USER MOD reduce.3.24.130724 H: found=0, std=0, add=706, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 704 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 9 CYS SG : rot 172:sc= 1.07 USER MOD Set 1.2: A 81 CYS SG : rot 75:sc= 1.53 USER MOD Set 2.1: A 41 LYS NZ :NH3+ -176:sc= 1.27 (180deg=1.22) USER MOD Set 2.2: A 57 ASN : amide:sc= 1.15 K(o=2.4,f=0.35) USER MOD Set 3.1: A 17 HIS : no HE2:sc= 0.0512 K(o=-0.18,f=-1.7) USER MOD Set 3.2: A 36 SER OG : rot 180:sc= -0.227 USER MOD Single : A 1 MET CE :methyl -176:sc= 0 (180deg=-0.0155) USER MOD Single : A 1 MET N :NH3+ 132:sc= 0.0117 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 SER OG : rot 110:sc= 0 USER MOD Single : A 10 CYS SG : rot 180:sc= 0.0136 USER MOD Single : A 11 ASN : amide:sc= -0.734 K(o=-0.73,f=-7.2!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= 1.1 K(o=1.1,f=-6.9!) USER MOD Single : A 15 ASN : amide:sc= 0.857 K(o=0.86,f=0) USER MOD Single : A 20 MET CE :methyl -179:sc= -0.435 (180deg=-0.436) USER MOD Single : A 22 CYS SG : rot 70:sc= -1.13 USER MOD Single : A 29 LYS NZ :NH3+ 152:sc= 1.2 (180deg=0.621) USER MOD Single : A 30 MET CE :methyl -164:sc= 0 (180deg=-0.51) USER MOD Single : A 35 LYS NZ :NH3+ 167:sc= 1.79 (180deg=1.61) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 CYS SG : rot 145:sc= -0.199 USER MOD Single : A 60 LYS NZ :NH3+ -145:sc= 1.18 (180deg=0.0936) USER MOD Single : A 62 HIS : no HD1:sc= -0.0914 X(o=-0.091,f=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 19:sc= 0.846 USER MOD Single : A 70 SER OG : rot 176:sc= 1.24 USER MOD Single : A 71 SER OG : rot 180:sc=0.000581 USER MOD Single : A 72 TYR OH : rot -31:sc= 0.287 USER MOD Single : A 73 SER OG : rot 12:sc= 0.747 USER MOD Single : A 80 GLN : amide:sc= 0.237 X(o=0.24,f=0) USER MOD Single : A 82 LYS NZ :NH3+ -147:sc= 1.3 (180deg=1) USER MOD Single : A 86 LYS NZ :NH3+ -175:sc= 1.24 (180deg=1.15) USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.0188 USER MOD Single : A 88 GLN : amide:sc= 1.06 K(o=1.1,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.281 -0.563 -0.917 1.00 0.00 N ATOM 2 CA MET A 1 3.180 -0.451 -2.088 1.00 0.00 C ATOM 3 C MET A 1 4.365 0.452 -1.742 1.00 0.00 C ATOM 4 O MET A 1 4.196 1.495 -1.109 1.00 0.00 O ATOM 5 CB MET A 1 2.434 0.052 -3.344 1.00 0.00 C ATOM 6 CG MET A 1 3.340 0.115 -4.584 1.00 0.00 C ATOM 7 SD MET A 1 2.479 0.469 -6.141 1.00 0.00 S ATOM 8 CE MET A 1 3.911 0.512 -7.255 1.00 0.00 C ATOM 0 H1 MET A 1 1.298 -0.402 -1.217 1.00 0.00 H new ATOM 0 H2 MET A 1 2.366 -1.514 -0.504 1.00 0.00 H new ATOM 0 H3 MET A 1 2.546 0.148 -0.206 1.00 0.00 H new ATOM 0 HA MET A 1 3.553 -1.446 -2.330 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.590 -0.606 -3.549 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.025 1.043 -3.147 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.099 0.881 -4.423 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.863 -0.836 -4.683 1.00 0.00 H new ATOM 0 HE1 MET A 1 3.584 0.790 -8.257 1.00 0.00 H new ATOM 0 HE2 MET A 1 4.632 1.245 -6.892 1.00 0.00 H new ATOM 0 HE3 MET A 1 4.378 -0.472 -7.285 1.00 0.00 H new ATOM 20 N GLU A 2 5.563 0.070 -2.190 1.00 0.00 N ATOM 21 CA GLU A 2 6.781 0.857 -2.071 1.00 0.00 C ATOM 22 C GLU A 2 7.249 1.155 -3.497 1.00 0.00 C ATOM 23 O GLU A 2 6.901 0.421 -4.430 1.00 0.00 O ATOM 24 CB GLU A 2 7.850 0.086 -1.274 1.00 0.00 C ATOM 25 CG GLU A 2 7.421 -0.280 0.159 1.00 0.00 C ATOM 26 CD GLU A 2 6.494 -1.511 0.241 1.00 0.00 C ATOM 27 OE1 GLU A 2 6.956 -2.645 -0.019 1.00 0.00 O ATOM 28 OE2 GLU A 2 5.306 -1.364 0.609 1.00 0.00 O ATOM 0 H GLU A 2 5.711 -0.824 -2.659 1.00 0.00 H new ATOM 0 HA GLU A 2 6.603 1.785 -1.527 1.00 0.00 H new ATOM 0 HB2 GLU A 2 8.100 -0.828 -1.812 1.00 0.00 H new ATOM 0 HB3 GLU A 2 8.758 0.687 -1.228 1.00 0.00 H new ATOM 0 HG2 GLU A 2 8.312 -0.469 0.757 1.00 0.00 H new ATOM 0 HG3 GLU A 2 6.913 0.575 0.605 1.00 0.00 H new ATOM 35 N TRP A 3 8.026 2.220 -3.675 1.00 0.00 N ATOM 36 CA TRP A 3 8.379 2.748 -4.982 1.00 0.00 C ATOM 37 C TRP A 3 9.892 2.889 -5.077 1.00 0.00 C ATOM 38 O TRP A 3 10.592 2.888 -4.065 1.00 0.00 O ATOM 39 CB TRP A 3 7.669 4.093 -5.217 1.00 0.00 C ATOM 40 CG TRP A 3 6.170 4.083 -5.123 1.00 0.00 C ATOM 41 CD1 TRP A 3 5.456 4.123 -3.976 1.00 0.00 C ATOM 42 CD2 TRP A 3 5.180 4.051 -6.198 1.00 0.00 C ATOM 43 NE1 TRP A 3 4.106 4.099 -4.260 1.00 0.00 N ATOM 44 CE2 TRP A 3 3.875 4.069 -5.619 1.00 0.00 C ATOM 45 CE3 TRP A 3 5.250 4.015 -7.608 1.00 0.00 C ATOM 46 CZ2 TRP A 3 2.707 4.058 -6.398 1.00 0.00 C ATOM 47 CZ3 TRP A 3 4.087 3.996 -8.400 1.00 0.00 C ATOM 48 CH2 TRP A 3 2.816 4.017 -7.798 1.00 0.00 C ATOM 0 H TRP A 3 8.432 2.746 -2.901 1.00 0.00 H new ATOM 0 HA TRP A 3 8.049 2.061 -5.761 1.00 0.00 H new ATOM 0 HB2 TRP A 3 8.052 4.812 -4.493 1.00 0.00 H new ATOM 0 HB3 TRP A 3 7.947 4.458 -6.206 1.00 0.00 H new ATOM 0 HD1 TRP A 3 5.880 4.167 -2.984 1.00 0.00 H new ATOM 0 HE1 TRP A 3 3.371 4.103 -3.553 1.00 0.00 H new ATOM 0 HE3 TRP A 3 6.217 4.002 -8.089 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 1.736 4.081 -5.926 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 4.171 3.965 -9.476 1.00 0.00 H new ATOM 0 HH2 TRP A 3 1.926 4.002 -8.410 1.00 0.00 H new ATOM 59 N LEU A 4 10.390 3.042 -6.299 1.00 0.00 N ATOM 60 CA LEU A 4 11.795 3.169 -6.642 1.00 0.00 C ATOM 61 C LEU A 4 11.964 4.504 -7.344 1.00 0.00 C ATOM 62 O LEU A 4 11.210 4.842 -8.254 1.00 0.00 O ATOM 63 CB LEU A 4 12.178 2.006 -7.566 1.00 0.00 C ATOM 64 CG LEU A 4 13.592 2.045 -8.174 1.00 0.00 C ATOM 65 CD1 LEU A 4 14.686 1.952 -7.107 1.00 0.00 C ATOM 66 CD2 LEU A 4 13.741 0.867 -9.145 1.00 0.00 C ATOM 0 H LEU A 4 9.787 3.083 -7.121 1.00 0.00 H new ATOM 0 HA LEU A 4 12.439 3.133 -5.763 1.00 0.00 H new ATOM 0 HB2 LEU A 4 12.074 1.077 -7.005 1.00 0.00 H new ATOM 0 HB3 LEU A 4 11.457 1.968 -8.383 1.00 0.00 H new ATOM 0 HG LEU A 4 13.711 2.999 -8.687 1.00 0.00 H new ATOM 0 HD11 LEU A 4 15.665 1.984 -7.586 1.00 0.00 H new ATOM 0 HD12 LEU A 4 14.593 2.790 -6.416 1.00 0.00 H new ATOM 0 HD13 LEU A 4 14.581 1.016 -6.558 1.00 0.00 H new ATOM 0 HD21 LEU A 4 14.739 0.881 -9.584 1.00 0.00 H new ATOM 0 HD22 LEU A 4 13.595 -0.069 -8.606 1.00 0.00 H new ATOM 0 HD23 LEU A 4 12.995 0.951 -9.936 1.00 0.00 H new ATOM 78 N VAL A 5 12.965 5.248 -6.911 1.00 0.00 N ATOM 79 CA VAL A 5 13.420 6.493 -7.501 1.00 0.00 C ATOM 80 C VAL A 5 14.414 6.081 -8.573 1.00 0.00 C ATOM 81 O VAL A 5 15.529 5.657 -8.237 1.00 0.00 O ATOM 82 CB VAL A 5 14.081 7.372 -6.421 1.00 0.00 C ATOM 83 CG1 VAL A 5 14.538 8.719 -6.988 1.00 0.00 C ATOM 84 CG2 VAL A 5 13.128 7.620 -5.241 1.00 0.00 C ATOM 0 H VAL A 5 13.513 4.985 -6.092 1.00 0.00 H new ATOM 0 HA VAL A 5 12.608 7.083 -7.925 1.00 0.00 H new ATOM 0 HB VAL A 5 14.955 6.824 -6.068 1.00 0.00 H new ATOM 0 HG11 VAL A 5 14.999 9.310 -6.196 1.00 0.00 H new ATOM 0 HG12 VAL A 5 15.263 8.551 -7.784 1.00 0.00 H new ATOM 0 HG13 VAL A 5 13.678 9.256 -7.388 1.00 0.00 H new ATOM 0 HG21 VAL A 5 13.625 8.243 -4.497 1.00 0.00 H new ATOM 0 HG22 VAL A 5 12.231 8.126 -5.598 1.00 0.00 H new ATOM 0 HG23 VAL A 5 12.852 6.667 -4.790 1.00 0.00 H new ATOM 94 N LYS A 6 13.981 6.194 -9.835 1.00 0.00 N ATOM 95 CA LYS A 6 14.771 5.911 -11.040 1.00 0.00 C ATOM 96 C LYS A 6 15.466 7.168 -11.576 1.00 0.00 C ATOM 97 O LYS A 6 16.422 7.050 -12.337 1.00 0.00 O ATOM 98 CB LYS A 6 13.843 5.390 -12.142 1.00 0.00 C ATOM 99 CG LYS A 6 13.421 3.921 -11.995 1.00 0.00 C ATOM 100 CD LYS A 6 14.507 2.857 -12.210 1.00 0.00 C ATOM 101 CE LYS A 6 15.456 3.133 -13.392 1.00 0.00 C ATOM 102 NZ LYS A 6 16.451 2.045 -13.581 1.00 0.00 N ATOM 0 H LYS A 6 13.032 6.497 -10.053 1.00 0.00 H new ATOM 0 HA LYS A 6 15.527 5.174 -10.768 1.00 0.00 H new ATOM 0 HB2 LYS A 6 12.946 6.009 -12.164 1.00 0.00 H new ATOM 0 HB3 LYS A 6 14.340 5.515 -13.104 1.00 0.00 H new ATOM 0 HG2 LYS A 6 13.008 3.786 -10.995 1.00 0.00 H new ATOM 0 HG3 LYS A 6 12.614 3.728 -12.702 1.00 0.00 H new ATOM 0 HD2 LYS A 6 15.099 2.773 -11.299 1.00 0.00 H new ATOM 0 HD3 LYS A 6 14.025 1.892 -12.367 1.00 0.00 H new ATOM 0 HE2 LYS A 6 14.872 3.251 -14.305 1.00 0.00 H new ATOM 0 HE3 LYS A 6 15.978 4.075 -13.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 17.067 2.274 -14.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 17.027 1.948 -12.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 15.955 1.150 -13.768 1.00 0.00 H new ATOM 116 N LYS A 7 14.987 8.357 -11.204 1.00 0.00 N ATOM 117 CA LYS A 7 15.576 9.667 -11.478 1.00 0.00 C ATOM 118 C LYS A 7 15.170 10.542 -10.298 1.00 0.00 C ATOM 119 O LYS A 7 14.066 10.360 -9.779 1.00 0.00 O ATOM 120 CB LYS A 7 15.041 10.291 -12.781 1.00 0.00 C ATOM 121 CG LYS A 7 15.649 9.681 -14.053 1.00 0.00 C ATOM 122 CD LYS A 7 15.099 10.377 -15.307 1.00 0.00 C ATOM 123 CE LYS A 7 15.578 9.720 -16.612 1.00 0.00 C ATOM 124 NZ LYS A 7 17.037 9.876 -16.845 1.00 0.00 N ATOM 0 H LYS A 7 14.122 8.434 -10.669 1.00 0.00 H new ATOM 0 HA LYS A 7 16.655 9.579 -11.601 1.00 0.00 H new ATOM 0 HB2 LYS A 7 13.958 10.171 -12.813 1.00 0.00 H new ATOM 0 HB3 LYS A 7 15.243 11.362 -12.770 1.00 0.00 H new ATOM 0 HG2 LYS A 7 16.734 9.777 -14.025 1.00 0.00 H new ATOM 0 HG3 LYS A 7 15.424 8.615 -14.094 1.00 0.00 H new ATOM 0 HD2 LYS A 7 14.010 10.362 -15.277 1.00 0.00 H new ATOM 0 HD3 LYS A 7 15.404 11.423 -15.299 1.00 0.00 H new ATOM 0 HE2 LYS A 7 15.332 8.658 -16.588 1.00 0.00 H new ATOM 0 HE3 LYS A 7 15.034 10.155 -17.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 17.297 9.412 -17.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 17.274 10.887 -16.