USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 583 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 27 HIS : no HD1:sc= -0.415 X(o=-0.41,f=0) USER MOD Set 1.2: A 57 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 48 THR OG1 : rot 137:sc= 1.52 USER MOD Set 2.2: A 50 THR OG1 : rot 180:sc= 0.0297 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 TYR OH : rot 180:sc= -0.086 USER MOD Single : A 14 ASN : amide:sc= -0.0803 X(o=-0.08,f=0) USER MOD Single : A 15 SER OG : rot 170:sc= -0.0485 USER MOD Single : A 16 LYS NZ :NH3+ -140:sc= -0.111 (180deg=-1.53!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -0.0243 X(o=-0.024,f=-0.024) USER MOD Single : A 26 MET CE :methyl 152:sc= -0.293 (180deg=-1.29!) USER MOD Single : A 28 CYS SG : rot 27:sc= -2.51! USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.0142 K(o=-0.014,f=-1.3) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -0.0224 X(o=-0.022,f=0) USER MOD Single : A 37 GLN : amide:sc= -0.132 X(o=-0.13,f=-0.13) USER MOD Single : A 42 GLN : amide:sc= 0.00505 K(o=0.005,f=-0.86) USER MOD Single : A 46 MET CE :methyl -127:sc= -0.398 (180deg=-2.49) USER MOD Single : A 66 ASN : amide:sc= -3.36! C(o=-3.4!,f=-9.9!) USER MOD Single : A 69 CYS SG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ -156:sc= -0.0797 (180deg=-0.5) USER MOD Single : A 76 ASN : amide:sc= -0.159 X(o=-0.16,f=-0.13) USER MOD ----------------------------------------------------------------- ATOM 66 N MET A 8 -7.798 1.896 -10.525 1.00 0.00 N ATOM 67 CA MET A 8 -6.970 1.573 -9.369 1.00 0.00 C ATOM 68 C MET A 8 -7.835 1.195 -8.170 1.00 0.00 C ATOM 69 O MET A 8 -7.941 0.021 -7.815 1.00 0.00 O ATOM 70 CB MET A 8 -6.071 2.757 -9.010 1.00 0.00 C ATOM 71 CG MET A 8 -4.700 2.700 -9.665 1.00 0.00 C ATOM 72 SD MET A 8 -4.016 4.336 -9.989 1.00 0.00 S ATOM 73 CE MET A 8 -2.743 4.426 -8.732 1.00 0.00 C ATOM 0 HA MET A 8 -6.345 0.718 -9.629 1.00 0.00 H new ATOM 0 HB2 MET A 8 -6.567 3.682 -9.305 1.00 0.00 H new ATOM 0 HB3 MET A 8 -5.946 2.793 -7.928 1.00 0.00 H new ATOM 0 HG2 MET A 8 -4.017 2.146 -9.021 1.00 0.00 H new ATOM 0 HG3 MET A 8 -4.772 2.149 -10.602 1.00 0.00 H new ATOM 0 HE1 MET A 8 -2.228 5.384 -8.804 1.00 0.00 H new ATOM 0 HE2 MET A 8 -3.198 4.331 -7.746 1.00 0.00 H new ATOM 0 HE3 MET A 8 -2.027 3.617 -8.880 1.00 0.00 H new ATOM 83 N ILE A 9 -8.450 2.197 -7.551 1.00 0.00 N ATOM 84 CA ILE A 9 -9.305 1.968 -6.393 1.00 0.00 C ATOM 85 C ILE A 9 -10.268 0.812 -6.640 1.00 0.00 C ATOM 86 O ILE A 9 -10.386 -0.097 -5.818 1.00 0.00 O ATOM 87 CB ILE A 9 -10.115 3.228 -6.034 1.00 0.00 C ATOM 88 CG1 ILE A 9 -9.175 4.390 -5.708 1.00 0.00 C ATOM 89 CG2 ILE A 9 -11.043 2.945 -4.862 1.00 0.00 C ATOM 90 CD1 ILE A 9 -8.781 5.206 -6.919 1.00 0.00 C ATOM 0 H ILE A 9 -8.372 3.175 -7.832 1.00 0.00 H new ATOM 0 HA ILE A 9 -8.648 1.718 -5.560 1.00 0.00 H new ATOM 0 HB ILE A 9 -10.723 3.508 -6.894 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -9.657 5.043 -4.981 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -8.275 3.997 -5.236 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -11.609 3.845 -4.620 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -11.732 2.144 -5.129 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -10.454 2.643 -3.996 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -8.114 6.012 -6.613 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -8.270 4.566 -7.639 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -9.674 5.629 -7.379 1.00 0.00 H new ATOM 102 N ALA A 10 -10.952 0.852 -7.779 1.00 0.00 N ATOM 103 CA ALA A 10 -11.901 -0.195 -8.137 1.00 0.00 C ATOM 104 C ALA A 10 -11.255 -1.574 -8.056 1.00 0.00 C ATOM 105 O ALA A 10 -11.783 -2.481 -7.415 1.00 0.00 O