU A 57 14.111 -1.718 0.822 1.00 0.00 H new ATOM 0 HD13 LEU A 57 15.818 -1.215 0.773 1.00 0.00 H new ATOM 0 HD21 LEU A 57 15.924 -0.881 -2.257 1.00 0.00 H new ATOM 0 HD22 LEU A 57 17.186 -1.745 -1.346 1.00 0.00 H new ATOM 0 HD23 LEU A 57 16.355 -2.550 -2.698 1.00 0.00 H new ATOM 1013 N LEU A 58 15.783 -5.978 1.981 1.00 0.00 N ATOM 1014 CA LEU A 58 16.395 -7.170 2.503 1.00 0.00 C ATOM 1015 C LEU A 58 15.387 -7.975 3.304 1.00 0.00 C ATOM 1016 O LEU A 58 14.997 -9.070 2.905 1.00 0.00 O ATOM 1017 CB LEU A 58 17.613 -6.851 3.400 1.00 0.00 C ATOM 1018 CG LEU A 58 18.895 -6.313 2.731 1.00 0.00 C ATOM 1019 CD1 LEU A 58 18.702 -4.931 2.129 1.00 0.00 C ATOM 1020 CD2 LEU A 58 20.025 -6.298 3.735 1.00 0.00 C ATOM 0 H LEU A 58 15.882 -5.160 2.583 1.00 0.00 H new ATOM 0 HA LEU A 58 16.741 -7.750 1.648 1.00 0.00 H new ATOM 0 HB2 LEU A 58 17.295 -6.121 4.144 1.00 0.00 H new ATOM 0 HB3 LEU A 58 17.876 -7.761 3.939 1.00 0.00 H new ATOM 0 HG LEU A 58 19.142 -6.983 1.907 1.00 0.00 H new ATOM 0 HD11 LEU A 58 19.634 -4.600 1.671 1.00 0.00 H new ATOM 0 HD12 LEU A 58 17.920 -4.970 1.371 1.00 0.00 H new ATOM 0 HD13 LEU A 58 18.413 -4.230 2.912 1.00 0.00 H new ATOM 0 HD21 LEU A 58 20.929 -5.918 3.260 1.00 0.00 H new ATOM 0 HD22 LEU A 58 19.758 -5.655 4.574 1.00 0.00 H new ATOM 0 HD23 LEU A 58 20.204 -7.311 4.097 1.00 0.00 H new ATOM 1032 N GLU A 59 14.908 -7.388 4.378 1.00 0.00 N ATOM 1033 CA GLU A 59 14.065 -8.075 5.323 1.00 0.00 C ATOM 1034 C GLU A 59 12.581 -7.938 5.005 1.00 0.00 C ATOM 1035 O GLU A 59 12.070 -8.592 4.101 1.00 0.00 O ATOM 1036 CB GLU A 59 14.375 -7.612 6.751 1.00 0.00 C ATOM 1037 CG GLU A 59 15.834 -7.753 7.131 1.00 0.00 C ATOM 1038 CD GLU A 59 16.110 -7.326 8.546 1.00 0.00 C ATOM 1039 OE1 GLU A 59 15.926 -8.148 9.469 1.00 0.00 O ATOM 1040 OE2 GLU A 59 16.537 -6.172 8.766 1.00 0.00 O ATOM 0 H GLU A 59 15.095 -6.415 4.619 1.00 0.00 H new ATOM 0 HA GLU A 59 14.293 -9.138 5.241 1.00 0.00 H new ATOM 0 HB2 GLU A 59 14.080 -6.568 6.858 1.00 0.00 H new ATOM 0 HB3 GLU A 59 13.769 -8.188 7.450 1.00 0.00 H new ATOM 0 HG2 GLU A 59 16.140 -8.791 7.003 1.00 0.00 H new ATOM 0 HG3 GLU A 59 16.442 -7.156 6.451 1.00 0.00 H new ATOM 1047 N HIS A 60 11.921 -7.054 5.693 1.00 0.00 N ATOM 1048 CA HIS A 60 10.485 -6.864 5.571 1.00 0.00 C ATOM 1049 C HIS A 60 