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 17.562 9.438 -16.062 1.00 0.00 H new ATOM 138 N SER A 8 16.010 11.493 -9.914 1.00 0.00 N ATOM 139 CA SER A 8 15.714 12.507 -8.913 1.00 0.00 C ATOM 140 C SER A 8 16.439 13.782 -9.349 1.00 0.00 C ATOM 141 O SER A 8 17.559 13.707 -9.866 1.00 0.00 O ATOM 142 CB SER A 8 16.138 12.030 -7.513 1.00 0.00 C ATOM 143 OG SER A 8 17.259 11.156 -7.516 1.00 0.00 O ATOM 0 H SER A 8 16.948 11.582 -10.304 1.00 0.00 H new ATOM 0 HA SER A 8 14.644 12.702 -8.842 1.00 0.00 H new ATOM 0 HB2 SER A 8 16.370 12.900 -6.899 1.00 0.00 H new ATOM 0 HB3 SER A 8 15.296 11.523 -7.042 1.00 0.00 H new ATOM 0 HG SER A 8 18.034 11.617 -7.132 1.00 0.00 H new ATOM 149 N CYS A 9 15.804 14.939 -9.156 1.00 0.00 N ATOM 150 CA CYS A 9 16.247 16.213 -9.705 1.00 0.00 C ATOM 151 C CYS A 9 16.394 17.217 -8.562 1.00 0.00 C ATOM 152 O CYS A 9 15.403 17.604 -7.935 1.00 0.00 O ATOM 153 CB CYS A 9 15.242 16.691 -10.763 1.00 0.00 C ATOM 154 SG CYS A 9 15.145 15.482 -12.120 1.00 0.00 S ATOM 0 H CYS A 9 14.951 15.014 -8.602 1.00 0.00 H new ATOM 0 HA CYS A 9 17.215 16.108 -10.194 1.00 0.00 H new ATOM 0 HB2 CYS A 9 14.259 16.821 -10.310 1.00 0.00 H new ATOM 0 HB3 CYS A 9 15.545 17.663 -11.152 1.00 0.00 H new ATOM 0 HG CYS A 9 14.171 15.804 -12.919 1.00 0.00 H new ATOM 160 N CYS A 10 17.642 17.592 -8.275 1.00 0.00 N ATOM 161 CA CYS A 10 17.996 18.540 -7.227 1.00 0.00 C ATOM 162 C CYS A 10 17.432 19.933 -7.534 1.00 0.00 C ATOM 163 O CYS A 10 17.287 20.319 -8.696 1.00 0.00 O ATOM 164 CB CYS A 10 19.524 18.603 -7.085 1.00 0.00 C ATOM 165 SG CYS A 10 20.202 16.951 -6.740 1.00 0.00 S ATOM 0 H CYS A 10 18.452 17.233 -8.780 1.00 0.00 H new ATOM 0 HA CYS A 10 17.560 18.201 -6.287 1.00 0.00 H new ATOM 0 HB2 CYS A 10 19.964 18.999 -8.000 1.00 0.00 H new ATOM 0 HB3 CYS A 10 19.792 19.288 -6.280 1.00 0.00 H new ATOM 0 HG CYS A 10 21.495 17.028 -6.626 1.00 0.00 H new ATOM 171 N ASN A 11 17.172 20.704 -6.477 1.00 0.00 N ATOM 172 CA ASN A 11 16.806 22.119 -6.513 1.00 0.00 C ATOM 173 C ASN A 11 17.211 22.720 -5.170 1.00 0.00 C ATOM 174 O ASN A 11 17.187 22.035 -4.145 1.00 0.00 O ATOM 175 CB ASN A 11 15.303 22.323 -6.776 1.00 0.00 C ATOM 176 CG ASN A 11 14.460 22.042 -5.546 1.00 0.00 C ATOM 177 OD1 ASN A 11 13.961 22.960 -4.903 1.00 0.00 O ATOM 178 ND2 ASN A 11 14.346 20.779 -5.168 1.00 0.00 N ATOM 0 H ASN A 11 17.213 20.339 -5.525 1.00 0.00 H new ATOM 0 HA ASN A 11 17.322 22.614 -7.336 1.00 0.00 H new ATOM 0 HB2 ASN A 11 15.130 23.347 -7.106 1.00 0.00 H new ATOM 0 HB3 ASN A 11 14.986 21.669 -7.588 1.00 0.00 H new ATOM 0 HD21 ASN A 11 13.831 20.545 -4.319 1.00 0.00 H new ATOM 0 HD22 ASN A 11 14.773 20.039 -5.726 1.00 0.00 H new ATOM 185 N LYS A 12 17.553 24.006 -5.179 1.00 0.00 N ATOM 186 CA LYS A 12 17.915 24.773 -3.988 1.00 0.00 C ATOM 187 C LYS A 12 16.954 25.931 -3.768 1.00 0.00 C ATOM 188 O LYS A 12 16.938 26.511 -2.683 1.00 0.00 O ATOM 189 CB LYS A 12 19.361 25.291 -4.138 1.00 0.00 C ATOM 190 CG LYS A 12 20.338 24.531 -3.237 1.00 0.00 C ATOM 191 CD LYS A 12 20.144 24.912 -1.757 1.00 0.00 C ATOM 192 CE LYS A 12 21.219 24.301 -0.843 1.00 0.00 C ATOM 193 NZ LYS A 12 21.132 22.822 -0.744 1.00 0.00 N ATOM 0 H LYS A 12 17.587 24.558 -6.036 1.00 0.00 H new ATOM 0 HA LYS A 12 17.850 24.122 -3.116 1.00 0.00 H new ATOM 0 HB2 LYS A 12 19.675 25.194 -5.177 1.00 0.00 H new ATOM 0 HB3 LYS A 12 19.393 26.353 -3.894 1.00 0.00 H new ATOM 0 HG2 LYS A 12 20.191 23.458 -3.361 1.00 0.00 H new ATOM 0 HG3 LYS A 12 21.362 24.750 -3.540 1.00 0.00 H new ATOM 0 HD2 LYS A 12 20.164 25.997 -1.660 1.00 0.00 H new ATOM 0 HD3 LYS A 12 19.160 24.580 -1.426 1.00 0.00 H new ATOM 0 HE2 LYS A 12 22.205 24.576 -1.218 1.00 0.00 H new ATOM 0 HE3 LYS A 12 21.126 24.731 0.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 21.882 22.471 -0.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 20.204 22.554 -0.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 21.249 22.403 -1.689 1.00 0.00 H new ATOM 207 N GLN A 13 16.159 26.267 -4.783 1.00 0.00 N ATOM 208 CA GLN A 13 15.279 27.410 -4.760 1.00 0.00 C ATOM 209 C GLN A 13 14.139 27.176 -3.766 1.00 0.00 C ATOM 210 O GLN A 13 13.681 28.141 -3.153 1.00 0.00 O ATOM 211 CB GLN A 13 14.738 27.679 -6.176 1.00 0.00 C ATOM 212 CG GLN A 13 15.824 28.016 -7.222 1.00 0.00 C ATOM 213 CD GLN A 13 16.446 26.815 -7.952 1.00 0.00 C ATOM 214 OE1 GLN A 13 16.488 25.688 -7.458 1.00 0.00 O ATOM 215 NE2 GLN A 13 16.943 27.020 -9.160 1.00 0.00 N ATOM 0 H GLN A 13 16.116 25.737 -5.654 1.00 0.00 H new ATOM 0 HA GLN A 13 15.834 28.289 -4.433 1.00 0.00 H new ATOM 0 HB2 GLN A 13 14.186 26.802 -6.513 1.00 0.00 H new ATOM 0 HB3 GLN A 13 14.027 28.504 -6.129 1.00 0.00 H new ATOM 0 HG2 GLN A 13 15.390 28.684 -7.966 1.00 0.00 H new ATOM 0 HG3 GLN A 13 16.622 28.568 -6.725 1.00 0.00 H new ATOM 0 HE21 GLN A 13 16.910 27.952 -9.573 1.00 0.00 H new ATOM 0 HE22 GLN A 13 17.359 26.246 -9.678 1.00 0.00 H new ATOM 224 N ASP A 14 13.691 25.921 -3.581 1.00 0.00 N ATOM 225 CA ASP A 14 12.549 25.648 -2.689 1.00 0.00 C ATOM 226 C ASP A 14 12.604 24.269 -2.015 1.00 0.00 C ATOM 227 O ASP A 14 11.619 23.831 -1.421 1.00 0.00 O ATOM 228 CB ASP A 14 11.245 25.826 -3.489 1.00 0.00 C ATOM 229 CG ASP A 14 10.001 25.902 -2.588 1.00 0.00 C ATOM 230 OD1 ASP A 14 9.972 26.726 -1.647 1.00 0.00 O ATOM 231 OD2 ASP A 14 9.029 25.153 -2.837 1.00 0.00 O ATOM 0 H ASP A 14 14.092 25.096 -4.026 1.00 0.00 H new ATOM 0 HA ASP A 14 12.593 26.363 -1.868 1.00 0.00 H new ATOM 0 HB2 ASP A 14 11.312 26.735 -4.087 1.00 0.00 H new ATOM 0 HB3 ASP A 14 11.134 24.994 -4.185 1.00 0.00 H new ATOM 236 N ASN A 15 13.733 23.554 -2.133 1.00 0.00 N ATOM 237 CA ASN A 15 13.932 22.139 -1.767 1.00 0.00 C ATOM 238 C ASN A 15 12.765 21.211 -2.175 1.00 0.00 C ATOM 239 O ASN A 15 12.591 20.110 -1.646 1.00 0.00 O ATOM 240 CB ASN A 15 14.421 21.980 -0.314 1.00 0.00 C ATOM 241 CG ASN A 15 13.371 22.273 0.754 1.00 0.00 C ATOM 242 OD1 ASN A 15 13.126 23.420 1.117 1.00 0.00 O ATOM 243 ND2 ASN A 15 12.780 21.247 1.335 1.00 0.00 N ATOM 0 H ASN A 15 14.584 23.971 -2.509 1.00 0.00 H new ATOM 0 HA ASN A 15 14.752 21.772 -2.384 1.00 0.00 H new ATOM 0 HB2 ASN A 15 14.782 20.961 -0.177 1.00 0.00 H new ATOM 0 HB3 ASN A 15 15.272 22.643 -0.158 1.00 0.00 H new ATOM 0 HD21 ASN A 15 12.114 21.403 2.092 1.00 0.00 H new ATOM 0 HD22 ASN A 15 12.989 20.297 1.028 1.00 0.00 H new ATOM 250 N ARG A 16 12.011 21.630 -3.195 1.00 0.00 N ATOM 251 CA ARG A 16 10.842 20.989 -3.782 1.00 0.00 C ATOM 252 C ARG A 16 11.294 20.178 -4.982 1.00 0.00 C ATOM 253 O ARG A 16 11.353 20.645 -6.117 1.00 0.00 O ATOM 254 CB ARG A 16 9.834 22.070 -4.132 1.00 0.00 C ATOM 255 CG ARG A 16 8.622 21.617 -4.961 1.00 0.00 C ATOM 256 CD ARG A 16 7.485 22.649 -4.905 1.00 0.00 C ATOM 257 NE ARG A 16 7.963 24.016 -5.165 1.00 0.00 N ATOM 258 CZ ARG A 16 8.288 24.538 -6.351 1.00 0.00 C ATOM 259 NH1 ARG A 16 8.123 23.852 -7.475 1.00 0.00 N ATOM 260 NH2 ARG A 16 8.798 25.763 -6.413 1.00 0.00 N ATOM 0 H ARG A 16 12.227 22.506 -3.670 1.00 0.00 H new ATOM 0 HA ARG A 16 10.355 20.300 -3.092 1.00 0.00 H new ATOM 0 HB2 ARG A 16 9.470 22.514 -3.205 1.00 0.00 H new ATOM 0 HB3 ARG A 16 10.351 22.857 -4.681 1.00 0.00 H new ATOM 0 HG2 ARG A 16 8.925 21.464 -5.997 1.00 0.00 H new ATOM 0 HG3 ARG A 16 8.263 20.658 -4.588 1.00 0.00 H new ATOM 0 HD2 ARG A 16 6.722 22.387 -5.638 1.00 0.00 H new ATOM 0 HD3 ARG A 16 7.011 22.612 -3.924 1.00 0.00 H new ATOM 0 HE ARG A 16 8.056 24.629 -4.355 1.00 0.00 H new ATOM 0 HH11 ARG A 16 7.741 22.907 -7.444 1.00 0.00 H new ATOM 0 HH12 ARG A 16 8.378 24.270 -8.370 1.00 0.00 H new ATOM 0 HH21 ARG A 16 8.940 26.300 -5.558 1.00 0.00 H new ATOM 0 HH22 ARG A 16 9.048 26.166 -7.316 1.00 0.00 H new ATOM 274 N HIS A 17 11.774 19.000 -4.640 1.00 0.00 N ATOM 275 CA HIS A 17 12.371 18.043 -5.556 1.00 0.00 C ATOM 276 C HIS A 17 11.323 17.446 -6.495 1.00 0.00 C ATOM 277 O HIS A 17 10.118 17.547 -6.266 1.00 0.00 O ATOM 278 CB HIS A 17 13.077 16.956 -4.735 1.00 0.00 C ATOM 279 CG HIS A 17 14.350 17.456 -4.106 1.00 0.00 C ATOM 280 ND1 HIS A 17 14.488 18.208 -2.957 1.00 0.00 N ATOM 281 CD2 HIS A 17 15.594 17.305 -4.645 1.00 0.00 C ATOM 282 CE1 HIS A 17 15.794 18.498 -2.815 1.00 0.00 C ATOM 283 NE2 HIS A 17 16.511 17.978 -3.828 1.00 0.00 N ATOM 0 H HIS A 17 11.759 18.667 -3.676 1.00 0.00 H new ATOM 0 HA HIS A 17 13.101 18.548 -6.188 1.00 0.00 H new ATOM 0 HB2 HIS A 17 12.405 16.598 -3.955 1.00 0.00 H new ATOM 0 HB3 HIS A 17 13.301 16.105 -5.378 1.00 0.00 H new ATOM 0 HD1 HIS A 17 13.736 18.492 -2.329 1.00 0.00 H new ATOM 0 HD2 HIS A 17 15.831 16.760 -5.547 1.00 0.00 H new ATOM 0 HE1 HIS A 17 16.210 19.070 -1.999 1.00 0.00 H new ATOM 291 N VAL A 18 11.792 16.756 -7.533 1.00 0.00 N ATOM 292 CA VAL A 18 10.952 15.933 -8.394 1.00 0.00 C ATOM 293 C VAL A 18 11.737 14.664 -8.648 1.00 0.00 C ATOM 294 O VAL A 18 12.970 14.686 -8.735 1.00 0.00 O ATOM 295 CB VAL A 18 10.593 16.625 -9.726 1.00 0.00 C ATOM 296 CG1 VAL A 18 9.459 15.920 -10.488 1.00 0.00 C ATOM 297 CG2 VAL A 18 10.171 18.084 -9.536 1.00 0.00 C ATOM 0 H VAL A 18 12.776 16.754 -7.801 1.00 0.00 H new ATOM 0 HA VAL A 18 9.997 15.739 -7.906 1.00 0.00 H new ATOM 0 HB VAL A 18 11.514 16.570 -10.306 1.00 0.00 H new ATOM 0 HG11 VAL A 18 9.255 16.456 -11.415 1.00 0.00 H new ATOM 0 HG12 VAL A 18 9.757 14.897 -10.718 1.00 0.00 H new ATOM 0 HG13 VAL A 18 8.560 15.906 -9.872 1.00 0.00 H new ATOM 0 HG21 VAL A 18 9.930 18.522 -10.505 1.00 0.00 H new ATOM 0 HG22 VAL A 18 9.295 18.128 -8.889 1.00 0.00 H new ATOM 0 HG23 VAL A 18 10.988 18.642 -9.079 1.00 0.00 H new ATOM 307 N LEU A 19 11.012 13.556 -8.709 1.00 0.00 N ATOM 308 CA LEU A 19 11.588 12.238 -8.921 1.00 0.00 C ATOM 309 C LEU A 19 10.673 11.411 -9.817 1.00 0.00 C ATOM 310 O LEU A 19 9.489 11.725 -9.972 1.00 0.00 O ATOM 311 CB LEU A 19 11.929 11.498 -7.603 1.00 0.00 C ATOM 312 CG LEU A 19 11.476 12.043 -6.228 1.00 0.00 C ATOM 313 CD1 LEU A 19 11.772 10.970 -5.179 1.00 0.00 C ATOM 314 CD2 LEU A 19 12.217 13.323 -5.806 1.00 0.00 C ATOM 0 H LEU A 19 9.997 13.548 -8.612 1.00 0.00 H new ATOM 0 HA LEU A 19 12.545 12.378 -9.425 1.00 0.00 H new ATOM 0 HB2 LEU A 19 11.525 10.490 -7.693 1.00 0.00 H new ATOM 0 HB3 LEU A 19 13.014 11.404 -7.564 1.00 0.00 H new ATOM 0 HG LEU A 19 10.416 12.286 -6.306 1.00 0.00 H new ATOM 0 HD11 LEU A 19 11.463 11.326 -4.197 1.00 0.00 H new ATOM 0 HD12 LEU A 19 11.224 10.060 -5.424 1.00 0.00 H new ATOM 0 HD13 LEU A 19 12.841 