ATOM 106 CB ALA A 10 -12.455 0.050 -9.533 1.00 0.00 C ATOM 0 H ALA A 10 -10.867 1.598 -8.469 1.00 0.00 H new ATOM 0 HA ALA A 10 -12.723 -0.166 -7.422 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -13.162 -0.739 -9.787 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -12.963 1.014 -9.559 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -11.637 0.051 -10.254 1.00 0.00 H new ATOM 112 N ALA A 11 -10.108 -1.724 -8.712 1.00 0.00 N ATOM 113 CA ALA A 11 -9.389 -2.992 -8.713 1.00 0.00 C ATOM 114 C ALA A 11 -8.953 -3.377 -7.303 1.00 0.00 C ATOM 115 O ALA A 11 -9.343 -4.425 -6.787 1.00 0.00 O ATOM 116 CB ALA A 11 -8.183 -2.914 -9.637 1.00 0.00 C ATOM 0 H ALA A 11 -9.657 -0.983 -9.249 1.00 0.00 H new ATOM 0 HA ALA A 11 -10.065 -3.764 -9.080 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -7.655 -3.868 -9.628 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -8.515 -2.693 -10.651 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -7.513 -2.125 -9.295 1.00 0.00 H new ATOM 122 N TYR A 12 -8.143 -2.524 -6.686 1.00 0.00 N ATOM 123 CA TYR A 12 -7.652 -2.777 -5.337 1.00 0.00 C ATOM 124 C TYR A 12 -8.792 -3.185 -4.409 1.00 0.00 C ATOM 125 O TYR A 12 -8.684 -4.162 -3.668 1.00 0.00 O ATOM 126 CB TYR A 12 -6.951 -1.535 -4.785 1.00 0.00 C ATOM 127 CG TYR A 12 -5.647 -1.215 -5.482 1.00 0.00 C ATOM 128 CD1 TYR A 12 -4.722 -2.213 -5.758 1.00 0.00 C ATOM 129 CD2 TYR A 12 -5.342 0.085 -5.865 1.00 0.00 C ATOM 130 CE1 TYR A 12 -3.529 -1.926 -6.394 1.00 0.00 C ATOM 131 CE2 TYR A 12 -4.153 0.382 -6.502 1.00 0.00 C ATOM 132 CZ TYR A 12 -3.250 -0.627 -6.764 1.00 0.00 C ATOM 133 OH TYR A 12 -2.064 -0.337 -7.399 1.00 0.00 O ATOM 0 H TYR A 12 -7.813 -1.652 -7.099 1.00 0.00 H new ATOM 0 HA TYR A 12 -6.937 -3.598 -5.387 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -7.621 -0.680 -4.875 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -6.759 -1.679 -3.722 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -4.939 -3.231 -5.471 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -6.047 0.877 -5.661 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -2.820 -2.714 -6.600 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -3.932 1.398 -6.793 1.00 0.00 H new ATOM 0 HH TYR A 12 -2.023 0.623 -7.593 1.00 0.00 H new ATOM 143 N GLU A 13 -9.885 -2.429 -4.457 1.00 0.00 N ATOM 144 CA GLU A 13 -11.046 -2.712 -3.621 1.00 0.00 C ATOM 145 C GLU A 13 -11.589 -4.110 -3.900 1.00 0.00 C ATOM 146 O GLU A 13 -11.759 -4.915 -2.986 1.00 0.00 O ATOM 147 CB GLU A 13 -12.140 -1.670 -3.861 1.00 0.00 C ATOM 148 CG GLU A 13 -13.124 -1.545 -2.710 1.00 0.00 C ATOM 149 CD GLU A 13 -13.575 -2.892 -2.179 1.00 0.00 C ATOM 150 OE1 GLU A 13 -14.385 -3.556 -2.859 1.00 0.00 O ATOM 151 OE2 GLU A 13 -13.119 -3.282 -1.084 1.00 0.00 O ATOM 0 H GLU A 13 -9.991 -1.617 -5.065 1.00 0.00 H new ATOM 0 HA GLU A 13 -10.732 -2.665 -2.578 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -11.674 -0.700 -4.037 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -12.686 -1.931 -4.768 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -12.663 -0.976 -1.903 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -13.995 -0.979 -3.041 1.00 0.00 H new ATOM 158 N ASN A 14 -11.862 -4.390 -5.170 1.00 0.00 N ATOM 159 CA ASN A 14 -12.387 -5.691 -5.571 1.00 0.00 C ATOM 160 C ASN A 14 -11.476 -6.817 -5.091 1.00 0.00 C ATOM 161 O ASN A 14 -11.900 -7.693 -4.338 1.00 0.00 O ATOM 162 CB ASN A 14 -12.541 -5.756 -7.092 1.00 0.00 C ATOM 163 CG ASN A 14 -13.612 -6.738 -7.523 1.00 0.00 C ATOM 164 OD1 ASN A 14 -13.331 -7.716 -8.216 1.00 0.00 O ATOM 165 ND2 ASN A 14 -14.849 -6.481 -7.115 1.00 0.00 N ATOM 0 H ASN A 14 -11.729 -3.734 -5.939 1.00 0.00 H new ATOM 0 HA ASN A 14 -13.366 -5.818 -5.108 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -12.787 -4.764 -7.472 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -11.589 -6.042 -7.539 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -15.612 -7.106 -7.375 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -15.036 -5.658 -6.542 1.00 0.00 H new ATOM 172 N SER A 15 -10.224 -6.786 -5.534 1.00 0.00 N ATOM 173 CA SER A 15 -9.253 -7.806 -5.153 1.00 0.00 C ATOM 174 C SER A 15 -9.274 -8.039 -3.646 1.00 0.00 C ATOM 175 O SER A 15 -9.632 -7.151 -2.872 1.00 0.00 O ATOM 176 CB SER A 15 -7.848 -7.394 -5.598 1.00 0.00 C ATOM 177 OG SER A 15 -7.037 -8.530 -5.842 1.00 0.00 O ATOM 0 H SER A 15 -9.857 -6.066 -6.157 1.00 0.00 H new ATOM 0 HA SER A 15 -9.525 -8.737 -5.651 1.00 0.00 H new ATOM 0 HB2 SER A 15 -7.912 -6.788 -6.502 1.00 0.00 H new ATOM 0 HB3 SER A 15 -7.387 -6.773 -4.830 1.00 0.00 H new ATOM 0 HG SER A 15 -6.204 -8.250 -6.276 1.00 0.00 H new ATOM 183 N LYS A 16 -8.888 -9.242 -3.235 1.00 0.00 N ATOM 184 CA LYS A 16 -8.860 -9.596 -1.820 1.00 0.00 C ATOM 185 C LYS A 16 -7.425 -9.742 -1.324 1.00 0.00 C ATOM 186 O LYS A 16 -6.530 -10.110 -2.085 1.00 0.00 O ATOM 187 CB LYS A 16 -9.628 -10.899 -1.584 1.00 0.00 C ATOM 188 CG LYS A 16 -9.030 -12.096 -2.303 1.00 0.00 C ATOM 189 CD LYS A 16 -9.542 -13.405 -1.726 1.00 0.00 C ATOM 190 CE LYS A 16 -10.937 -13.731 -2.237 1.00 0.00 C ATOM 191 NZ LYS A 16 -11.991 -13.014 -1.468 1.00 0.00 N ATOM 0 H LYS A 16 -8.590 -9.989 -3.862 1.00 0.00 H new ATOM 0 HA LYS A 16 -9.339 -8.793 -1.260 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -9.657 -11.105 -0.514 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -10.659 -10.767 -1.911 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -9.275 -12.044 -3.364 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -7.943 -12.063 -2.225 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -8.859 -14.212 -1.990 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -9.557 -13.343 -0.638 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -11.010 -13.462 -3.291 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -11.106 -14.806 -2.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -12.800 -13.649 -1.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -11.607 -12.713 -0.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -12.304 -12.179 -2.003 1.00 0.00 H new ATOM 205 N TRP A 17 -7.214 -9.453 -0.045 1.00 0.00 N ATOM 206 CA TRP A 17 -5.887 -9.554 0.552 1.00 0.00 C ATOM 207 C TRP A 17 -5.164 -10.803 0.063 1.00 0.00 C ATOM 208 O TRP A 17 -5.794 -11.813 -0.250 1.00 0.00 O ATOM 209 CB TRP A 17 -5.993 -9.574 2.078 1.00 0.00 C ATOM 210 CG TRP A 17 -4.662 -9.641 2.765 1.00 0.00 C ATOM 211 CD1 TRP A 17 -3.876 -8.586 3.132 1.00 0.00 C ATOM 212 CD2 TRP A 17 -3.962 -10.824 3.164 1.00 0.00 C ATOM 213 NE1 TRP A 17 -2.729 -9.043 3.735 1.00 0.00 N ATOM 214 CE2 TRP A 17 -2.759 -10.412 3.768 1.00 0.00 C ATOM 215 CE3 TRP A 17 -4.236 -12.191 3.073 1.00 0.00 C ATOM 216 CZ2 TRP A 17 -1.832 -11.319 4.276 1.00 0.00 C ATOM 217 CZ3 TRP A 17 -3.316 -13.090 3.576 1.00 0.00 C ATOM 218 CH2 TRP A 17 -2.126 -12.651 4.172 1.00 0.00 C ATOM 0 H TRP A 17 -7.944 -9.147 0.598 1.00 0.00 H new ATOM 0 HA TRP A 17 -5.310 -8.681 0.246 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -6.521 -8.680 2.410 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -6.594 -10.431 2.382 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -4.120 -7.546 2.972 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -1.977 -8.458 4.099 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -5.151 -12.539 2.617 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -0.914 -10.983 4.735 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -3.517 -14.149 3.509 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -1.427 -13.379 4.557 1.00 0.00 H new ATOM 229 N GLU A 18 -3.838 -10.728 0.001 1.00 0.00 N ATOM 230 CA GLU A 18 -3.030 -11.855 -0.451 1.00 0.00 C ATOM 231 C GLU A 18 -1.706 -11.913 0.306 1.00 0.00 C ATOM 232 O GLU A 18 -1.048 -10.898 0.535 1.00 0.00 O ATOM 233 CB GLU A 18 -2.767 -11.752 -1.954 1.00 0.00 C ATOM 234 CG GLU A 18 -2.094 -12.982 -2.540 1.00 0.00 C ATOM 235 CD GLU A 18 -3.064 -14.125 -2.768 1.00 0.00 C ATOM 236 OE1 GLU A 18 -4.279 -13.857 -2.884 1.00 0.00 O ATOM 237 OE2 GLU A 18 -2.610 -15.286 -2.831 1.00 0.00 O ATOM 0 H GLU A 18 -3.301 -9.900 0.258 1.00 0.00 H new ATOM 0 HA GLU A 18 -3.585 -12.771 -0.249 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.713 -11.586 -2.469 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -2.142 -10.880 -2.146 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -1.622 -12.717 -3.486 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.301 -13.312 -1.869 1.00 0.00 H new ATOM 244 N PRO A 19 -1.306 -13.130 0.704 1.00 0.00 N ATOM 245 CA PRO A 19 -0.058 -13.351 1.441 1.00 0.00 C ATOM 246 C PRO A 19 1.175 -13.121 0.574 1.00 0.00 C ATOM 247 O PRO A 19 1.634 -14.026 -0.123 1.00 0.00 O ATOM 248 CB PRO A 19 -0.150 -14.820 1.862 1.00 0.00 C ATOM 249 CG PRO A 19 -1.051 -15.447 0.855 1.00 0.00 C ATOM 250 CD PRO A 19 -2.041 -14.384 0.466 1.00 0.00 C ATOM 0 HA PRO A 19 0.050 -12.660 2.277 1.00 0.00 H new ATOM 0 HB2 PRO A 19 0.832 -15.293 1.864 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -0.553 -14.918 2.870 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -0.487 -15.791 -0.012 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -1.557 -16.317 1.273 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -2.345 -14.480 -0.576 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -2.947 -14.439 1.069 1.00 0.00 H new ATOM 258 N VAL A 20 1.709 -11.905 0.623 1.00 0.00 N ATOM 259 CA VAL A 20 2.891 -11.557 -0.157 1.00 0.00 C ATOM 260 C VAL A 20 3.981 -10.966 0.730 1.00 0.00 C ATOM 261 O VAL A 20 3.714 -10.110 1.574 1.00 0.00 O ATOM 262 CB VAL A 20 2.551 -10.550 -1.273 1.00 0.00 C ATOM 263 CG1 VAL A 20 1.864 -9.323 -0.693 1.00 0.00 C ATOM 264 CG2 VAL A 20 3.807 -10.158 -2.036 1.00 0.00 C ATOM 0 H VAL A 20 1.342 -11.144 1.195 1.00 0.00 H new ATOM 0 HA VAL A 20 3.255 -12.480 -0.609 1.00 0.00 H new ATOM 0 HB VAL A 20 1.863 -11.026 -1.972 1.00 0.00 H new ATOM 0 HG11 VAL A 20 1.631 -8.623 -1.495 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.942 -9.623 -0.195 1.00 0.00 H new ATOM 0 HG13 VAL A 20 2.526 -8.842 0.028 1.00 0.00 H new ATOM 0 HG21 VAL A 20 3.549 -9.446 -2.820 1.00 0.00 H new ATOM 0 HG22 VAL A 20 4.521 -9.700 -1.351 1.00 0.00 H new ATOM 0 HG23 VAL A 20 4.253 -11.046 -2.484 1.00 0.00 H new ATOM 274 N LYS A 21 5.211 -11.429 0.534 1.00 0.00 N ATOM 275 CA LYS A 21 6.344 -10.946 1.315 1.00 0.00 C ATOM 276 C LYS A 21 6.834 -9.601 0.788 1.00 0.00 C ATOM 277 O LYS A 21 7.385 -9.518 -0.310 1.00 0.00 O ATOM 278 CB LYS A 21 7.484 -11.966 1.281 1.00 0.00 C ATOM 279 CG LYS A 21 8.500 -11.779 2.395 1.00 0.00 C ATOM 280 CD LYS A 21 9.541 -12.887 2.392 1.00 0.00 C ATOM 281 CE LYS A 21 9.009 -14.152 3.048 1.00 0.00 C ATOM 282 NZ LYS A 21 10.097 -15.130 3.328 1.00 0.00 N ATOM 0 H LYS A 21 5.449 -12.138 -0.159 1.00 0.00 H new ATOM 0 HA LYS A 21 6.014 -10.814 2.345 1.00 0.00 H new ATOM 0 HB2 LYS A 21 7.064 -12.970 1.348 1.00 0.00 H new ATOM 0 HB3 LYS A 21 7.994 -11.897 0.320 1.00 0.00 H new ATOM 0 HG2 LYS A 21 8.994 -10.814 2.280 1.00 0.00 H new ATOM 0 HG3 LYS A 21 7.988 -11.762 3.357 1.00 0.00 H new ATOM 0 HD2 LYS A 21 9.839 -13.105 1.366 1.00 0.00 H new ATOM 0 HD3 LYS A 21 10.434 -12.550 2.919 1.00 0.00 H new ATOM 0 HE2 LYS A 21 8.504 -13.894 3.979 1.00 0.00 H new ATOM 0 HE3 LYS A 21 8.265 -14.613 2.