10.096 -5.513 6.142 1.00 0.00 C ATOM 1050 O HIS A 60 10.779 -4.995 7.031 1.00 0.00 O ATOM 1051 CB HIS A 60 9.749 -8.013 6.331 1.00 0.00 C ATOM 1052 CG HIS A 60 8.239 -7.888 6.442 1.00 0.00 C ATOM 1053 ND1 HIS A 60 7.344 -8.410 5.539 1.00 0.00 N ATOM 1054 CD2 HIS A 60 7.486 -7.301 7.410 1.00 0.00 C ATOM 1055 CE1 HIS A 60 6.109 -8.135 5.969 1.00 0.00 C ATOM 1056 NE2 HIS A 60 6.140 -7.462 7.106 1.00 0.00 N ATOM 0 H HIS A 60 12.362 -6.429 6.368 1.00 0.00 H new ATOM 0 HA HIS A 60 10.196 -6.891 4.520 1.00 0.00 H new ATOM 0 HB2 HIS A 60 9.978 -8.955 5.832 1.00 0.00 H new ATOM 0 HB3 HIS A 60 10.162 -8.076 7.338 1.00 0.00 H new ATOM 0 HD2 HIS A 60 7.873 -6.790 8.279 1.00 0.00 H new ATOM 0 HE1 HIS A 60 5.204 -8.425 5.455 1.00 0.00 H new ATOM 0 HE2 HIS A 60 5.342 -7.130 7.648 1.00 0.00 H new ATOM 1064 N HIS A 61 9.031 -4.950 5.619 1.00 0.00 N ATOM 1065 CA HIS A 61 8.476 -3.715 6.110 1.00 0.00 C ATOM 1066 C HIS A 61 6.969 -3.847 6.074 1.00 0.00 C ATOM 1067 O HIS A 61 6.421 -4.443 5.140 1.00 0.00 O ATOM 1068 CB HIS A 61 8.906 -2.531 5.232 1.00 0.00 C ATOM 1069 CG HIS A 61 8.476 -1.178 5.736 1.00 0.00 C ATOM 1070 ND1 HIS A 61 7.248 -0.597 5.464 1.00 0.00 N ATOM 1071 CD2 HIS A 61 9.139 -0.293 6.507 1.00 0.00 C ATOM 1072 CE1 HIS A 61 7.214 0.590 6.062 1.00 0.00 C ATOM 1073 NE2 HIS A 61 8.339 0.824 6.711 1.00 0.00 N ATOM 0 H HIS A 61 8.520 -5.345 4.829 1.00 0.00 H new ATOM 0 HA HIS A 61 8.833 -3.527 7.123 1.00 0.00 H new ATOM 0 HB2 HIS A 61 9.992 -2.540 5.141 1.00 0.00 H new ATOM 0 HB3 HIS A 61 8.501 -2.675 4.230 1.00 0.00 H new ATOM 0 HD2 HIS A 61 10.134 -0.431 6.903 1.00 0.00 H new ATOM 0 HE1 HIS A 61 6.377 1.272 6.022 1.00 0.00 H new ATOM 0 HE2 HIS A 61 8.573 1.656 7.252 1.00 0.00 H new ATOM 1081 N HIS A 62 6.317 -3.326 7.069 1.00 0.00 N ATOM 1082 CA HIS A 62 4.887 -3.346 7.112 1.00 0.00 C ATOM 1083 C HIS A 62 4.403 -1.896 7.156 1.00 0.00 C ATOM 1084 O HIS A 62 4.111 -1.304 6.124 1.00 0.00 O ATOM 1085 CB HIS A 62 4.393 -4.171 8.324 1.00 0.00 C ATOM 1086 CG HIS A 62 2.924 -4.497 8.320 1.00 0.00 C ATOM 1087 ND1 HIS A 62 2.418 -5.728 7.978 1.00 0.00 N ATOM 1088 CD2 HIS A 62 1.853 -3.739 8.648 1.00 0.00 C ATOM 1089 CE1 HIS A 62 1.098 -5.686 8.102 1.00 0.00 C ATOM 1090 NE2 HIS A 62 0.694 -4.497 8.509 1.00 0.00 N ATOM 0 H HIS A 62 6.759 -2.877 