10.757 -5.168 1.00 0.00 H new ATOM 0 HD21 LEU A 19 11.851 13.651 -4.833 1.00 0.00 H new ATOM 0 HD22 LEU A 19 13.286 13.120 -5.742 1.00 0.00 H new ATOM 0 HD23 LEU A 19 12.040 14.106 -6.543 1.00 0.00 H new ATOM 326 N MET A 20 11.231 10.347 -10.399 1.00 0.00 N ATOM 327 CA MET A 20 10.505 9.421 -11.250 1.00 0.00 C ATOM 328 C MET A 20 10.209 8.223 -10.360 1.00 0.00 C ATOM 329 O MET A 20 11.098 7.404 -10.108 1.00 0.00 O ATOM 330 CB MET A 20 11.317 9.098 -12.516 1.00 0.00 C ATOM 331 CG MET A 20 10.491 8.363 -13.578 1.00 0.00 C ATOM 332 SD MET A 20 11.257 8.265 -15.222 1.00 0.00 S ATOM 333 CE MET A 20 12.761 7.321 -14.875 1.00 0.00 C ATOM 0 H MET A 20 12.216 10.107 -10.286 1.00 0.00 H new ATOM 0 HA MET A 20 9.571 9.824 -11.640 1.00 0.00 H new ATOM 0 HB2 MET A 20 11.705 10.024 -12.940 1.00 0.00 H new ATOM 0 HB3 MET A 20 12.178 8.487 -12.244 1.00 0.00 H new ATOM 0 HG2 MET A 20 10.294 7.351 -13.226 1.00 0.00 H new ATOM 0 HG3 MET A 20 9.526 8.861 -13.673 1.00 0.00 H new ATOM 0 HE1 MET A 20 13.336 7.202 -15.793 1.00 0.00 H new ATOM 0 HE2 MET A 20 13.362 7.852 -14.137 1.00 0.00 H new ATOM 0 HE3 MET A 20 12.492 6.339 -14.486 1.00 0.00 H new ATOM 343 N LEU A 21 9.003 8.208 -9.790 1.00 0.00 N ATOM 344 CA LEU A 21 8.536 7.170 -8.881 1.00 0.00 C ATOM 345 C LEU A 21 8.101 5.988 -9.714 1.00 0.00 C ATOM 346 O LEU A 21 7.287 6.133 -10.621 1.00 0.00 O ATOM 347 CB LEU A 21 7.334 7.643 -8.046 1.00 0.00 C ATOM 348 CG LEU A 21 7.759 8.092 -6.645 1.00 0.00 C ATOM 349 CD1 LEU A 21 8.714 9.289 -6.716 1.00 0.00 C ATOM 350 CD2 LEU A 21 6.516 8.422 -5.814 1.00 0.00 C ATOM 0 H LEU A 21 8.309 8.938 -9.954 1.00 0.00 H new ATOM 0 HA LEU A 21 9.345 6.914 -8.197 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.838 8.468 -8.557 1.00 0.00 H new ATOM 0 HB3 LEU A 21 6.607 6.835 -7.964 1.00 0.00 H new ATOM 0 HG LEU A 21 8.299 7.278 -6.161 1.00 0.00 H new ATOM 0 HD11 LEU A 21 9.000 9.587 -5.707 1.00 0.00 H new ATOM 0 HD12 LEU A 21 9.605 9.010 -7.278 1.00 0.00 H new ATOM 0 HD13 LEU A 21 8.217 10.122 -7.213 1.00 0.00 H new ATOM 0 HD21 LEU A 21 6.819 8.741 -4.817 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.957 9.223 -6.298 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.885 7.536 -5.735 1.00 0.00 H new ATOM 362 N CYS A 22 8.614 4.817 -9.386 1.00 0.00 N ATOM 363 CA CYS A 22 8.463 3.634 -10.206 1.00 0.00 C ATOM 364 C CYS A 22 8.141 2.440 -9.325 1.00 0.00 C ATOM 365 O CYS A 22 8.331 2.488 -8.111 1.00 0.00 O ATOM 366 CB CYS A 22 9.764 3.398 -10.984 1.00 0.00 C ATOM 367 SG CYS A 22 10.241 4.898 -11.891 1.00 0.00 S ATOM 0 H CYS A 22 9.152 4.661 -8.534 1.00 0.00 H new ATOM 0 HA CYS A 22 7.645 3.770 -10.913 1.00 0.00 H new ATOM 0 HB2 CYS A 22 10.560 3.113 -10.296 1.00 0.00 H new ATOM 0 HB3 CYS A 22 9.633 2.570 -11.681 1.00 0.00 H new ATOM 0 HG CYS A 22 10.622 5.812 -11.049 1.00 0.00 H new ATOM 373 N ASP A 23 7.650 1.369 -9.937 1.00 0.00 N ATOM 374 CA ASP A 23 7.538 0.061 -9.300 1.00 0.00 C ATOM 375 C ASP A 23 8.901 -0.307 -8.696 1.00 0.00 C ATOM 376 O ASP A 23 9.935 0.081 -9.249 1.00 0.00 O ATOM 377 CB ASP A 23 7.095 -0.954 -10.365 1.00 0.00 C ATOM 378 CG ASP A 23 7.589 -2.377 -10.075 1.00 0.00 C ATOM 379 OD1 ASP A 23 6.986 -3.064 -9.221 1.00 0.00 O ATOM 380 OD2 ASP A 23 8.582 -2.785 -10.716 1.00 0.00 O ATOM 0 H ASP A 23 7.315 1.384 -10.900 1.00 0.00 H new ATOM 0 HA ASP A 23 6.801 0.065 -8.497 1.00 0.00 H new ATOM 0 HB2 ASP A 23 6.007 -0.958 -10.426 1.00 0.00 H new ATOM 0 HB3 ASP A 23 7.467 -0.637 -11.339 1.00 0.00 H new ATOM 385 N ALA A 24 8.923 -1.043 -7.579 1.00 0.00 N ATOM 386 CA ALA A 24 10.137 -1.578 -6.966 1.00 0.00 C ATOM 387 C ALA A 24 10.775 -2.647 -7.877 1.00 0.00 C ATOM 388 O ALA A 24 10.673 -3.850 -7.620 1.00 0.00 O ATOM 389 CB ALA A 24 9.820 -2.099 -5.558 1.00 0.00 C ATOM 0 H ALA A 24 8.075 -1.287 -7.067 1.00 0.00 H new ATOM 0 HA ALA A 24 10.878 -0.786 -6.856 1.00 0.00 H new ATOM 0 HB1 ALA A 24 10.728 -2.497 -5.104 1.00 0.00 H new ATOM 0 HB2 ALA A 24 9.436 -1.283 -4.946 1.00 0.00 H new ATOM 0 HB3 ALA A 24 9.070 -2.888 -5.622 1.00 0.00 H new ATOM 395 N GLY A 25 11.395 -2.194 -8.967 1.00 0.00 N ATOM 396 CA GLY A 25 11.874 -3.013 -10.076 1.00 0.00 C ATOM 397 C GLY A 25 11.865 -2.263 -11.414 1.00 0.00 C ATOM 398 O GLY A 25 12.516 -2.693 -12.367 1.00 0.00 O ATOM 0 H GLY A 25 11.584 -1.201 -9.105 1.00 0.00 H new ATOM 0 HA2 GLY A 25 12.888 -3.351 -9.861 1.00 0.00 H new ATOM 0 HA3 GLY A 25 11.252 -3.904 -10.160 1.00 0.00 H new ATOM 402 N GLY A 26 11.154 -1.135 -11.485 1.00 0.00 N ATOM 403 CA GLY A 26 11.090 -0.243 -12.636 1.00 0.00 C ATOM 404 C GLY A 26 10.030 -0.631 -13.670 1.00 0.00 C ATOM 405 O GLY A 26 10.011 -0.021 -14.741 1.00 0.00 O ATOM 0 H GLY A 26 10.584 -0.808 -10.705 1.00 0.00 H new ATOM 0 HA2 GLY A 26 10.888 0.769 -12.287 1.00 0.00 H new ATOM 0 HA3 GLY A 26 12.066 -0.224 -13.122 1.00 0.00 H new ATOM 409 N ALA A 27 9.163 -1.616 -13.400 1.00 0.00 N ATOM 410 CA ALA A 27 8.233 -2.151 -14.401 1.00 0.00 C ATOM 411 C ALA A 27 7.131 -1.157 -14.813 1.00 0.00 C ATOM 412 O ALA A 27 6.524 -1.320 -15.872 1.00 0.00 O ATOM 413 CB ALA A 27 7.595 -3.439 -13.868 1.00 0.00 C ATOM 0 H ALA A 27 9.087 -2.062 -12.486 1.00 0.00 H new ATOM 0 HA ALA A 27 8.819 -2.351 -15.298 1.00 0.00 H new ATOM 0 HB1 ALA A 27 6.904 -3.837 -14.611 1.00 0.00 H new ATOM 0 HB2 ALA A 27 8.374 -4.174 -13.666 1.00 0.00 H new ATOM 0 HB3 ALA A 27 7.053 -3.223 -12.947 1.00 0.00 H new ATOM 419 N ILE A 28 6.864 -0.147 -13.984 1.00 0.00 N ATOM 420 CA ILE A 28 5.863 0.903 -14.166 1.00 0.00 C ATOM 421 C ILE A 28 6.549 2.171 -13.657 1.00 0.00 C ATOM 422 O ILE A 28 7.333 2.081 -12.706 1.00 0.00 O ATOM 423 CB ILE A 28 4.577 0.572 -13.358 1.00 0.00 C ATOM 424 CG1 ILE A 28 3.967 -0.786 -13.787 1.00 0.00 C ATOM 425 CG2 ILE A 28 3.529 1.699 -13.493 1.00 0.00 C ATOM 426 CD1 ILE A 28 2.696 -1.189 -13.031 1.00 0.00 C ATOM 0 H ILE A 28 7.376 -0.034 -13.109 1.00 0.00 H new ATOM 0 HA ILE A 28 5.539 1.011 -15.201 1.00 0.00 H new ATOM 0 HB ILE A 28 4.867 0.494 -12.310 1.00 0.00 H new ATOM 0 HG12 ILE A 28 3.741 -0.746 -14.853 1.00 0.00 H new ATOM 0 HG13 ILE A 28 4.717 -1.565 -13.649 1.00 0.00 H new ATOM 0 HG21 ILE A 28 2.640 1.440 -12.918 1.00 0.00 H new ATOM 0 HG22 ILE A 28 3.947 2.632 -13.115 1.00 0.00 H new ATOM 0 HG23 ILE A 28 3.259 1.821 -14.542 1.00 0.00 H new ATOM 0 HD11 ILE A 28 2.343 -2.152 -13.400 1.00 0.00 H new ATOM 0 HD12 ILE A 28 2.915 -1.267 -11.966 1.00 0.00 H new ATOM 0 HD13 ILE A 28 1.924 -0.435 -13.189 1.00 0.00 H new ATOM 438 N LYS A 29 6.282 3.336 -14.261 1.00 0.00 N ATOM 439 CA LYS A 29 6.961 4.590 -13.929 1.00 0.00 C ATOM 440 C LYS A 29 5.968 5.753 -13.940 1.00 0.00 C ATOM 441 O LYS A 29 5.041 5.782 -14.752 1.00 0.00 O ATOM 442 CB LYS A 29 8.127 4.852 -14.903 1.00 0.00 C ATOM 443 CG LYS A 29 9.159 3.704 -14.959 1.00 0.00 C ATOM 444 CD LYS A 29 10.512 4.188 -15.499 1.00 0.00 C ATOM 445 CE LYS A 29 11.657 3.169 -15.334 1.00 0.00 C ATOM 446 NZ LYS A 29 11.467 1.946 -16.157 1.00 0.00 N ATOM 0 H LYS A 29 5.584 3.433 -14.998 1.00 0.00 H new ATOM 0 HA LYS A 29 7.375 4.504 -12.924 1.00 0.00 H new ATOM 0 HB2 LYS A 29 7.724 5.016 -15.903 1.00 0.00 H new ATOM 0 HB3 LYS A 29 8.634 5.771 -14.610 1.00 0.00 H new ATOM 0 HG2 LYS A 29 9.293 3.285 -13.962 1.00 0.00 H new ATOM 0 HG3 LYS A 29 8.779 2.903 -15.593 1.00 0.00 H new ATOM 0 HD2 LYS A 29 10.404 4.429 -16.557 1.00 0.00 H new ATOM 0 HD3 LYS A 29 10.785 5.111 -14.988 1.00 0.00 H new ATOM 0 HE2 LYS A 29 12.600 3.642 -15.608 1.00 0.00 H new ATOM 0 HE3 LYS A 29 11.736 2.886 -14.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 12.394 1.539 -16.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 10.910 1.250 -15.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 10.963 2.192 -17.033 1.00 0.00 H new ATOM 460 N MET A 30 6.182 6.721 -13.053 1.00 0.00 N ATOM 461 CA MET A 30 5.373 7.909 -12.806 1.00 0.00 C ATOM 462 C MET A 30 6.326 9.061 -12.471 1.00 0.00 C ATOM 463 O MET A 30 7.523 8.846 -12.284 1.00 0.00 O ATOM 464 CB MET A 30 4.411 7.680 -11.623 1.00 0.00 C ATOM 465 CG MET A 30 3.463 6.488 -11.794 1.00 0.00 C ATOM 466 SD MET A 30 1.848 6.642 -10.972 1.00 0.00 S ATOM 467 CE MET A 30 2.324 7.267 -9.335 1.00 0.00 C ATOM 0 H MET A 30 6.995 6.691 -12.437 1.00 0.00 H new ATOM 0 HA MET A 30 4.775 8.137 -13.689 1.00 0.00 H new ATOM 0 HB2 MET A 30 4.999 7.533 -10.717 1.00 0.00 H new ATOM 0 HB3 MET A 30 3.817 8.582 -11.475 1.00 0.00 H new ATOM 0 HG2 MET A 30 3.294 6.331 -12.859 1.00 0.00 H new ATOM 0 HG3 MET A 30 3.960 5.595 -11.415 1.00 0.00 H new ATOM 0 HE1 MET A 30 1.493 7.141 -8.642 1.00 0.00 H new ATOM 0 HE2 MET A 30 3.188 6.711 -8.971 1.00 0.00 H new ATOM 0 HE3 MET A 30 2.578 8.325 -9.409 1.00 0.00 H new ATOM 477 N ILE A 31 5.808 10.280 -12.356 1.00 0.00 N ATOM 478 CA ILE A 31 6.538 11.468 -11.927 1.00 0.00 C ATOM 479 C ILE A 31 5.877 11.897 -10.620 1.00 0.00 C ATOM 480 O ILE A 31 4.651 11.811 -10.511 1.00 0.00 O ATOM 481 CB ILE A 31 6.446 12.581 -12.987 1.00 0.00 C ATOM 482 CG1 ILE A 31 6.984 12.107 -14.353 1.00 0.00 C ATOM 483 CG2 ILE A 31 7.243 13.835 -12.569 1.00 0.00 C ATOM 484 CD1 ILE A 31 6.229 12.819 -15.465 1.00 0.00 C ATOM 0 H ILE A 31 4.829 10.475 -12.568 1.00 0.00 H new ATOM 0 HA ILE A 31 7.600 11.265 -11.792 1.00 0.00 H new ATOM 0 HB ILE A 31 5.388 12.830 -13.071 1.00 0.00 H new ATOM 0 HG12 ILE A 31 8.051 12.317 -14.430 1.00 0.00 H new ATOM 0 HG13 ILE A 31 6.864 11.028 -14.449 1.00 0.00 H new ATOM 0 HG21 ILE A 31 7.154 14.598 -13.343 1.00 0.00 H new ATOM 0 HG22 ILE A 31 6.846 14.222 -11.630 1.00 0.00 H new ATOM 0 HG23 ILE A 31 8.293 13.572 -12.438 1.00 0.00 H new ATOM 0 HD11 ILE A 31 6.607 12.486 -16.432 1.00 0.00 H new ATOM 0 HD12 ILE A 31 5.167 12.586 -15.391 1.00 0.00 H new ATOM 0 HD13 ILE A 31 6.372 13.895 -15.370 1.00 0.00 H new ATOM 496 N ALA A 32 6.648 12.388 -9.652 1.00 0.00 N ATOM 497 CA ALA A 32 6.105 13.020 -8.462 1.00 0.00 C ATOM 498 C ALA A 32 6.959 14.226 -8.110 1.00 0.00 C ATOM 499 O ALA A 32 8.188 14.128 -8.069 1.00 0.00 O ATOM 500 CB ALA A 32 6.082 12.043 -7.286 1.00 0.00 C ATOM 0 H ALA A 32 7.667 12.357 -9.675 1.00 0.00 H new ATOM 0 HA ALA A 32 5.080 13.332 -8.664 1.00 0.00 H new ATOM 0 HB1 ALA A 32 5.671 12.541 -6.408 1.00 0.00 H new ATOM 0 HB2 ALA A 32 5.462 11.183 -7.539 1.00 0.00 H new ATOM 0 HB3 ALA A 32 7.097 11.708 -7.072 1.00 0.00 H new ATOM 506 N GLU A 33 6.302 15.347 -7.845 1.00 0.00 N ATOM 507 CA GLU A 33 6.917 16.520 -7.259 1.00 0.00 C ATOM 508 C GLU A 33 6.693 16.379 -5.753 1.00 0.00 C ATOM 509 O GLU A 33 5.605 16.008 -5.292 1.00 0.00 O ATOM 510 CB GLU A 33 6.261 17.797 -7.813 1.00 0.00 C ATOM 511 CG GLU A 33 6.883 19.081 -7.240 1.00 0.00 C ATOM 512 CD GLU A 33 6.316 20.377 -7.852 1.00 0.00 C ATOM 513 OE1 GLU A 33 5.099 20.456 -8.136 1.00 0.00 O ATOM 514 OE2 GLU A 33 7.090 21.350 -8.001 1.00 0.00 O ATOM 0 H GLU A 33 5.307 15.464 -8.037 1.00 0.00 H new ATOM 0 HA GLU A 33 7.979 16.597 -7.493 1.00 0.00 H new ATOM 0 HB2 GLU A 33 6.354 17.806 -8.899 1.00 0.00 H new ATOM 0 HB3 GLU A 33 5.195 17.781 -7.585 1.00 0.00 H new ATOM 0 HG2 GLU A 33 6.724 19.100 -6.162 1.00 0.00 H new ATOM 0 HG3 GLU A 33 7.960 19.055 -7.403 1.00 0.00 H new ATOM 521 N VAL A 34 7.732 16.658 -4.983 1.00 0.00 N ATOM 522 CA VAL A 34 7.805 16.385 -3.563 1.00 0.00 C ATOM 523 C VAL A 34 8.565 17.539 -2.897 1.00 0.00 C ATOM 524 O VAL A 34 9.080 18.424 -3.579 1.00 0.00 O ATOM 525 CB VAL A 34 8.480 15.008 -3.337 1.00 0.00 C ATOM 526 CG1 VAL A 34 7.819 13.838 -4.089 1.00 0.00 C ATOM 527 CG2 VAL A 34 9.960 15.007 -3.729 1.00 0.00 C ATOM 0 H VAL A 34 8.578 17.097 -5.347 1.00 0.00 H new ATOM 0 HA VAL A 34 6.814 16.326 -3.112 1.00 0.00 H new ATOM 0 HB VAL A 34 8.357 14.854 -2.265 1.00 0.00 H new ATOM 0 HG11 VAL A 34 8.357 12.915 -3.872 1.00 0.00 H new ATOM 0 HG12 VAL A 34 6.782 13.738 -3.767 1.00 0.00 H new ATOM 0 HG13 VAL A 34 7.849 14.032 -5.161 1.00 0.00 H new ATOM 0 HG21 VAL A 34 10.383 14.018 -3.550 1.00 0.00 H new ATOM 0 HG22 VAL A 34 10.057 15.258 -4.785 1.00 0.00 H new ATOM 0 HG23 VAL A 34 10.495 15.744 -3.131 1.00 0.00 H new ATOM 537 N LYS A 35 8.690 17.537 -1.574 1.00 0.00 N ATOM 538 CA LYS A 35 9.566 18.428 -0.827 1.00 0.00 C ATOM 539 C LYS A 35 10.376 17.522 0.077 1.00 0.00 C ATOM 540 O LYS A 35 9.812 16.623 0.704 1.00 0.00 O ATOM 541 CB LYS A 35 8.747 19.485 -0.071 1.00 0.00 C ATOM 542 CG LYS A 35 9.623 20.615 0.492 1.00 0.00 C ATOM 543 CD LYS A 35 8.773 21.758 1.075 1.00 0.00 C ATOM 544 CE LYS A 35 8.150 22.657 -0.010 1.00 0.00 C ATOM 545 NZ LYS A 35 9.043 23.769 -0.413 1.00 0.00 N ATOM 0 H LYS A 35 8.169 16.896 -0.976 1.00 0.00 H new ATOM 0 HA LYS A 35 10.232 19.007 -1.466 1.00 0.00 H new ATOM 0 HB2 LYS A 35 7.999 19.909 -0.741 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.208 19.006 0.746 1.00 0.00 H new ATOM 0 HG2 LYS A 35 10.277 20.216 1.267 1.00 0.00 H new ATOM 0 HG3 LYS A 35 10.265 21.005 -0.298 1.00 0.00 H new ATOM 0 HD2 LYS A 35 7.978 21.336 1.690 1.00 0.00 H new ATOM 0 HD3 LYS A 35 9.394 22.367 1.732 1.00 0.00 H new ATOM 0 HE2 LYS A 35 7.912 22.052 -0.885 1.00 0.00 H new ATOM 0 HE3 LYS A 35 7.210 23.067 0.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 8.681 24.206 -1.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 9.074 24.481 0.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 10.001 23.401 -0.582 1.00 0.00 H new ATOM 559 N SER A 36 11.680 17.750 0.128 1.00 0.00 N ATOM 560 CA SER A 36 12.617 16.817 0.749 1.00 0.00 C ATOM 561 C SER A 36 13.618 17.581 1.599 1.00 0.00 C ATOM 562 O SER A 36 13.983 18.704 1.246 1.00 0.00 O ATOM 563 CB SER A 36 13.362 16.020 -0.334 1.00 0.00 C ATOM 564 OG SER A 36 12.535 15.729 -1.445 1.00 0.00 O ATOM 0 H SER A 36 12.121 18.585 -0.258 1.00 0.00 H new ATOM 0 HA SER A 36 12.060 16.126 1.381 1.00 0.00 H new ATOM 0 HB2 SER A 36 14.231 16.588 -0.668 1.00 0.00 H new ATOM 0 HB3 SER A 36 13.735 15.089 0.094 1.00 0.00 H new ATOM 0 HG SER A 36 13.047 15.223 -2.110 1.00 0.00 H new ATOM 570 N ASP A 37 14.097 16.957 2.678 1.00 0.00 N ATOM 571 CA ASP A 37 15.060 17.574 3.604 1.00 0.00 C ATOM 572 C ASP A 37 16.409 16.833 3.622 1.00 0.00 C ATOM 573 O ASP A 37 17.346 17.256 4.299 1.00 0.00 O ATOM 574 CB ASP A 37 14.429 17.664 5.001 1.00 0.00 C ATOM 575 CG ASP A 37 15.292 18.474 5.988 1.00 0.00 C ATOM 576 OD1 ASP A 37 15.569 19.667 5.720 1.00 0.00 O ATOM 577 OD2 ASP A 37 15.638 17.955 7.072 1.00 0.00 O ATOM 0 H ASP A 37 13.830 16.008 2.938 1.00 0.00 H new ATOM 0 HA ASP A 37 15.286 18.581 3.254 1.00 0.00 H new ATOM 0 HB2 ASP A 37 13.444 18.124 4.922 1.00 0.00 H new ATOM 0 HB3 ASP A 37 14.280 16.658 5.394 1.00 0.00 H new ATOM 582 N PHE A 38 16.527 15.748 2.842 1.00 0.00 N ATOM 583 CA PHE A 38 17.695 14.848 2.820 1.00 0.00 C ATOM 584 C PHE A 38 18.217 14.508 1.421 1.00 0.00 C ATOM 585 O PHE A 38 19.254 13.868 1.239 1.00 0.00 O ATOM 586 CB PHE A 38 17.302 13.551 3.521 1.00 0.00 C ATOM 587 CG PHE A 38 16.827 13.691 4.958 1.00 0.00 C ATOM 588 CD1 PHE A 38 15.467 13.928 5.238 1.00 0.00 C ATOM 589 CD2 PHE A 38 17.745 13.588 6.021 1.00 0.00 C ATOM 590 CE1 PHE A 38 15.026 14.066 6.566 1.00 0.00 C ATOM 591 CE2 PHE A 38 17.304 13.717 7.350 1.00 0.00 C ATOM 592 CZ PHE A 38 15.945 13.956 7.623 1.00 0.00 C ATOM 0 H PHE A 38 15.795 15.463 2.191 1.00 0.00 H new ATOM 0 HA PHE A 38 18.506 15.376 3.322 1.00 0.00 H new ATOM 0 HB2 PHE A 38 16.512 13.073 2.942 1.00 0.00 H new ATOM 0 HB3 PHE A 38 18.159 12.878 3.506 1.00 0.00 H new ATOM 0 HD1 PHE A 38 14.758 14.004 4.427 1.00 0.00 H new ATOM 0 HD2 PHE A 38 18.790 13.410 5.815 1.00 0.00 H new ATOM 0 HE1 PHE A 38 13.983 14.256 6.773 1.00 0.00 H new ATOM 0 HE2 PHE A 38 18.010 13.632 8.163 1.00 0.00 H new ATOM 0 HZ PHE A 38 15.608 14.055 8.644 1.00 0.00 H new ATOM 602 N ALA A 39 17.461 15.011 0.464 1.00 0.00 N ATOM 603 CA ALA A 39 17.503 14.796 -0.981 1.00 0.00 C ATOM 604 C ALA A 39 17.541 13.304 -1.374 1.00 0.00 C ATOM 605 O ALA A 39 17.340 12.415 -0.547 1.00 0.00 O ATOM 606 CB ALA A 39 18.649 15.627 -1.578 1.00 0.00 C ATOM 0 H ALA A 39 16.711 15.659 0.704 1.00 0.00 H new ATOM 0 HA ALA A 39 16.568 15.147 -1.417 1.00 0.00 H new ATOM 0 HB1 ALA A 39 18.687 15.472 -2.656 1.00 0.00 H new ATOM 0 HB2 ALA A 39 18.480 16.683 -1.369 1.00 0.00 H new ATOM 0 HB3 ALA A 39 19.594 15.316 -1.133 1.00 0.00 H new ATOM 612 N VAL A 40 17.745 13.037 -2.663 1.00 0.00 N ATOM 613 CA VAL A 40 17.705 11.717 -3.293 1.00 0.00 C ATOM 614 C VAL A 40 18.724 11.703 -4.432 1.00 0.00 C ATOM 615 O VAL A 40 19.158 12.767 -4.889 1.00 0.00 O ATOM 616 CB VAL A 40 16.289 11.376 -3.818 1.00 0.00 C ATOM 617 CG1 VAL A 40 15.571 10.454 -2.834 1.00 0.00 C ATOM 618 CG2 VAL A 40 15.398 12.595 -4.109 1.00 0.00 C ATOM 0 H VAL A 40 17.954 13.777 -3.334 1.00 0.00 H new ATOM 0 HA VAL A 40 17.954 10.956 -2.554 1.00 0.00 H new ATOM 0 HB VAL A 40 16.452 10.882 -4.776 1.00 0.00 H new ATOM 0 HG11 VAL A 40 14.576 10.221 -3.214 1.00 0.00 H new ATOM 0 HG12 VAL A 40 16.140 9.532 -2.718 1.00 0.00 H new ATOM 0 HG13 VAL A 40 15.483 10.951 -1.868 1.00 0.00 H new ATOM 0 HG21 VAL A 40 14.427 12.258 -4.472 1.00 0.00 H new ATOM 0 HG22 VAL A 40 15.263 13.173 -3.195 1.00 0.00 H new ATOM 0 HG23 VAL A 40 15.872 13.219 -4.867 1.00 0.00 H new ATOM 628 N LYS A 41 19.132 10.506 -4.862 1.00 0.00 N ATOM 629 CA LYS A 41 20.259 10.342 -5.794 1.00 0.00 C ATOM 630 C LYS A 41 20.158 9.062 -6.630 1.00 0.00 C ATOM 631 O LYS A 41 21.182 8.517 -7.048 1.00 0.00 O ATOM 632 CB LYS A 41 21.629 10.534 -5.090 1.00 0.00 C ATOM 633 CG LYS A 41 22.133 9.431 -4.139 1.00 0.00 C ATOM 634 CD LYS A 41 21.203 9.187 -2.949 1.00 0.00 C ATOM 635 CE LYS A 41 21.764 8.128 -1.999 1.00 0.00 C ATOM 636 NZ LYS A 41 20.757 7.744 -0.982 1.00 0.00 N ATOM 0 H LYS A 41 18.697 9.628 -4.579 1.00 0.00 H new ATOM 0 HA LYS A 41 20.191 11.150 -6.522 1.00 0.00 H new ATOM 0 HB2 LYS A 41 22.383 10.672 -5.865 1.00 0.00 H new ATOM 0 HB3 LYS A 41 21.582 11.463 -4.523 1.00 0.00 H new ATOM 0 HG2 LYS A 41 22.247 8.503 -4.699 1.00 0.00 H new ATOM 0 HG3 LYS A 41 23.121 9.704 -3.769 1.00 0.00 H new ATOM 0 HD2 LYS A 41 21.054 10.120 -2.406 1.00 0.00 H new ATOM 0 HD3 LYS A 41 20.225 8.870 -3.311 1.00 0.00 H new ATOM 0 HE2 LYS A 41 22.067 7.248 -2.567 1.00 0.00 H new ATOM 0 HE3 LYS A 41 22.657 8.512 -1.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 21.182 7.075 -0.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 20.437 8.592 -0.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 19.945 7.294 -1.450 1.00 0.00 H new ATOM 650 N VAL A 42 18.927 8.637 -6.920 1.00 0.00 N ATOM 651 CA VAL A 42 18.572 7.524 -7.795 1.00 0.00 C ATOM 652 C VAL A 42 18.933 6.158 -7.194 1.00 0.00 C ATOM 653 O VAL A 42 19.838 6.014 -6.368 1.00 0.00 O ATOM 654 CB VAL A 42 19.123 7.756 -9.224 1.00 0.00 C ATOM 655 CG1 VAL A 42 18.678 6.660 -10.200 1.00 0.00 C ATOM 656 CG2 VAL A 42 18.632 9.109 -9.753 1.00 0.00 C ATOM 0 H VAL A 42 18.103 9.090 -6.525 1.00 0.00 H new ATOM 0 HA VAL A 42 17.486 7.495 -7.884 1.00 0.00 H new ATOM 0 HB VAL A 42 20.211 7.736 -9.158 1.00 0.00 H new ATOM 0 HG11 VAL A 42 19.088 6.865 -11.189 1.00 0.00 H new ATOM 0 HG12 VAL A 42 19.039 5.693 -9.850 1.00 0.00 H new ATOM 0 HG13 VAL A 42 17.590 6.642 -10.255 1.00 0.00 H new ATOM 0 HG21 VAL A 42 19.021 9.270 -10.758 1.00 0.00 H new ATOM 0 HG22 VAL A 42 17.542 9.115 -9.780 1.00 0.00 H new ATOM 0 HG23 VAL A 42 18.983 9.905 -9.097 1.00 0.00 H new ATOM 666 N GLY A 43 18.175 5.140 -7.616 1.00 0.00 N ATOM 667 CA GLY A 43 18.199 3.815 -7.029 1.00 0.00 C ATOM 668 C GLY A 43 17.734 3.884 -5.578 1.00 0.00 C ATOM 669 O GLY A 43 18.214 3.099 -4.757 1.00 0.00 O ATOM 0 H GLY A 43 17.518 5.226 -8.391 1.00 0.00 H new ATOM 0 HA2 GLY A 43 17.553 3.144 -7.596 1.00 0.00 H new ATOM 0 HA3 GLY A 43 19.207 3.404 -7.078 1.00 0.00 H new ATOM 673 N ASP A 44 16.860 4.844 -5.238 1.00 0.00 N ATOM 674 CA ASP A 44 16.439 5.021 -3.834 1.00 0.00 C ATOM 675 C ASP A 44 15.072 4.372 -3.680 1.00 0.00 C ATOM 676 O ASP A 44 14.265 4.459 -4.603 1.00 0.00 O ATOM 677 CB ASP A 44 16.362 6.494 -3.386 1.00 0.00 C ATOM 678 CG ASP A 44 17.710 7.164 -3.151 1.00 0.00 C ATOM 679 OD1 ASP A 44 18.408 