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 9.695 -15.978 3.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 10.563 -15.396 2.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 10.795 -14.699 3.968 1.00 0.00 H new ATOM 296 N TRP A 22 6.632 -8.553 1.577 1.00 0.00 N ATOM 297 CA TRP A 22 7.055 -7.212 1.189 1.00 0.00 C ATOM 298 C TRP A 22 8.568 -7.064 1.306 1.00 0.00 C ATOM 299 O TRP A 22 9.140 -7.272 2.376 1.00 0.00 O ATOM 300 CB TRP A 22 6.359 -6.164 2.059 1.00 0.00 C ATOM 301 CG TRP A 22 4.888 -6.055 1.795 1.00 0.00 C ATOM 302 CD1 TRP A 22 3.876 -6.344 2.665 1.00 0.00 C ATOM 303 CD2 TRP A 22 4.265 -5.630 0.578 1.00 0.00 C ATOM 304 NE1 TRP A 22 2.661 -6.123 2.063 1.00 0.00 N ATOM 305 CE2 TRP A 22 2.872 -5.684 0.783 1.00 0.00 C ATOM 306 CE3 TRP A 22 4.747 -5.206 -0.663 1.00 0.00 C ATOM 307 CZ2 TRP A 22 1.960 -5.332 -0.209 1.00 0.00 C ATOM 308 CZ3 TRP A 22 3.841 -4.857 -1.646 1.00 0.00 C ATOM 309 CH2 TRP A 22 2.460 -4.921 -1.415 1.00 0.00 C ATOM 0 H TRP A 22 6.178 -8.605 2.489 1.00 0.00 H new ATOM 0 HA TRP A 22 6.773 -7.055 0.148 1.00 0.00 H new ATOM 0 HB2 TRP A 22 6.515 -6.412 3.109 1.00 0.00 H new ATOM 0 HB3 TRP A 22 6.824 -5.193 1.888 1.00 0.00 H new ATOM 0 HD1 TRP A 22 4.011 -6.695 3.678 1.00 0.00 H new ATOM 0 HE1 TRP A 22 1.749 -6.263 2.499 1.00 0.00 H new ATOM 0 HE3 TRP A 22 5.809 -5.152 -0.851 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 0.896 -5.382 -0.033 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 4.203 -4.529 -2.609 1.00 0.00 H new ATOM 0 HH2 TRP A 22 1.777 -4.641 -2.204 1.00 0.00 H new ATOM 320 N GLU A 23 9.211 -6.703 0.200 1.00 0.00 N ATOM 321 CA GLU A 23 10.658 -6.528 0.180 1.00 0.00 C ATOM 322 C GLU A 23 11.027 -5.048 0.124 1.00 0.00 C ATOM 323 O GLU A 23 10.271 -4.229 -0.396 1.00 0.00 O ATOM 324 CB GLU A 23 11.267 -7.262 -1.016 1.00 0.00 C ATOM 325 CG GLU A 23 11.078 -8.769 -0.966 1.00 0.00 C ATOM 326 CD GLU A 23 11.467 -9.449 -2.265 1.00 0.00 C ATOM 327 OE1 GLU A 23 12.640 -9.325 -2.672 1.00 0.00 O ATOM 328 OE2 GLU A 23 10.596 -10.105 -2.873 1.00 0.00 O ATOM 0 H GLU A 23 8.752 -6.526 -0.694 1.00 0.00 H new ATOM 0 HA GLU A 23 11.061 -6.951 1.100 1.00 0.00 H new ATOM 0 HB2 GLU A 23 10.820 -6.878 -1.933 1.00 0.00 H new ATOM 0 HB3 GLU A 23 12.333 -7.039 -1.064 1.00 0.00 H new ATOM 0 HG2 GLU A 23 11.676 -9.180 -0.152 1.00 0.00 H new ATOM 0 HG3 GLU A 23 10.035 -8.993 -0.741 1.00 0.00 H new ATOM 335 N ASN A 24 12.194 -4.714 0.665 1.00 0.00 N ATOM 336 CA ASN A 24 12.663 -3.333 0.679 1.00 0.00 C ATOM 337 C ASN A 24 12.823 -2.800 -0.742 1.00 0.00 C ATOM 338 O ASN A 24 13.231 -3.527 -1.647 1.00 0.00 O ATOM 339 CB ASN A 24 13.995 -3.232 1.426 1.00 0.00 C ATOM 340 CG ASN A 24 13.906 -3.773 2.840 1.00 0.00 C ATOM 341 OD1 ASN A 24 14.636 -4.691 3.212 1.00 0.00 O ATOM 342 ND2 ASN A 24 13.008 -3.203 3.636 1.00 0.00 N ATOM 0 H ASN A 24 12.832 -5.381 1.099 1.00 0.00 H new ATOM 0 HA ASN A 24 11.918 -2.727 1.195 1.00 0.00 H new ATOM 0 HB2 ASN A 24 14.759 -3.782 0.877 1.00 0.00 H new ATOM 0 HB3 ASN A 24 14.313 -2.190 1.458 1.00 0.00 H new ATOM 0 HD21 ASN A 24 12.903 -3.524 4.598 1.00 0.00 H new ATOM 0 HD22 ASN A 24 12.424 -2.444 3.285 1.00 0.00 H new ATOM 349 N ASP A 25 12.499 -1.525 -0.928 1.00 0.00 N ATOM 350 CA ASP A 25 12.608 -0.892 -2.238 1.00 0.00 C ATOM 351 C ASP A 25 11.536 -1.419 -3.187 1.00 0.00 C ATOM 352 O ASP A 25 11.828 -1.789 -4.324 1.00 0.00 O ATOM 353 CB ASP A 25 13.996 -1.135 -2.831 1.00 0.00 C ATOM 354 CG ASP A 25 14.351 -0.127 -3.907 1.00 0.00 C ATOM 355 OD1 ASP A 25 13.755 0.971 -3.911 1.00 0.00 O ATOM 356 OD2 ASP A 25 15.224 -0.436 -4.745 1.00 0.00 O ATOM 