7.871 1.00 0.00 H new ATOM 0 HA HIS A 62 4.475 -3.831 6.227 1.00 0.00 H new ATOM 0 HB2 HIS A 62 4.956 -5.104 8.362 1.00 0.00 H new ATOM 0 HB3 HIS A 62 4.625 -3.621 9.236 1.00 0.00 H new ATOM 0 HD2 HIS A 62 1.891 -2.708 8.967 1.00 0.00 H new ATOM 0 HE1 HIS A 62 0.439 -6.517 7.897 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -0.265 -4.197 8.685 1.00 0.00 H new ATOM 1098 N HIS A 63 4.409 -1.311 8.338 1.00 0.00 N ATOM 1099 CA HIS A 63 4.027 0.084 8.545 1.00 0.00 C ATOM 1100 C HIS A 63 4.839 0.642 9.695 1.00 0.00 C ATOM 1101 O HIS A 63 5.679 -0.074 10.273 1.00 0.00 O ATOM 1102 CB HIS A 63 2.517 0.231 8.885 1.00 0.00 C ATOM 1103 CG HIS A 63 1.550 0.009 7.751 1.00 0.00 C ATOM 1104 ND1 HIS A 63 0.504 -0.891 7.790 1.00 0.00 N ATOM 1105 CD2 HIS A 63 1.443 0.648 6.560 1.00 0.00 C ATOM 1106 CE1 HIS A 63 -0.186 -0.769 6.653 1.00 0.00 C ATOM 1107 NE2 HIS A 63 0.343 0.154 5.870 1.00 0.00 N ATOM 0 H HIS A 63 4.682 -1.791 9.196 1.00 0.00 H new ATOM 0 HA HIS A 63 4.219 0.628 7.620 1.00 0.00 H new ATOM 0 HB2 HIS A 63 2.276 -0.473 9.682 1.00 0.00 H new ATOM 0 HB3 HIS A 63 2.352 1.232 9.283 1.00 0.00 H new ATOM 0 HD2 HIS A 63 2.109 1.420 6.203 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -1.063 -1.350 6.406 1.00 0.00 H new ATOM 0 HE2 HIS A 63 0.012 0.444 4.950 1.00 0.00 H new ATOM 1115 N HIS A 64 4.623 1.888 10.016 1.00 0.00 N ATOM 1116 CA HIS A 64 5.227 2.493 11.145 1.00 0.00 C ATOM 1117 C HIS A 64 4.158 2.783 12.158 1.00 0.00 C ATOM 1118 O HIS A 64 3.455 3.802 12.030 1.00 0.00 O ATOM 1119 CB HIS A 64 5.996 3.757 10.775 1.00 0.00 C ATOM 1120 CG HIS A 64 7.323 3.505 10.119 1.00 0.00 C ATOM 1121 ND1 HIS A 64 8.313 2.725 10.677 1.00 0.00 N ATOM 1122 CD2 HIS A 64 7.816 3.942 8.935 1.00 0.00 C ATOM 1123 CE1 HIS A 64 9.351 2.708 9.849 1.00 0.00 C ATOM 1124 NE2 HIS A 64 9.107 3.437 8.765 1.00 0.00 N ATOM 1125 OXT HIS A 64 3.968 1.973 13.059 1.00 0.00 O ATOM 0 H HIS A 64 4.013 2.510 9.486 1.00 0.00 H new ATOM 0 HA HIS A 64 5.960 1.806 11.567 1.00 0.00 H new ATOM 0 HB2 HIS A 64 5.382 4.359 10.105 1.00 0.00 H new ATOM 0 HB3 HIS A 64 6.156 4.347 11.677 1.00 0.00 H new ATOM 0 HD2 HIS A 64 7.295 4.578 8.235 1.00 0.00 H new ATOM 0 HE1 HIS A 64 10.271 2.173 10.032 1.00 0.00 H new ATOM 0 HE2 HIS A 64 9.732 3.595 7.974 1.00 0.00 H new TER 1133 HIS A 64