6.793 -2.179 1.00 0.00 O ATOM 680 OD2 ASP A 44 18.026 8.109 -3.905 1.00 0.00 O ATOM 0 H ASP A 44 16.437 5.498 -5.897 1.00 0.00 H new ATOM 0 HA ASP A 44 17.193 4.556 -3.199 1.00 0.00 H new ATOM 0 HB2 ASP A 44 15.818 7.061 -4.142 1.00 0.00 H new ATOM 0 HB3 ASP A 44 15.780 6.549 -2.466 1.00 0.00 H new ATOM 685 N LEU A 45 14.771 3.739 -2.543 1.00 0.00 N ATOM 686 CA LEU A 45 13.409 3.268 -2.289 1.00 0.00 C ATOM 687 C LEU A 45 12.612 4.407 -1.653 1.00 0.00 C ATOM 688 O LEU A 45 13.192 5.289 -1.015 1.00 0.00 O ATOM 689 CB LEU A 45 13.429 2.053 -1.344 1.00 0.00 C ATOM 690 CG LEU A 45 12.157 1.181 -1.404 1.00 0.00 C ATOM 691 CD1 LEU A 45 12.141 0.277 -2.643 1.00 0.00 C ATOM 692 CD2 LEU A 45 12.075 0.317 -0.145 1.00 0.00 C ATOM 0 H LEU A 45 15.439 3.544 -1.797 1.00 0.00 H new ATOM 0 HA LEU A 45 12.946 2.964 -3.228 1.00 0.00 H new ATOM 0 HB2 LEU A 45 14.292 1.433 -1.586 1.00 0.00 H new ATOM 0 HB3 LEU A 45 13.566 2.405 -0.322 1.00 0.00 H new ATOM 0 HG LEU A 45 11.297 1.848 -1.466 1.00 0.00 H new ATOM 0 HD11 LEU A 45 11.229 -0.320 -2.646 1.00 0.00 H new ATOM 0 HD12 LEU A 45 12.176 0.892 -3.542 1.00 0.00 H new ATOM 0 HD13 LEU A 45 13.007 -0.384 -2.622 1.00 0.00 H new ATOM 0 HD21 LEU A 45 11.177 -0.300 -0.185 1.00 0.00 H new ATOM 0 HD22 LEU A 45 12.954 -0.325 -0.086 1.00 0.00 H new ATOM 0 HD23 LEU A 45 12.035 0.959 0.735 1.00 0.00 H new ATOM 704 N LEU A 46 11.287 4.346 -1.765 1.00 0.00 N ATOM 705 CA LEU A 46 10.337 5.165 -1.037 1.00 0.00 C ATOM 706 C LEU A 46 9.305 4.218 -0.455 1.00 0.00 C ATOM 707 O LEU A 46 8.595 3.546 -1.206 1.00 0.00 O ATOM 708 CB LEU A 46 9.640 6.199 -1.936 1.00 0.00 C ATOM 709 CG LEU A 46 10.551 7.309 -2.469 1.00 0.00 C ATOM 710 CD1 LEU A 46 9.731 8.249 -3.358 1.00 0.00 C ATOM 711 CD2 LEU A 46 11.208 8.128 -1.357 1.00 0.00 C ATOM 0 H LEU A 46 10.830 3.690 -2.399 1.00 0.00 H new ATOM 0 HA LEU A 46 10.861 5.731 -0.267 1.00 0.00 H new ATOM 0 HB2 LEU A 46 9.192 5.679 -2.783 1.00 0.00 H new ATOM 0 HB3 LEU A 46 8.825 6.656 -1.375 1.00 0.00 H new ATOM 0 HG LEU A 46 11.349 6.825 -3.033 1.00 0.00 H new ATOM 0 HD11 LEU A 46 10.374 9.041 -3.740 1.00 0.00 H new ATOM 0 HD12 LEU A 46 9.312 7.687 -4.193 1.00 0.00 H new ATOM 0 HD13 LEU A 46 8.922 8.688 -2.774 1.00 0.00 H new ATOM 0 HD21 LEU A 46 11.841 8.898 -1.798 1.00 0.00 H new ATOM 0 HD22 LEU A 46 10.437 8.598 -0.747 1.00 0.00 H new ATOM 0 HD23 LEU A 46 11.815 7.473 -0.733 1.00 0.00 H new ATOM 723 N SER A 47 9.191 4.201 0.868 1.00 0.00 N ATOM 724 CA SER A 47 8.162 3.448 1.579 1.00 0.00 C ATOM 725 C SER A 47 7.279 4.444 2.337 1.00 0.00 C ATOM 726 O SER A 47 7.815 5.396 2.910 1.00 0.00 O ATOM 727 CB SER A 47 8.801 2.440 2.537 1.00 0.00 C ATOM 728 OG SER A 47 9.734 1.621 1.857 1.00 0.00 O ATOM 0 H SER A 47 9.818 4.716 1.486 1.00 0.00 H new ATOM 0 HA SER A 47 7.554 2.883 0.873 1.00 0.00 H new ATOM 0 HB2 SER A 47 9.299 2.969 3.349 1.00 0.00 H new ATOM 0 HB3 SER A 47 8.027 1.819 2.988 1.00 0.00 H new ATOM 0 HG SER A 47 10.132 0.985 2.488 1.00 0.00 H new ATOM 734 N PRO A 48 5.943 4.288 2.318 1.00 0.00 N ATOM 735 CA PRO A 48 5.043 5.261 2.917 1.00 0.00 C ATOM 736 C PRO A 48 5.160 5.253 4.442 1.00 0.00 C ATOM 737 O PRO A 48 5.454 4.225 5.061 1.00 0.00 O ATOM 738 CB PRO A 48 3.637 4.872 2.448 1.00 0.00 C ATOM 739 CG PRO A 48 3.751 3.374 2.164 1.00 0.00 C ATOM 740 CD PRO A 48 5.193 3.216 1.683 1.00 0.00 C ATOM 0 HA PRO A 48 5.287 6.278 2.611 1.00 0.00 H new ATOM 0 HB2 PRO A 48 2.888 5.079 3.213 1.00 0.00 H new ATOM 0 HB3 PRO A 48 3.344 5.427 1.557 1.00 0.00 H new ATOM 0 HG2 PRO A 48 3.557 2.779 3.057 1.00 0.00 H new ATOM 0 HG3 PRO A 48 3.037 3.053 1.406 1.00 0.00 H new ATOM 0 HD2 PRO A 48 5.593 2.241 1.961 1.00 0.00 H new ATOM 0 HD3 PRO A 48 5.253 3.287 0.597 1.00 0.00 H new ATOM 748 N LEU A 49 4.857 6.404 5.041 1.00 0.00 N ATOM 749 CA LEU A 49 4.773 6.609 6.487 1.00 0.00 C ATOM 750 C LEU A 49 3.371 7.109 6.837 1.00 0.00 C ATOM 751 O LEU A 49 2.793 6.684 7.838 1.00 0.00 O ATOM 752 CB LEU A 49 5.822 7.640 6.938 1.00 0.00 C ATOM 753 CG LEU A 49 7.287 7.237 6.690 1.00 0.00 C ATOM 754 CD1 LEU A 49 8.185 8.418 7.062 1.00 0.00 C ATOM 755 CD2 LEU A 49 7.701 6.003 7.501 1.00 0.00 C ATOM 0 H LEU A 49 4.655 7.252 4.512 1.00 0.00 H new ATOM 0 HA LEU A 49 4.968 5.667 7.000 1.00 0.00 H new ATOM 0 HB2 LEU A 49 5.629 8.581 6.422 1.00 0.00 H new ATOM 0 HB3 LEU A 49 5.689 7.827 8.003 1.00 0.00 H new ATOM 0 HG LEU A 49 7.394 6.978 5.637 1.00 0.00 H new ATOM 0 HD11 LEU A 49 9.228 8.150 6.892 1.00 0.00 H new ATOM 0 HD12 LEU A 49 7.927 9.279 6.446 1.00 0.00 H new ATOM 0 HD13 LEU A 49 8.041 8.668 8.113 1.00 0.00 H new ATOM 0 HD21 LEU A 49 8.743 5.761 7.289 1.00 0.00 H new ATOM 0 HD22 LEU A 49 7.586 6.211 8.565 1.00 0.00 H new ATOM 0 HD23 LEU A 49 7.069 5.158 7.226 1.00 0.00 H new ATOM 767 N GLN A 50 2.818 7.974 5.987 1.00 0.00 N ATOM 768 CA GLN A 50 1.427 8.416 5.974 1.00 0.00 C ATOM 769 C GLN A 50 1.108 8.832 4.527 1.00 0.00 C ATOM 770 O GLN A 50 1.877 8.503 3.621 1.00 0.00 O ATOM 771 CB GLN A 50 1.164 9.501 7.044 1.00 0.00 C ATOM 772 CG GLN A 50 2.125 10.701 7.023 1.00 0.00 C ATOM 773 CD GLN A 50 1.741 11.782 8.040 1.00 0.00 C ATOM 774 OE1 GLN A 50 1.322 11.501 9.162 1.00 0.00 O ATOM 775 NE2 GLN A 50 1.876 13.050 7.682 1.00 0.00 N ATOM 0 H GLN A 50 3.364 8.410 5.244 1.00 0.00 H new ATOM 0 HA GLN A 50 0.741 7.619 6.259 1.00 0.00 H new ATOM 0 HB2 GLN A 50 0.146 9.871 6.918 1.00 0.00 H new ATOM 0 HB3 GLN A 50 1.214 9.035 8.028 1.00 0.00 H new ATOM 0 HG2 GLN A 50 3.137 10.355 7.231 1.00 0.00 H new ATOM 0 HG3 GLN A 50 2.136 11.135 6.023 1.00 0.00 H new ATOM 0 HE21 GLN A 50 2.223 13.283 6.752 1.00 0.00 H new ATOM 0 HE22 GLN A 50 1.633 13.793 8.337 1.00 0.00 H new ATOM 784 N ASN A 51 -0.012 9.528 4.291 1.00 0.00 N ATOM 785 CA ASN A 51 -0.535 9.792 2.944 1.00 0.00 C ATOM 786 C ASN A 51 0.498 10.388 1.981 1.00 0.00 C ATOM 787 O ASN A 51 0.559 9.967 0.826 1.00 0.00 O ATOM 788 CB ASN A 51 -1.761 10.715 3.021 1.00 0.00 C ATOM 789 CG ASN A 51 -2.281 11.043 1.621 1.00 0.00 C ATOM 790 OD1 ASN A 51 -2.973 10.241 1.002 1.00 0.00 O ATOM 791 ND2 ASN A 51 -1.954 12.210 1.087 1.00 0.00 N ATOM 0 H ASN A 51 -0.585 9.927 5.035 1.00 0.00 H new ATOM 0 HA ASN A 51 -0.814 8.820 2.537 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -2.548 10.235 3.603 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -1.497 11.636 3.541 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -2.278 12.451 0.150 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -1.378 12.868 1.612 1.00 0.00 H new ATOM 798 N ALA A 52 1.301 11.353 2.448 1.00 0.00 N ATOM 799 CA ALA A 52 2.256 12.077 1.639 1.00 0.00 C ATOM 800 C ALA A 52 3.696 11.875 2.108 1.00 0.00 C ATOM 801 O ALA A 52 4.587 12.040 1.282 1.00 0.00 O ATOM 802 CB ALA A 52 1.891 13.567 1.634 1.00 0.00 C ATOM 0 H ALA A 52 1.295 11.650 3.424 1.00 0.00 H new ATOM 0 HA ALA A 52 2.204 11.680 0.625 1.00 0.00 H new ATOM 0 HB1 ALA A 52 2.609 14.116 1.025 1.00 0.00 H new ATOM 0 HB2 ALA A 52 0.891 13.695 1.220 1.00 0.00 H new ATOM 0 HB3 ALA A 52 1.913 13.950 2.654 1.00 0.00 H new ATOM 808 N LEU A 53 3.968 11.555 3.381 1.00 0.00 N ATOM 809 CA LEU A 53 5.342 11.312 3.817 1.00 0.00 C ATOM 810 C LEU A 53 5.753 9.905 3.414 1.00 0.00 C ATOM 811 O LEU A 53 5.039 8.941 3.706 1.00 0.00 O ATOM 812 CB LEU A 53 5.554 11.473 5.333 1.00 0.00 C ATOM 813 CG LEU A 53 5.684 12.924 5.831 1.00 0.00 C ATOM 814 CD1 LEU A 53 5.665 12.943 7.363 1.00 0.00 C ATOM 815 CD2 LEU A 53 6.991 13.581 5.365 1.00 0.00 C ATOM 0 H LEU A 53 3.264 11.460 4.113 1.00 0.00 H new ATOM 0 HA LEU A 53 5.957 12.069 3.330 1.00 0.00 H new ATOM 0 HB2 LEU A 53 4.719 11.002 5.852 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.454 10.927 5.617 1.00 0.00 H new ATOM 0 HG LEU A 53 4.845 13.482 5.416 1.00 0.00 H new ATOM 0 HD11 LEU A 53 5.757 13.970 7.715 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.726 12.520 7.721 1.00 0.00 H new ATOM 0 HD13 LEU A 53 6.498 12.353 7.745 1.00 0.00 H new ATOM 0 HD21 LEU A 53 7.038 14.603 5.740 1.00 0.00 H new ATOM 0 HD22 LEU A 53 7.840 13.014 5.748 1.00 0.00 H new ATOM 0 HD23 LEU A 53 7.024 13.593 4.276 1.00 0.00 H new ATOM 827 N TYR A 54 6.950 9.793 2.850 1.00 0.00 N ATOM 828 CA TYR A 54 7.639 8.543 2.581 1.00 0.00 C ATOM 829 C TYR A 54 9.033 8.671 3.189 1.00 0.00 C ATOM 830 O TYR A 54 9.584 9.777 3.240 1.00 0.00 O ATOM 831 CB TYR A 54 7.739 8.290 1.063 1.00 0.00 C ATOM 832 CG TYR A 54 6.430 7.948 0.366 1.00 0.00 C ATOM 833 CD1 TYR A 54 5.450 8.940 0.175 1.00 0.00 C ATOM 834 CD2 TYR A 54 6.185 6.642 -0.101 1.00 0.00 C ATOM 835 CE1 TYR A 54 4.217 8.624 -0.417 1.00 0.00 C ATOM 836 CE2 TYR A 54 4.958 6.315 -0.706 1.00 0.00 C ATOM 837 CZ TYR A 54 3.960 7.307 -0.856 1.00 0.00 C ATOM 838 OH TYR A 54 2.756 7.011 -1.422 1.00 0.00 O ATOM 0 H TYR A 54 7.488 10.608 2.556 1.00 0.00 H new ATOM 0 HA TYR A 54 7.096 7.702 3.013 1.00 0.00 H new ATOM 0 HB2 TYR A 54 8.160 9.178 0.592 1.00 0.00 H new ATOM 0 HB3 TYR A 54 8.443 7.476 0.894 1.00 0.00 H new ATOM 0 HD1 TYR A 54 5.649 9.955 0.487 1.00 0.00 H new ATOM 0 HD2 TYR A 54 6.947 5.884 0.007 1.00 0.00 H new ATOM 0 HE1 TYR A 54 3.464 9.389 -0.537 1.00 0.00 H new ATOM 0 HE2 TYR A 54 4.778 5.309 -1.055 1.00 0.00 H new ATOM 0 HH TYR A 54 2.736 6.064 -1.672 1.00 0.00 H new ATOM 848 N CYS A 55 9.609 7.568 3.661 1.00 0.00 N ATOM 849 CA CYS A 55 11.017 7.543 4.027 1.00 0.00 C ATOM 850 C CYS A 55 11.853 7.245 2.778 1.00 0.00 C ATOM 851 O CYS A 55 11.345 6.660 1.819 1.00 0.00 O ATOM 852 CB CYS A 55 11.298 6.541 5.148 1.00 0.00 C ATOM 853 SG CYS A 55 10.556 4.921 4.826 1.00 0.00 S ATOM 0 H CYS A 55 9.121 6.683 3.798 1.00 0.00 H new ATOM 0 HA CYS A 55 11.297 8.521 4.419 1.00 0.00 H new ATOM 0 HB2 CYS A 55 12.375 6.427 5.268 1.00 0.00 H new ATOM 0 HB3 CYS A 55 10.912 6.934 6.089 1.00 0.00 H new ATOM 0 HG CYS A 55 11.338 3.987 5.280 1.00 0.00 H new ATOM 859 N ILE A 56 13.127 7.637 2.793 1.00 0.00 N ATOM 860 CA ILE A 56 14.024 7.583 1.638 1.00 0.00 C ATOM 861 C ILE A 56 14.980 6.405 1.804 1.00 0.00 C ATOM 862 O ILE A 56 15.346 6.040 