0 H ASP A 25 12.159 -0.910 -0.189 1.00 0.00 H new ATOM 0 HA ASP A 25 12.459 0.180 -2.110 1.00 0.00 H new ATOM 0 HB2 ASP A 25 14.740 -1.091 -2.036 1.00 0.00 H new ATOM 0 HB3 ASP A 25 14.038 -2.140 -3.251 1.00 0.00 H new ATOM 361 N MET A 26 10.296 -1.452 -2.711 1.00 0.00 N ATOM 362 CA MET A 26 9.180 -1.934 -3.517 1.00 0.00 C ATOM 363 C MET A 26 8.040 -0.921 -3.529 1.00 0.00 C ATOM 364 O MET A 26 8.032 0.028 -2.744 1.00 0.00 O ATOM 365 CB MET A 26 8.680 -3.277 -2.983 1.00 0.00 C ATOM 366 CG MET A 26 9.378 -4.476 -3.603 1.00 0.00 C ATOM 367 SD MET A 26 8.498 -6.022 -3.306 1.00 0.00 S ATOM 368 CE MET A 26 6.943 -5.691 -4.131 1.00 0.00 C ATOM 0 H MET A 26 10.038 -1.151 -1.771 1.00 0.00 H new ATOM 0 HA MET A 26 9.534 -2.067 -4.539 1.00 0.00 H new ATOM 0 HB2 MET A 26 8.821 -3.304 -1.902 1.00 0.00 H new ATOM 0 HB3 MET A 26 7.609 -3.356 -3.167 1.00 0.00 H new ATOM 0 HG2 MET A 26 9.476 -4.319 -4.677 1.00 0.00 H new ATOM 0 HG3 MET A 26 10.387 -4.553 -3.198 1.00 0.00 H new ATOM 0 HE1 MET A 26 6.507 -6.629 -4.476 1.00 0.00 H new ATOM 0 HE2 MET A 26 6.258 -5.207 -3.435 1.00 0.00 H new ATOM 0 HE3 MET A 26 7.116 -5.036 -4.985 1.00 0.00 H new ATOM 378 N HIS A 27 7.080 -1.128 -4.424 1.00 0.00 N ATOM 379 CA HIS A 27 5.934 -0.232 -4.537 1.00 0.00 C ATOM 380 C HIS A 27 4.634 -0.972 -4.237 1.00 0.00 C ATOM 381 O HIS A 27 4.502 -2.159 -4.534 1.00 0.00 O ATOM 382 CB HIS A 27 5.875 0.380 -5.938 1.00 0.00 C ATOM 383 CG HIS A 27 6.882 1.465 -6.160 1.00 0.00 C ATOM 384 ND1 HIS A 27 6.864 2.294 -7.262 1.00 0.00 N ATOM 385 CD2 HIS A 27 7.941 1.857 -5.414 1.00 0.00 C ATOM 386 CE1 HIS A 27 7.870 3.147 -7.185 1.00 0.00 C ATOM 387 NE2 HIS A 27 8.539 2.903 -6.073 1.00 0.00 N ATOM 0 H HIS A 27 7.072 -1.908 -5.082 1.00 0.00 H new ATOM 0 HA HIS A 27 6.054 0.566 -3.804 1.00 0.00 H new ATOM 0 HB2 HIS A 27 6.032 -0.407 -6.676 1.00 0.00 H new ATOM 0 HB3 HIS A 27 4.876 0.782 -6.108 1.00 0.00 H new ATOM 0 HD2 HIS A 27 8.257 1.427 -4.475 1.00 0.00 H new ATOM 0 HE1 HIS A 27 8.105 3.914 -7.909 1.00 0.00 H new ATOM 0 HE2 HIS A 27 9.366 3.409 -5.755 1.00 0.00 H new ATOM 395 N CYS A 28 3.679 -0.263 -3.646 1.00 0.00 N ATOM 396 CA CYS A 28 2.389 -0.853 -3.304 1.00 0.00 C ATOM 397 C CYS A 28 1.351 0.231 -3.030 1.00 0.00 C ATOM 398 O CYS A 28 1.695 1.391 -2.806 1.00 0.00 O ATOM 399 CB CYS A 28 2.530 -1.762 -2.082 1.00 0.00 C ATOM 400 SG CYS A 28 3.357 -0.986 -0.675 1.00 0.00 S ATOM 0 H CYS A 28 3.773 0.721 -3.394 1.00 0.00 H new ATOM 0 HA CYS A 28 2.051 -1.447 -4.153 1.00 0.00 H new ATOM 0 HB2 CYS A 28 1.538 -2.090 -1.771 1.00 0.00 H new ATOM 0 HB3 CYS A 28 3.086 -2.655 -2.369 1.00 0.00 H new ATOM 0 HG CYS A 28 3.180 0.301 -0.723 1.00 0.00 H new ATOM 406 N ALA A 29 0.080 -0.157 -3.050 1.00 0.00 N ATOM 407 CA ALA A 29 -1.008 0.781 -2.804 1.00 0.00 C ATOM 408 C ALA A 29 -1.638 0.544 -1.435 1.00 0.00 C ATOM 409 O ALA A 29 -2.077 -0.564 -1.127 1.00 0.00 O ATOM 410 CB ALA A 29 -2.059 0.669 -3.898 1.00 0.00 C ATOM 0 H ALA A 29 -0.221 -1.114 -3.234 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.595 1.790 -2.815 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -2.866 1.375 -3.701 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -1.605 0.896 -4.863 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -2.460 -0.344 -3.915 1.00 0.00 H new ATOM 416 N VAL A 30 -1.679 1.591 -0.618 1.00 0.00 N ATOM 417 CA VAL A 30 -2.256 1.496 0.718 1.00 0.00 C ATOM 418 C VAL A 30 -3.554 2.289 0.813 1.00 0.00 C ATOM 419 O VAL A 30 -3.660 3.396 0.284 1.00 0.00 O ATOM 420 CB VAL A 30 -1.275 2.007 1.790 1.00 0.00 C ATOM 421 CG1 VAL A 30 -0.833 3.429 1.476 1.00 0.00 C ATOM 422 CG2 VAL A 30 -1.909 1.931 3.171 1.00 0.00 C ATOM 0 H VAL A 30 -1.320 2.515 -0.857 