2.921 1.00 0.00 O ATOM 863 CB ILE A 56 14.810 8.919 1.507 1.00 0.00 C ATOM 864 CG1 ILE A 56 13.847 10.124 1.367 1.00 0.00 C ATOM 865 CG2 ILE A 56 15.799 8.901 0.315 1.00 0.00 C ATOM 866 CD1 ILE A 56 14.517 11.475 1.633 1.00 0.00 C ATOM 0 H ILE A 56 13.575 8.010 3.630 1.00 0.00 H new ATOM 0 HA ILE A 56 13.443 7.444 0.726 1.00 0.00 H new ATOM 0 HB ILE A 56 15.388 9.028 2.425 1.00 0.00 H new ATOM 0 HG12 ILE A 56 13.426 10.128 0.362 1.00 0.00 H new ATOM 0 HG13 ILE A 56 13.015 9.997 2.060 1.00 0.00 H new ATOM 0 HG21 ILE A 56 16.325 9.855 0.264 1.00 0.00 H new ATOM 0 HG22 ILE A 56 16.521 8.096 0.453 1.00 0.00 H new ATOM 0 HG23 ILE A 56 15.249 8.740 -0.612 1.00 0.00 H new ATOM 0 HD11 ILE A 56 13.784 12.274 1.517 1.00 0.00 H new ATOM 0 HD12 ILE A 56 14.914 11.491 2.648 1.00 0.00 H new ATOM 0 HD13 ILE A 56 15.331 11.624 0.923 1.00 0.00 H new ATOM 878 N ASN A 57 15.459 5.890 0.674 1.00 0.00 N ATOM 879 CA ASN A 57 16.546 4.931 0.508 1.00 0.00 C ATOM 880 C ASN A 57 16.221 3.564 1.084 1.00 0.00 C ATOM 881 O ASN A 57 15.945 2.662 0.299 1.00 0.00 O ATOM 882 CB ASN A 57 17.886 5.478 1.027 1.00 0.00 C ATOM 883 CG ASN A 57 19.001 4.558 0.561 1.00 0.00 C ATOM 884 OD1 ASN A 57 19.508 3.726 1.303 1.00 0.00 O ATOM 885 ND2 ASN A 57 19.360 4.686 -0.700 1.00 0.00 N ATOM 0 H ASN A 57 15.061 6.157 -0.226 1.00 0.00 H new ATOM 0 HA ASN A 57 16.659 4.785 -0.566 1.00 0.00 H new ATOM 0 HB2 ASN A 57 18.051 6.489 0.655 1.00 0.00 H new ATOM 0 HB3 ASN A 57 17.874 5.536 2.115 1.00 0.00 H new ATOM 0 HD21 ASN A 57 20.083 4.080 -1.088 1.00 0.00 H new ATOM 0 HD22 ASN A 57 18.915 5.391 -1.288 1.00 0.00 H new ATOM 892 N ARG A 58 16.235 3.428 2.415 1.00 0.00 N ATOM 893 CA ARG A 58 15.760 2.285 3.195 1.00 0.00 C ATOM 894 C ARG A 58 15.548 2.706 4.660 1.00 0.00 C ATOM 895 O ARG A 58 15.426 1.859 5.543 1.00 0.00 O ATOM 896 CB ARG A 58 16.754 1.108 3.072 1.00 0.00 C ATOM 897 CG ARG A 58 18.138 1.380 3.690 1.00 0.00 C ATOM 898 CD ARG A 58 19.135 0.289 3.284 1.00 0.00 C ATOM 899 NE ARG A 58 20.457 0.504 3.900 1.00 0.00 N ATOM 900 CZ ARG A 58 21.521 -0.298 3.761 1.00 0.00 C ATOM 901 NH1 ARG A 58 21.448 -1.401 3.019 1.00 0.00 N ATOM 902 NH2 ARG A 58 22.662 0.010 4.370 1.00 0.00 N ATOM 0 H ARG A 58 16.604 4.166 3.014 1.00 0.00 H new ATOM 0 HA ARG A 58 14.801 1.946 2.803 1.00 0.00 H new ATOM 0 HB2 ARG A 58 16.321 0.230 3.552 1.00 0.00 H new ATOM 0 HB3 ARG A 58 16.882 0.864 2.017 1.00 0.00 H new ATOM 0 HG2 ARG A 58 18.503 2.354 3.363 1.00 0.00 H new ATOM 0 HG3 ARG A 58 18.056 1.419 4.776 1.00 0.00 H new ATOM 0 HD2 ARG A 58 18.749 -0.686 3.581 1.00 0.00 H new ATOM 0 HD3 ARG A 58 19.237 0.274 2.199 1.00 0.00 H new ATOM 0 HE ARG A 58 20.571 1.334 4.482 1.00 0.00 H new ATOM 0 HH11 ARG A 58 20.576 -1.643 2.549 1.00 0.00 H new ATOM 0 HH12 ARG A 58 22.265 -2.004 2.920 1.00 0.00 H new ATOM 0 HH21 ARG A 58 22.724 0.854 4.940 1.00 0.00 H new ATOM 0 HH22 ARG A 58 23.475 -0.597 4.267 1.00 0.00 H new ATOM 916 N GLU A 59 15.583 4.010 4.937 1.00 0.00 N ATOM 917 CA GLU A 59 15.637 4.590 6.262 1.00 0.00 C ATOM 918 C GLU A 59 14.227 4.744 6.821 1.00 0.00 C ATOM 919 O GLU A 59 13.248 4.293 6.223 1.00 0.00 O ATOM 920 CB GLU A 59 16.372 5.951 6.139 1.00 0.00 C ATOM 921 CG GLU A 59 17.761 5.887 6.775 1.00 0.00 C ATOM 922 CD GLU A 59 17.717 5.741 8.309 1.00 0.00 C ATOM 923 OE1 GLU A 59 16.666 6.051 8.917 1.00 0.00 O ATOM 924 OE2 GLU A 59 18.731 5.303 8.901 1.00 0.00 O ATOM 0 H GLU A 59 15.574 4.717 4.202 1.00 0.00 H new ATOM 0 HA GLU A 59 16.179 3.950 6.958 1.00 0.00 H new ATOM 0 HB2 GLU A 59 16.462 6.225 5.088 1.00 0.00 H new ATOM 0 HB3 GLU A 59 15.783 6.731 6.622 1.00 0.00 H new ATOM 0 HG2 GLU A 59 18.310 5.046 6.351 1.00 0.00 H new ATOM 0 HG3 GLU A 59 18.314 6.790 6.518 1.00 0.00 H new ATOM 931 N LYS A 60 14.131 5.374 7.988 1.00 0.00 N ATOM 932 CA LYS A 60 12.910 5.865 8.599 1.00 0.00 C ATOM 933 C LYS A 60 13.094 7.339 8.969 1.00 0.00 C ATOM 934 O LYS A 60 12.133 8.102 8.894 1.00 0.00 O ATOM 935 CB LYS A 60 12.534 5.032 9.841 1.00 0.00 C ATOM 936 CG LYS A 60 12.472 3.515 9.602 1.00 0.00 C ATOM 937 CD LYS A 60 11.362 3.100 8.624 1.00 0.00 C ATOM 938 CE LYS A 60 11.607 1.699 8.048 1.00 0.00 C ATOM 939 NZ LYS A 60 12.749 1.648 7.100 1.00 0.00 N ATOM 0 H LYS A 60 14.953 5.564 8.562 1.00 0.00 H new ATOM 0 HA LYS A 60 12.092 5.769 7.885 1.00 0.00 H new ATOM 0 HB2 LYS A 60 13.259 5.233 10.629 1.00 0.00 H new ATOM 0 HB3 LYS A 60 11.564 5.368 10.207 1.00 0.00 H new ATOM 0 HG2 LYS A 60 13.433 3.175 9.216 1.00 0.00 H new ATOM 0 HG3 LYS A 60 12.315 3.010 10.555 1.00 0.00 H new ATOM 0 HD2 LYS A 60 10.400 3.120 9.136 1.00 0.00 H new ATOM 0 HD3 LYS A 60 11.305 3.823 7.810 1.00 0.00 H new ATOM 0 HE2 LYS A 60 11.792 1.004 8.867 1.00 0.00 H new ATOM 0 HE3 LYS A 60 10.705 1.360 7.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 12.542 0.965 6.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 12.898 2.590 6.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 13.608 1.354 7.607 1.00 0.00 H new ATOM 953 N LEU A 61 14.318 7.754 9.330 1.00 0.00 N ATOM 954 CA LEU A 61 14.634 9.125 9.700 1.00 0.00 C ATOM 955 C LEU A 61 14.595 10.055 8.491 1.00 0.00 C ATOM 956 O LEU A 61 14.124 11.185 8.600 1.00 0.00 O ATOM 957 CB LEU A 61 16.042 9.201 10.318 1.00 0.00 C ATOM 958 CG LEU A 61 16.284 8.279 11.527 1.00 0.00 C ATOM 959 CD1 LEU A 61 17.694 8.531 12.063 1.00 0.00 C ATOM 960 CD2 LEU A 61 15.235 8.481 12.621 1.00 0.00 C ATOM 0 H LEU A 61 15.123 7.129 9.371 1.00 0.00 H new ATOM 0 HA LEU A 61 13.882 9.442 10.422 1.00 0.00 H new ATOM 0 HB2 LEU A 61 16.772 8.959 9.546 1.00 0.00 H new ATOM 0 HB3 LEU A 61 16.231 10.230 10.624 1.00 0.00 H new ATOM 0 HG LEU A 61 16.193 7.243 11.202 1.00 0.00 H new ATOM 0 HD11 LEU A 61 17.878 7.884 12.920 1.00 0.00 H new ATOM 0 HD12 LEU A 61 18.424 8.316 11.282 1.00 0.00 H new ATOM 0 HD13 LEU A 61 17.786 9.573 12.369 1.00 0.00 H new ATOM 0 HD21 LEU A 61 15.445 7.810 13.454 1.00 0.00 H new ATOM 0 HD22 LEU A 61 15.267 9.513 12.969 1.00 0.00 H new ATOM 0 HD23 LEU A 61 14.245 8.263 12.220 1.00 0.00 H new ATOM 972 N HIS A 62 15.132 9.598 7.356 1.00 0.00 N ATOM 973 CA HIS A 62 15.216 10.410 6.144 1.00 0.00 C ATOM 974 C HIS A 62 13.848 10.395 5.468 1.00 0.00 C ATOM 975 O HIS A 62 13.391 9.315 5.092 1.00 0.00 O ATOM 976 CB HIS A 62 16.284 9.854 5.189 1.00 0.00 C ATOM 977 CG HIS A 62 17.700 9.816 5.721 1.00 0.00 C ATOM 978 ND1 HIS A 62 18.777 9.242 5.080 1.00 0.00 N ATOM 979 CD2 HIS A 62 18.174 10.343 6.896 1.00 0.00 C ATOM 980 CE1 HIS A 62 19.864 9.412 5.851 1.00 0.00 C ATOM 981 NE2 HIS A 62 19.548 10.080 6.976 1.00 0.00 N ATOM 0 H HIS A 62 15.518 8.659 7.254 1.00 0.00 H new ATOM 0 HA HIS A 62 15.501 11.430 6.402 1.00 0.00 H new ATOM 0 HB2 HIS A 62 15.997 8.841 4.906 1.00 0.00 H new ATOM 0 HB3 HIS A 62 16.276 10.454 4.279 1.00 0.00 H new ATOM 0 HD2 HIS A 62 17.588 10.871 7.634 1.00 0.00 H new ATOM 0 HE1 HIS A 62 20.855 9.061 5.602 1.00 0.00 H new ATOM 0 HE2 HIS A 62 20.180 10.342 7.733 1.00 0.00 H new ATOM 989 N THR A 63 13.204 11.548 5.289 1.00 0.00 N ATOM 990 CA THR A 63 11.829 11.643 4.817 1.00 0.00 C ATOM 991 C THR A 63 11.675 12.663 3.682 1.00 0.00 C ATOM 992 O THR A 63 12.494 13.570 3.502 1.00 0.00 O ATOM 993 CB THR A 63 10.927 11.988 6.013 1.00 0.00 C ATOM 994 OG1 THR A 63 11.438 13.111 6.711 1.00 0.00 O ATOM 995 CG2 THR A 63 10.854 10.814 6.991 1.00 0.00 C ATOM 0 H THR A 63 13.633 12.455 5.472 1.00 0.00 H new ATOM 0 HA THR A 63 11.530 10.683 4.396 1.00 0.00 H new ATOM 0 HB THR A 63 9.934 12.209 5.622 1.00 0.00 H new ATOM 0 HG1 THR A 63 10.852 13.319 7.469 1.00 0.00 H new ATOM 0 HG21 THR A 63 10.211 11.079 7.830 1.00 0.00 H new ATOM 0 HG22 THR A 63 10.445 9.941 6.482 1.00 0.00 H new ATOM 0 HG23 THR A 63 11.854 10.584 7.359 1.00 0.00 H new ATOM 1003 N VAL A 64 10.597 12.509 2.919 1.00 0.00 N ATOM 1004 CA VAL A 64 10.211 13.338 1.790 1.00 0.00 C ATOM 1005 C VAL A 64 8.679 13.377 1.796 1.00 0.00 C ATOM 1006 O VAL A 64 8.052 12.393 2.197 1.00 0.00 O ATOM 1007 CB VAL A 64 10.810 12.721 0.504 1.00 0.00 C ATOM 1008 CG1 VAL A 64 10.558 11.215 0.330 1.00 0.00 C ATOM 1009 CG2 VAL A 64 10.323 13.410 -0.766 1.00 0.00 C ATOM 0 H VAL A 64 9.931 11.755 3.086 1.00 0.00 H new ATOM 0 HA VAL A 64 10.586 14.360 1.844 1.00 0.00 H new ATOM 0 HB VAL A 64 11.879 12.880 0.645 1.00 0.00 H new ATOM 0 HG11 VAL A 64 11.015 10.875 -0.599 1.00 0.00 H new ATOM 0 HG12 VAL A 64 10.995 10.674 1.169 1.00 0.00 H new ATOM 0 HG13 VAL A 64 9.485 11.027 0.296 1.00 0.00 H new ATOM 0 HG21 VAL A 64 10.777 12.934 -1.635 1.00 0.00 H new ATOM 0 HG22 VAL A 64 9.238 13.327 -0.832 1.00 0.00 H new ATOM 0 HG23 VAL A 64 10.605 14.462 -0.740 1.00 0.00 H new ATOM 1019 N LYS A 65 8.067 14.485 1.369 1.00 0.00 N ATOM 1020 CA LYS A 65 6.619 14.681 1.402 1.00 0.00 C ATOM 1021 C LYS A 65 6.128 14.919 -0.018 1.00 0.00 C ATOM 1022 O LYS A 65 6.654 15.791 -0.706 1.00 0.00 O ATOM 1023 CB LYS A 65 6.275 15.864 2.322 1.00 0.00 C ATOM 1024 CG LYS A 65 4.772 15.908 2.641 1.00 0.00 C ATOM 1025 CD LYS A 65 4.365 17.131 3.477 1.00 0.00 C ATOM 1026 CE LYS A 65 5.001 17.131 4.877 1.00 0.00 C ATOM 1027 NZ LYS A 65 4.561 18.293 5.690 1.00 0.00 N ATOM 0 H LYS A 65 8.574 15.283 0.985 1.00 0.00 H new ATOM 0 HA LYS A 65 6.123 13.797 1.802 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.843 15.783 3.249 1.00 0.00 H new ATOM 0 HB3 LYS A 65 6.575 16.797 1.845 1.00 0.00 H new ATOM 0 HG2 LYS A 65 4.209 15.911 1.708 1.00 0.00 H new ATOM 0 HG3 LYS A 65 4.495 15.001 3.178 1.00 0.00 H new ATOM 0 HD2 LYS A 65 4.656 18.040 2.950 1.00 0.00 H new ATOM 0 HD3 LYS A 65 3.280 17.154 3.575 1.00 0.00 H new ATOM 0 HE2 LYS A 65 4.739 16.208 5.394 1.00 0.00 H new ATOM 0 HE3 LYS A 65 6.087 17.146 4.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 5.014 18.253 6.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 4.833 19.175 5.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 3.528 18.266 5.804 1.00 0.00 H new ATOM 1041 N VAL A 66 5.142 14.147 -0.463 1.00 0.00 N ATOM 1042 CA VAL A 66 4.544 14.275 -1.785 1.00 0.00 C ATOM 1043 C VAL A 66 3.753 15.584 -1.855 1.00 0.00 C ATOM 1044 O VAL A 66 3.138 15.992 -0.867 1.00 0.00 O ATOM 1045 CB VAL A 66 3.691 13.020 -2.081 1.00 0.00 C ATOM 1046 CG1 VAL A 66 2.892 13.133 -3.391 1.00 0.00 C ATOM 1047 CG2 VAL A 66 4.599 11.783 -2.203 1.00 0.00 C ATOM 0 H VAL A 66 4.729 13.401 0.097 1.00 0.00 H new ATOM 0 HA VAL A 66 5.307 14.327 -2.562 1.00 0.00 H new ATOM 0 HB VAL A 66 2.992 12.928 -1.250 1.00 0.00 H new ATOM 0 HG11 VAL A 66 2.313 12.222 -3.544 1.00 0.00 H new ATOM 0 HG12 VAL A 66 2.216 13.986 -3.333 1.00 0.00 H new ATOM 0 HG13 VAL A 66 3.579 13.271 -4.226 1.00 0.00 H new ATOM 0 HG21 VAL A 66 3.990 10.904 -2.412 1.00 0.00 H new ATOM 0 HG22 VAL A 66 5.310 11.933 -3.015 1.00 0.00 H new ATOM 0 HG23 VAL A 66 5.141 11.636 -1.269 1.00 0.00 H new ATOM 1057 N LEU A 67 3.739 16.217 -3.033 1.00 0.00 N ATOM 1058 CA LEU A 67 2.991 17.446 -3.292 1.00 0.00 C ATOM 1059 C LEU A 67 2.017 17.238 -4.452 1.00 0.00 C ATOM 1060 O LEU A 67 0.888 17.724 -4.388 1.00 0.00 O ATOM 1061 CB LEU A 67 3.954 18.595 -3.633 1.00 0.00 C ATOM 1062 CG LEU A 67 5.039 18.882 -2.579 1.00 0.00 C ATOM 1063 CD1 LEU A 67 6.031 19.871 -3.185 1.00 0.00 C ATOM 1064 CD2 LEU A 67 4.488 19.435 -1.263 1.00 0.00 C ATOM 0 H LEU A 67 4.257 15.882 -3.845 1.00 0.00 H new ATOM 0 HA LEU A 67 2.430 17.703 -2.393 1.00 0.00 H new ATOM 0 HB2 LEU A 67 4.443 18.368 -4.580 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.370 19.503 -3.785 1.00 0.00 H new ATOM 0 HG LEU A 67 5.516 17.936 -2.324 1.00 0.00 H new ATOM 0 HD11 LEU A 67 6.813 20.093 -2.459 1.00 0.00 H new ATOM 0 HD12 LEU A 67 6.479 19.436 -4.079 1.00 0.00 H new ATOM 0 HD13 LEU A 67 5.511 20.791 -3.451 1.00 0.00 H new ATOM 0 HD21 LEU A 67 5.311 19.612 -0.570 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.965 20.372 -1.453 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.796 18.715 -0.827 1.00 0.00 H new ATOM 1076 N SER A 68 2.424 16.521 -5.504 1.00 0.00 N ATOM 1077 CA SER A 68 1.598 16.137 -6.652 1.00 0.00 C ATOM 1078 C SER A 68 2.321 15.012 -7.399 1.00 0.00 C ATOM 1079 O SER A 68 3.543 14.897 -7.293 1.00 0.00 O ATOM 1080 CB SER A 68 1.412 17.340 -7.595 1.00 0.00 C ATOM 1081 OG SER A 68 0.593 18.336 -7.009 1.00 0.00 O ATOM 0 H SER A 68 3.381 16.177 -5.582 1.00 0.00 H new ATOM 0 HA SER A 68 0.617 15.806 -6.312 1.00 0.00 H new ATOM 0 HB2 SER A 68 2.385 17.765 -7.840 1.00 0.00 H new ATOM 0 HB3 SER A 68 0.966 17.005 -8.531 1.00 0.00 H new ATOM 0 HG SER A 68 0.563 18.206 -6.038 1.00 0.00 H new ATOM 1087 N ALA A 69 1.600 14.197 -8.173 1.00 0.00 N ATOM 1088 CA ALA A 69 2.186 13.145 -8.996 1.00 0.00 C ATOM 1089 C ALA A 69 1.267 12.809 -10.170 1.00 0.00 C ATOM 1090 O ALA A 69 0.071 13.115 -10.134 1.00 0.00 O ATOM 1091 CB ALA A 69 2.442 11.903 -8.130 1.00 0.00 C ATOM 0 H ALA A 69 0.584 14.252 -8.244 1.00 0.00 H new ATOM 0 HA ALA A 69 3.135 13.494 -9.404 1.00 0.00 H new ATOM 0 HB1 ALA A 69 2.880 11.116 -8.743 1.00 0.00 H new ATOM 0 HB2 ALA A 69 3.128 12.158 -7.322 1.00 0.00 H new ATOM 0 HB3 ALA A 69 1.500 11.553 -7.709 1.00 0.00 H new ATOM 1097 N SER A 70 1.824 12.163 -11.194 1.00 0.00 N ATOM 1098 CA SER A 70 1.131 11.799 -12.425 1.00 0.00 C ATOM 1099 C SER A 70 1.862 10.650 -13.126 1.00 0.00 C ATOM 1100 O SER A 70 3.061 10.459 -12.922 1.00 0.00 O ATOM 1101 CB SER A 70 1.047 13.032 -13.347 1.00 0.00 C ATOM 1102 OG SER A 70 2.267 13.749 -13.442 1.00 0.00 O ATOM 0 H SER A 70 2.801 11.870 -11.187 1.00 0.00 H new ATOM 0 HA SER A 70 0.122 11.463 -12.187 1.00 0.00 H new ATOM 0 HB2 SER A 70 0.744 12.711 -14.344 1.00 0.00 H new ATOM 0 HB3 SER A 70 0.269 13.700 -12.977 1.00 0.00 H new ATOM 0 HG SER A 70 2.167 14.480 -14.087 1.00 0.00 H new ATOM 1108 N SER A 71 1.161 9.887 -13.970 1.00 0.00 N ATOM 1109 CA SER A 71 1.773 8.903 -14.863 1.00 0.00 C ATOM 1110 C SER A 71 2.853 9.578 -15.726 1.00 0.00 C ATOM 1111 O SER A 71 2.719 10.751 -16.085 1.00 0.00 O ATOM 1112 CB SER A 71 0.684 8.269 -15.739 1.00 0.00 C ATOM 1113 OG SER A 71 -0.409 7.827 -14.943 1.00 0.00 O ATOM 0 H SER A 71 0.146 9.936 -14.052 1.00 0.00 H new ATOM 0 HA SER A 71 2.252 8.118 -14.277 1.00 0.00 H new ATOM 0 HB2 SER A 71 0.335 8.994 -16.475 1.00 0.00 H new ATOM 0 HB3 SER A 71 1.100 7.428 -16.293 1.00 0.00 H new ATOM 0 HG SER A 71 -1.093 7.428 -15.520 1.00 0.00 H new ATOM 1119 N TYR A 72 3.934 8.854 -16.044 1.00 0.00 N ATOM 1120 CA TYR A 72 5.089 9.447 -16.712 1.00 0.00 C ATOM 1121 C TYR A 72 4.716 9.980 -18.099 1.00 0.00 C ATOM 1122 O TYR A 72 3.927 9.369 -18.825 1.00 0.00 O ATOM 1123 CB TYR A 72 6.243 8.436 -16.813 1.00 0.00 C ATOM 1124 CG TYR A 72 7.461 8.983 -17.540 1.00 0.00 C ATOM 1125 CD1 TYR A 72 8.428 9.733 -16.842 1.00 0.00 C ATOM 1126 CD2 TYR A 72 7.600 8.793 -18.930 1.00 0.00 C ATOM 1127 CE1 TYR A 72 9.522 10.294 -17.523 1.00 0.00 C ATOM 1128 CE2 TYR A 72 8.691 9.354 -19.619 1.00 0.00 C ATOM 1129 CZ TYR A 72 9.661 10.105 -18.917 1.00 0.00 C ATOM 1130 OH TYR A 72 10.726 10.622 -19.591 1.00 0.00 O ATOM 0 H TYR A 72 4.028 7.858 -15.848 1.00 0.00 H new ATOM 0 HA TYR A 72 5.423 10.290 -16.107 1.00 0.00 H new ATOM 0 HB2 TYR A 72 6.536 8.128 -15.809 1.00 0.00 H new ATOM 0 HB3 TYR A 72 5.891 7.544 -17.330 1.00 0.00 H new ATOM 0 HD1 TYR A 72 8.328 9.878 -15.776 1.00 0.00 H new ATOM 0 HD2 TYR A 72 6.865 8.214 -19.469 1.00 0.00 H new ATOM 0 HE1 TYR A 72 10.257 10.870 -16.981 1.00 0.00 H new ATOM 0 HE2 TYR A 72 8.787 9.211 -20.685 1.00 0.00 H new ATOM 0 HH TYR A 72 11.017 11.451 -19.157 1.00 0.00 H new ATOM 1140 N SER A 73 5.314 11.107 -18.479 1.00 0.00 N ATOM 1141 CA SER A 73 5.315 11.662 -19.822 1.00 0.00 C ATOM 1142 C SER A 73 6.571 12.539 -19.926 1.00 0.00 C ATOM 1143 O SER A 73 6.884 13.229 -18.953 1.00 0.00 O ATOM 1144 CB SER A 73 4.041 12.483 -20.044 1.00 0.00 C ATOM 1145 OG SER A 73 2.904 11.637 -20.092 1.00 0.00 O ATOM 0 H SER A 73 5.837 11.684 -17.821 1.00 0.00 H new ATOM 0 HA SER A 73 5.330 10.884 -20.585 1.00 0.00 H new ATOM 0 HB2 SER A 73 3.926 13.210 -19.240 1.00 0.00 H new ATOM 0 HB3 SER A 73 4.122 13.046 -20.974 1.00 0.00 H new ATOM 0 HG SER A 73 3.152 10.738 -19.791 1.00 0.00 H new ATOM 1151 N PRO A 74 7.303 12.535 -21.053 1.00 0.00 N ATOM 1152 CA PRO A 74 8.616 13.171 -21.133 1.00 0.00 C ATOM 1153 C PRO A 74 8.542 14.687 -20.945 1.00 0.00 C ATOM 1154 O PRO A 74 9.303 15.251 -20.159 1.00 0.00 O ATOM 1155 CB PRO A 74 9.180 12.798 -22.508 1.00 0.00 C ATOM 1156 CG PRO A 74 7.969 12.345 -23.325 1.00 0.00 C ATOM 1157 CD PRO A 74 7.006 11.803 -22.275 1.00 0.00 C ATOM 0 HA PRO A 74 9.263 12.822 -20.328 1.00 0.00 H new ATOM 0 HB2 PRO A 74 9.675 13.649 -22.975 1.00 0.00 H new ATOM 0 HB3 PRO A 74 9.921 12.003 -22.428 1.00 0.00 H new ATOM 0 HG2 PRO A 74 7.530 13.173 -23.882 1.00 0.00 H new ATOM 0 HG3 PRO A 74 8.240 11.580 -24.052 1.00 0.00 H new ATOM 0 HD2 PRO A 74 5.970 11.953 -22.579 1.00 0.00 H new ATOM 0 HD3 PRO A 74 7.144 10.731 -22.133 1.00 0.00 H new ATOM 1165 N ASP A 75 7.610 15.345 -21.640 1.00 0.00 N ATOM 1166 CA ASP A 75 7.408 16.784 -21.498 1.00 0.00 C ATOM 1167 C ASP A 75 7.008 17.122 -20.067 1.00 0.00 C ATOM 1168 O ASP A 75 7.574 18.037 -19.476 1.00 0.00 O ATOM 1169 CB ASP A 75 6.330 17.294 -22.459 1.00 0.00 C ATOM 1170 CG ASP A 75 6.022 18.778 -22.195 1.00 0.00 C ATOM 1171 OD1 ASP A 75 6.723 19.651 -22.755 1.00 0.00 O ATOM 1172 OD2 ASP A 75 5.058 19.081 -21.456 1.00 0.00 O ATOM 0 H ASP A 75 6.982 14.899 -22.309 1.00 0.00 H new ATOM 0 HA ASP A 75 8.350 17.274 -21.742 1.00 0.00 H new ATOM 0 HB2 ASP A 75 6.663 17.165 -23.489 1.00 0.00 H new ATOM 0 HB3 ASP A 75 5.422 16.703 -22.341 1.00 0.00 H new ATOM 1177 N GLU A 76 6.065 16.367 -19.496 1.00 0.00 N ATOM 1178 CA GLU A 76 5.527 16.664 -18.177 1.00 0.00 C ATOM 1179 C GLU A 76 6.575 16.429 -17.080 1.00 0.00 C ATOM 1180 O GLU A 76 6.544 17.102 -16.048 1.00 0.00 O ATOM 1181 CB GLU A 76 4.244 15.854 -17.931 1.00 0.00 C ATOM 1182 CG GLU A 76 3.300 16.616 -16.992 1.00 0.00 C ATOM 1183 CD GLU A 76 2.045 15.797 -16.654 1.00 0.00 C ATOM 1184 OE1 GLU A 76 1.070 15.810 -17.441 1.00 0.00 O ATOM 1185 OE2 GLU A 76 2.019 15.159 -15.579 1.00 0.00 O ATOM 0 H GLU A 76 5.660 15.541 -19.935 1.00 0.00 H new ATOM 0 HA GLU A 76 5.267 17.722 -18.139 1.00 0.00 H new ATOM 0 HB2 GLU A 76 3.743 15.658 -18.879 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.495 14.886 -17.497 1.00 0.00 H new ATOM 0 HG2 GLU A 76 3.828 16.868 -16.072 1.00 0.00 H new ATOM 0 HG3 GLU A 76 3.005 17.556 -17.458 1.00 0.00 H new ATOM 1192 N TRP A 77 7.513 15.502 -17.297 1.00 0.00 N ATOM 1193 CA TRP A 77 8.662 15.287 -16.435 1.00 0.00 C ATOM 1194 C TRP A 77 9.538 16.536 -16.446 1.00 0.00 C ATOM 1195 O TRP A 77 9.772 17.123 -15.387 1.00 0.00 O ATOM 1196 CB TRP A 77 9.424 14.033 -16.903 1.00 0.00 C ATOM 1197 CG TRP A 77 10.847 13.903 -16.454 1.00 0.00 C ATOM 1198 CD1 TRP A 77 11.286 14.016 -15.184 1.00 0.00 C ATOM 1199 CD2 TRP A 77 12.044 13.697 -17.267 1.00 0.00 C ATOM 1200 NE1 TRP A 77 12.661 13.901 -15.149 1.00 0.00 N ATOM 1201 CE2 TRP A 77 13.186 13.727 -16.412 1.00 0.00 C ATOM 1202 CE3 TRP A 77 12.282 13.517 -18.647 1.00 0.00 C ATOM 1203 CZ2 TRP A 77 14.495 13.609 -16.904 1.00 0.00 C ATOM 1204 CZ3 TRP A 77 13.590 13.380 -19.150 1.00 0.00 C ATOM 1205 CH2 TRP A 77 14.697 13.430 -18.283 1.00 0.00 C ATOM 0 H TRP A 77 7.487 14.870 -18.097 1.00 0.00 H new ATOM 0 HA TRP A 77 8.346 15.114 -15.406 1.00 0.00 H new ATOM 0 HB2 TRP A 77 8.877 13.155 -16.559 1.00 0.00 H new ATOM 0 HB3 TRP A 77 9.408 14.012 -17.993 1.00 0.00 H new ATOM 0 HD1 TRP A 77 10.655 14.173 -14.322 1.00 0.00 H new ATOM 0 HE1 TRP A 77 13.219 13.940 -14.296 1.00 0.00 H new ATOM 0 HE3 TRP A 77 11.445 13.484 -19.329 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 15.338 13.655 -16.230 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 13.745 13.235 -20.209 1.00 0.00 H new ATOM 0 HH2 TRP A 77 15.698 13.331 -18.676 1.00 0.00 H new ATOM 1216 N GLU A 78 9.997 16.976 -17.620 1.00 0.00 N ATOM 1217 CA GLU A 78 10.932 18.095 -17.699 1.00 0.00 C ATOM 1218 C GLU A 78 10.269 19.393 -17.232 1.00 0.00 C ATOM 