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.464 0.442 0.899 1.00 0.00 H new ATOM 0 HB VAL A 30 -0.392 1.368 1.784 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -0.140 3.773 2.244 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.338 3.450 0.505 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.704 4.084 1.453 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.202 2.296 3.916 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -2.809 2.546 3.193 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -2.171 0.897 3.395 1.00 0.00 H new ATOM 432 N LYS A 31 -4.542 1.717 1.492 1.00 0.00 N ATOM 433 CA LYS A 31 -5.835 2.369 1.660 1.00 0.00 C ATOM 434 C LYS A 31 -5.839 3.258 2.900 1.00 0.00 C ATOM 435 O LYS A 31 -5.676 2.776 4.021 1.00 0.00 O ATOM 436 CB LYS A 31 -6.948 1.324 1.765 1.00 0.00 C ATOM 437 CG LYS A 31 -8.340 1.894 1.558 1.00 0.00 C ATOM 438 CD LYS A 31 -9.406 0.818 1.671 1.00 0.00 C ATOM 439 CE LYS A 31 -9.667 0.443 3.122 1.00 0.00 C ATOM 440 NZ LYS A 31 -11.069 -0.014 3.334 1.00 0.00 N ATOM 0 H LYS A 31 -4.472 0.801 1.936 1.00 0.00 H new ATOM 0 HA LYS A 31 -6.014 2.994 0.785 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -6.771 0.542 1.026 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -6.900 0.852 2.746 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -8.529 2.673 2.297 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -8.399 2.364 0.576 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -10.330 1.170 1.213 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -9.092 -0.066 1.116 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -8.978 -0.347 3.422 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -9.465 1.302 3.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -11.206 -0.260 4.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -11.726 0.748 3.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -11.255 -0.850 2.743 1.00 0.00 H new ATOM 454 N ILE A 32 -6.028 4.557 2.691 1.00 0.00 N ATOM 455 CA ILE A 32 -6.057 5.511 3.792 1.00 0.00 C ATOM 456 C ILE A 32 -7.348 5.388 4.593 1.00 0.00 C ATOM 457 O ILE A 32 -8.433 5.270 4.024 1.00 0.00 O ATOM 458 CB ILE A 32 -5.915 6.959 3.286 1.00 0.00 C ATOM 459 CG1 ILE A 32 -4.607 7.125 2.510 1.00 0.00 C ATOM 460 CG2 ILE A 32 -5.973 7.935 4.452 1.00 0.00 C ATOM 461 CD1 ILE A 32 -4.497 8.449 1.787 1.00 0.00 C ATOM 0 H ILE A 32 -6.163 4.972 1.769 1.00 0.00 H new ATOM 0 HA ILE A 32 -5.210 5.275 4.436 1.00 0.00 H new ATOM 0 HB ILE A 32 -6.745 7.177 2.613 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -3.769 7.027 3.201 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -4.519 6.316 1.785 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -5.871 8.954 4.079 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -6.928 7.831 4.967 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -5.161 7.720 5.147 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -3.545 8.497 1.259 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -5.314 8.542 1.072 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -4.553 9.264 2.509 1.00 0.00 H new ATOM 473 N GLN A 33 -7.223 5.419 5.916 1.00 0.00 N ATOM 474 CA GLN A 33 -8.382 5.313 6.795 1.00 0.00 C ATOM 475 C GLN A 33 -9.109 6.649 6.901 1.00 0.00 C ATOM 476 O GLN A 33 -10.336 6.707 6.819 1.00 0.00 O ATOM 477 CB GLN A 33 -7.952 4.841 8.185 1.00 0.00 C ATOM 478 CG GLN A 33 -6.992 5.792 8.881 1.00 0.00 C ATOM 479 CD GLN A 33 -6.407 5.206 10.150 1.00 0.00 C ATOM 480 OE1 GLN A 33 -6.442 3.993 10.361 1.00 0.00 O ATOM 481 NE2 GLN A 33 -5.865 6.066 11.005 1.00 0.00 N ATOM 0 H GLN A 33 -6.332 5.517 6.402 1.00 0.00 H new ATOM 0 HA GLN A 33 -9.066 4.581 6.366 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -8.838 4.714 