1219 O GLU A 78 10.892 20.193 -16.538 1.00 0.00 O ATOM 1220 CB GLU A 78 11.502 18.228 -19.117 1.00 0.00 C ATOM 1221 CG GLU A 78 12.398 17.032 -19.468 1.00 0.00 C ATOM 1222 CD GLU A 78 13.125 17.241 -20.808 1.00 0.00 C ATOM 1223 OE1 GLU A 78 12.558 16.933 -21.881 1.00 0.00 O ATOM 1224 OE2 GLU A 78 14.286 17.713 -20.805 1.00 0.00 O ATOM 0 H GLU A 78 9.737 16.576 -18.522 1.00 0.00 H new ATOM 0 HA GLU A 78 11.767 17.895 -17.027 1.00 0.00 H new ATOM 0 HB2 GLU A 78 10.685 18.297 -19.835 1.00 0.00 H new ATOM 0 HB3 GLU A 78 12.076 19.151 -19.196 1.00 0.00 H new ATOM 0 HG2 GLU A 78 13.131 16.881 -18.676 1.00 0.00 H new ATOM 0 HG3 GLU A 78 11.793 16.127 -19.519 1.00 0.00 H new ATOM 1231 N ARG A 79 8.983 19.571 -17.539 1.00 0.00 N ATOM 1232 CA ARG A 79 8.149 20.661 -17.052 1.00 0.00 C ATOM 1233 C ARG A 79 8.190 20.712 -15.530 1.00 0.00 C ATOM 1234 O ARG A 79 8.542 21.751 -14.973 1.00 0.00 O ATOM 1235 CB ARG A 79 6.745 20.397 -17.609 1.00 0.00 C ATOM 1236 CG ARG A 79 5.620 21.340 -17.168 1.00 0.00 C ATOM 1237 CD ARG A 79 4.282 20.780 -17.680 1.00 0.00 C ATOM 1238 NE ARG A 79 4.212 20.758 -19.156 1.00 0.00 N ATOM 1239 CZ ARG A 79 3.722 21.714 -19.954 1.00 0.00 C ATOM 1240 NH1 ARG A 79 3.196 22.833 -19.462 1.00 0.00 N ATOM 1241 NH2 ARG A 79 3.781 21.516 -21.263 1.00 0.00 N ATOM 0 H ARG A 79 8.479 18.934 -18.157 1.00 0.00 H new ATOM 0 HA ARG A 79 8.497 21.639 -17.384 1.00 0.00 H new ATOM 0 HB2 ARG A 79 6.803 20.429 -18.697 1.00 0.00 H new ATOM 0 HB3 ARG A 79 6.460 19.381 -17.334 1.00 0.00 H new ATOM 0 HG2 ARG A 79 5.603 21.427 -16.082 1.00 0.00 H new ATOM 0 HG3 ARG A 79 5.788 22.341 -17.565 1.00 0.00 H new ATOM 0 HD2 ARG A 79 4.143 19.769 -17.297 1.00 0.00 H new ATOM 0 HD3 ARG A 79 3.464 21.385 -17.289 1.00 0.00 H new ATOM 0 HE ARG A 79 4.577 19.924 -19.616 1.00 0.00 H new ATOM 0 HH11 ARG A 79 3.159 22.979 -18.453 1.00 0.00 H new ATOM 0 HH12 ARG A 79 2.830 23.545 -20.094 1.00 0.00 H new ATOM 0 HH21 ARG A 79 4.190 20.657 -21.631 1.00 0.00 H new ATOM 0 HH22 ARG A 79 3.417 22.223 -21.903 1.00 0.00 H new ATOM 1255 N GLN A 80 7.889 19.603 -14.847 1.00 0.00 N ATOM 1256 CA GLN A 80 7.929 19.560 -13.390 1.00 0.00 C ATOM 1257 C GLN A 80 9.344 19.864 -12.888 1.00 0.00 C ATOM 1258 O GLN A 80 9.497 20.626 -11.935 1.00 0.00 O ATOM 1259 CB GLN A 80 7.384 18.214 -12.875 1.00 0.00 C ATOM 1260 CG GLN A 80 5.854 18.162 -13.024 1.00 0.00 C ATOM 1261 CD GLN A 80 5.261 16.778 -12.755 1.00 0.00 C ATOM 1262 OE1 GLN A 80 4.994 16.404 -11.616 1.00 0.00 O ATOM 1263 NE2 GLN A 80 5.014 16.013 -13.806 1.00 0.00 N ATOM 0 H GLN A 80 7.615 18.724 -15.285 1.00 0.00 H new ATOM 0 HA GLN A 80 7.278 20.335 -12.985 1.00 0.00 H new ATOM 0 HB2 GLN A 80 7.838 17.394 -13.431 1.00 0.00 H new ATOM 0 HB3 GLN A 80 7.659 18.080 -11.829 1.00 0.00 H new ATOM 0 HG2 GLN A 80 5.406 18.880 -12.338 1.00 0.00 H new ATOM 0 HG3 GLN A 80 5.584 18.474 -14.033 1.00 0.00 H new ATOM 0 HE21 GLN A 80 5.244 16.344 -14.743 1.00 0.00 H new ATOM 0 HE22 GLN A 80 4.594 15.092 -13.679 1.00 0.00 H new ATOM 1272 N CYS A 81 10.386 19.352 -13.548 1.00 0.00 N ATOM 1273 CA CYS A 81 11.769 19.615 -13.154 1.00 0.00 C ATOM 1274 C CYS A 81 12.150 21.094 -13.292 1.00 0.00 C ATOM 1275 O CYS A 81 12.936 21.592 -12.488 1.00 0.00 O ATOM 1276 CB CYS A 81 12.728 18.751 -13.975 1.00 0.00 C ATOM 1277 SG CYS A 81 12.392 16.997 -13.656 1.00 0.00 S ATOM 0 H CYS A 81 10.294 18.748 -14.365 1.00 0.00 H new ATOM 0 HA CYS A 81 11.852 19.356 -12.098 1.00 0.00 H new ATOM 0 HB2 CYS A 81 12.610 18.967 -15.037 1.00 0.00 H new ATOM 0 HB3 CYS A 81 13.760 18.987 -13.715 1.00 0.00 H new ATOM 0 HG CYS A 81 11.304 16.644 -14.274 1.00 0.00 H new ATOM 1283 N LYS A 82 11.606 21.821 -14.273 1.00 0.00 N ATOM 1284 CA LYS A 82 11.808 23.258 -14.387 1.00 0.00 C ATOM 1285 C LYS A 82 11.058 23.955 -13.268 1.00 0.00 C ATOM 1286 O LYS A 82 11.620 24.826 -12.600 1.00 0.00 O ATOM 1287 CB LYS A 82 11.356 23.771 -15.763 1.00 0.00 C ATOM 1288 CG LYS A 82 12.330 23.364 -16.873 1.00 0.00 C ATOM 1289 CD LYS A 82 11.859 23.941 -18.214 1.00 0.00 C ATOM 1290 CE LYS A 82 12.777 23.548 -19.377 1.00 0.00 C ATOM 1291 NZ LYS A 82 14.166 24.043 -19.211 1.00 0.00 N ATOM 0 H LYS A 82 11.016 21.426 -15.005 1.00 0.00 H new ATOM 0 HA LYS A 82 12.871 23.480 -14.296 1.00 0.00 H new ATOM 0 HB2 LYS A 82 10.364 23.379 -15.989 1.00 0.00 H new ATOM 0 HB3 LYS A 82 11.271 24.857 -15.735 1.00 0.00 H new ATOM 0 HG2 LYS A 82 13.331 23.727 -16.642 1.00 0.00 H new ATOM 0 HG3 LYS A 82 12.391 22.278 -16.935 1.00 0.00 H new ATOM 0 HD2 LYS A 82 10.847 23.593 -18.420 1.00 0.00 H new ATOM 0 HD3 LYS A 82 11.814 25.028 -18.142 1.00 0.00 H new ATOM 0 HE2 LYS A 82 12.793 22.462 -19.470 1.00 0.00 H new ATOM 0 HE3 LYS A 82 12.365 23.941 -20.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 14.569 24.264 -20.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 14.161 24.901 -18.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 14.743 23.311 -18.749 1.00 0.00 H new ATOM 1305 N VAL A 83 9.801 23.567 -13.038 1.00 0.00 N ATOM 1306 CA VAL A 83 8.961 24.148 -11.999 1.00 0.00 C ATOM 1307 C VAL A 83 9.599 23.971 -10.612 1.00 0.00 C ATOM 1308 O VAL A 83 9.425 24.835 -9.751 1.00 0.00 O ATOM 1309 CB VAL A 83 7.527 23.577 -12.113 1.00 0.00 C ATOM 1310 CG1 VAL A 83 6.619 23.940 -10.929 1.00 0.00 C ATOM 1311 CG2 VAL A 83 6.840 24.097 -13.385 1.00 0.00 C ATOM 0 H VAL A 83 9.338 22.834 -13.575 1.00 0.00 H new ATOM 0 HA VAL A 83 8.881 25.226 -12.140 1.00 0.00 H new ATOM 0 HB VAL A 83 7.655 22.495 -12.132 1.00 0.00 H new ATOM 0 HG11 VAL A 83 5.631 23.504 -11.081 1.00 0.00 H new ATOM 0 HG12 VAL A 83 7.050 23.550 -10.007 1.00 0.00 H new ATOM 0 HG13 VAL A 83 6.530 25.024 -10.857 1.00 0.00 H new ATOM 0 HG21 VAL A 83 5.833 23.685 -13.449 1.00 0.00 H new ATOM 0 HG22 VAL A 83 6.786 25.185 -13.350 1.00 0.00 H new ATOM 0 HG23 VAL A 83 7.413 23.790 -14.260 1.00 0.00 H new ATOM 1321 N ALA A 84 10.376 22.903 -10.396 1.00 0.00 N ATOM 1322 CA ALA A 84 11.124 22.656 -9.165 1.00 0.00 C ATOM 1323 C ALA A 84 12.031 23.828 -8.783 1.00 0.00 C ATOM 1324 O ALA A 84 12.194 24.111 -7.597 1.00 0.00 O ATOM 1325 CB ALA A 84 11.986 21.404 -9.351 1.00 0.00 C ATOM 0 H ALA A 84 10.503 22.169 -11.093 1.00 0.00 H new ATOM 0 HA ALA A 84 10.400 22.524 -8.361 1.00 0.00 H new ATOM 0 HB1 ALA A 84 12.549 21.211 -8.438 1.00 0.00 H new ATOM 0 HB2 ALA A 84 11.345 20.550 -9.570 1.00 0.00 H new ATOM 0 HB3 ALA A 84 12.679 21.559 -10.178 1.00 0.00 H new ATOM 1331 N GLY A 85 12.624 24.496 -9.779 1.00 0.00 N ATOM 1332 CA GLY A 85 13.588 25.558 -9.559 1.00 0.00 C ATOM 1333 C GLY A 85 12.937 26.916 -9.775 1.00 0.00 C ATOM 1334 O GLY A 85 12.723 27.652 -8.811 1.00 0.00 O ATOM 0 H GLY A 85 12.441 24.307 -10.764 1.00 0.00 H new ATOM 0 HA2 GLY A 85 13.984 25.494 -8.546 1.00 0.00 H new ATOM 0 HA3 GLY A 85 14.431 25.439 -10.239 1.00 0.00 H new ATOM 1338 N LYS A 86 12.612 27.250 -11.031 1.00 0.00 N ATOM 1339 CA LYS A 86 12.125 28.590 -11.400 1.00 0.00 C ATOM 1340 C LYS A 86 11.300 28.636 -12.689 1.00 0.00 C ATOM 1341 O LYS A 86 11.130 29.702 -13.281 1.00 0.00 O ATOM 1342 CB LYS A 86 13.283 29.619 -11.378 1.00 0.00 C ATOM 1343 CG LYS A 86 14.296 29.608 -12.541 1.00 0.00 C ATOM 1344 CD LYS A 86 14.942 28.247 -12.840 1.00 0.00 C ATOM 1345 CE LYS A 86 16.105 28.409 -13.831 1.00 0.00 C ATOM 1346 NZ LYS A 86 16.519 27.111 -14.414 1.00 0.00 N ATOM 0 H LYS A 86 12.678 26.604 -11.818 1.00 0.00 H new ATOM 0 HA LYS A 86 11.407 28.877 -10.632 1.00 0.00 H new ATOM 0 HB2 LYS A 86 12.842 30.615 -11.332 1.00 0.00 H new ATOM 0 HB3 LYS A 86 13.839 29.473 -10.452 1.00 0.00 H new ATOM 0 HG2 LYS A 86 13.792 29.958 -13.442 1.00 0.00 H new ATOM 0 HG3 LYS A 86 15.086 30.325 -12.319 1.00 0.00 H new ATOM 0 HD2 LYS A 86 15.305 27.799 -11.915 1.00 0.00 H new ATOM 0 HD3 LYS A 86 14.197 27.567 -13.253 1.00 0.00 H new ATOM 0 HE2 LYS A 86 15.809 29.088 -14.630 1.00 0.00 H new ATOM 0 HE3 LYS A 86 16.954 28.866 -13.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 17.359 27.251 -15.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 16.745 26.443 -13.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 15.744 26.727 -14.991 1.00 0.00 H new ATOM 1360 N THR A 87 10.785 27.485 -13.115 1.00 0.00 N ATOM 1361 CA THR A 87 9.925 27.346 -14.293 1.00 0.00 C ATOM 1362 C THR A 87 10.631 27.867 -15.563 1.00 0.00 C ATOM 1363 O THR A 87 10.003 28.441 -16.453 1.00 0.00 O ATOM 1364 CB THR A 87 8.540 27.964 -13.986 1.00 0.00 C ATOM 1365 OG1 THR A 87 8.130 27.575 -12.685 1.00 0.00 O ATOM 1366 CG2 THR A 87 7.439 27.518 -14.959 1.00 0.00 C ATOM 0 H THR A 87 10.957 26.599 -12.640 1.00 0.00 H new ATOM 0 HA THR A 87 9.737 26.297 -14.520 1.00 0.00 H new ATOM 0 HB THR A 87 8.664 29.043 -14.081 1.00 0.00 H new ATOM 0 HG1 THR A 87 7.254 27.967 -12.487 1.00 0.00 H new ATOM 0 HG21 THR A 87 6.496 27.990 -14.683 1.00 0.00 H new ATOM 0 HG22 THR A 87 7.709 27.812 -15.973 1.00 0.00 H new ATOM 0 HG23 THR A 87 7.329 26.435 -14.912 1.00 0.00 H new ATOM 1374 N GLN A 88 11.950 27.672 -15.658 1.00 0.00 N ATOM 1375 CA GLN A 88 12.774 27.993 -16.817 1.00 0.00 C ATOM 1376 C GLN A 88 13.836 26.906 -16.918 1.00 0.00 C ATOM 1377 O GLN A 88 14.275 26.415 -15.856 1.00 0.00 O ATOM 1378 CB GLN A 88 13.450 29.372 -16.673 1.00 0.00 C ATOM 1379 CG GLN A 88 12.520 30.597 -16.698 1.00 0.00 C ATOM 1380 CD GLN A 88 11.945 30.883 -18.090 1.00 0.00 C ATOM 1381 OE1 GLN A 88 12.505 31.647 -18.873 1.00 0.00 O ATOM 1382 NE2 GLN A 88 10.820 30.278 -18.433 1.00 0.00 N ATOM 1383 OXT GLN A 88 14.212 26.552 -18.054 1.00 0.00 O ATOM 0 H GLN A 88 12.491 27.268 -14.894 1.00 0.00 H new ATOM 0 HA GLN A 88 12.153 28.036 -17.712 1.00 0.00 H new ATOM 0 HB2 GLN A 88 14.005 29.384 -15.735 1.00 0.00 H new ATOM 0 HB3 GLN A 88 14.179 29.480 -17.476 1.00 0.00 H new ATOM 0 HG2 GLN A 88 11.700 30.438 -15.998 1.00 0.00 H new ATOM 0 HG3 GLN A 88 13.071 31.472 -16.351 1.00 0.00 H new ATOM 0 HE21 GLN A 88 10.361 29.645 -17.778 1.00 0.00 H new ATOM 0 HE22 GLN A 88 10.411 30.444 -19.353 1.00 0.00 H new TER 1392 GLN A 88