8.807 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -7.481 3.862 8.097 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -6.183 6.050 8.198 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -7.514 6.718 9.120 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -5.858 7.063 10.790 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -5.456 5.729 11.877 1.00 0.00 H new ATOM 490 N ASP A 34 -8.345 7.720 7.084 1.00 0.00 N ATOM 491 CA ASP A 34 -8.917 9.056 7.201 1.00 0.00 C ATOM 492 C ASP A 34 -9.715 9.417 5.952 1.00 0.00 C ATOM 493 O ASP A 34 -10.874 9.823 6.038 1.00 0.00 O ATOM 494 CB ASP A 34 -7.812 10.089 7.431 1.00 0.00 C ATOM 495 CG ASP A 34 -7.391 10.172 8.885 1.00 0.00 C ATOM 496 OD1 ASP A 34 -7.562 9.169 9.610 1.00 0.00 O ATOM 497 OD2 ASP A 34 -6.891 11.239 9.299 1.00 0.00 O ATOM 0 H ASP A 34 -7.328 7.689 7.155 1.00 0.00 H new ATOM 0 HA ASP A 34 -9.593 9.061 8.056 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -6.947 9.834 6.819 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -8.159 11.068 7.100 1.00 0.00 H new ATOM 502 N LYS A 35 -9.086 9.268 4.791 1.00 0.00 N ATOM 503 CA LYS A 35 -9.736 9.577 3.523 1.00 0.00 C ATOM 504 C LYS A 35 -10.279 8.312 2.867 1.00 0.00 C ATOM 505 O LYS A 35 -10.194 7.223 3.433 1.00 0.00 O ATOM 506 CB LYS A 35 -8.753 10.272 2.578 1.00 0.00 C ATOM 507 CG LYS A 35 -8.313 11.644 3.060 1.00 0.00 C ATOM 508 CD LYS A 35 -7.089 11.555 3.956 1.00 0.00 C ATOM 509 CE LYS A 35 -6.462 12.922 4.180 1.00 0.00 C ATOM 510 NZ LYS A 35 -7.362 13.827 4.947 1.00 0.00 N ATOM 0 H LYS A 35 -8.126 8.935 4.702 1.00 0.00 H new ATOM 0 HA LYS A 35 -10.571 10.247 3.726 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -7.873 9.640 2.454 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -9.215 10.372 1.596 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -8.091 12.278 2.202 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -9.130 12.118 3.604 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -7.370 11.121 4.915 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -6.355 10.886 3.506 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -5.521 12.806 4.717 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -6.226 13.375 3.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -6.898 14.748 5.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -8.251 13.959 4.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -7.567 13.407 5.876 1.00 0.00 H new ATOM 524 N ASN A 36 -10.836 8.464 1.670 1.00 0.00 N ATOM 525 CA ASN A 36 -11.393 7.332 0.936 1.00 0.00 C ATOM 526 C ASN A 36 -10.689 7.155 -0.405 1.00 0.00 C ATOM 527 O ASN A 36 -11.315 6.794 -1.402 1.00 0.00 O ATOM 528 CB ASN A 36 -12.894 7.529 0.716 1.00 0.00 C ATOM 529 CG ASN A 36 -13.598 8.044 1.956 1.00 0.00 C ATOM 530 OD1 ASN A 36 -14.054 7.265 2.793 1.00 0.00 O ATOM 531 ND2 ASN A 36 -13.690 9.363 2.080 1.00 0.00 N ATOM 0 H ASN A 36 -10.914 9.359 1.187 1.00 0.00 H new ATOM 0 HA ASN A 36 -11.236 6.432 1.530 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -13.049 8.230 -0.104 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -13.342 6.582 0.415 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -14.153 9.768 2.894 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -13.298 9.971 1.362 1.00 0.00 H new ATOM 538 N GLN A 37 -9.385 7.410 -0.422 1.00 0.00 N ATOM 539 CA GLN A 37 -8.596 7.278 -1.641 1.00 0.00 C ATOM 540 C GLN A 37 -7.525 6.204 -1.484 1.00 0.00 C ATOM 541 O GLN A 37 -7.398 5.592 -0.423 1.00 0.00 O ATOM 542 CB GLN A 37 -7.945 8.615 -2.000 1.00 0.00 C ATOM 543 CG GLN A 37 -8.855 9.541 -2.791 1.00 0.00 C ATOM 544 CD GLN A 37 -9.167 9.009 -4.176 1.00 0.00 C ATOM 545 OE1 GLN A 37 -10.285 8.570 -4.447 1.00 0.00 O ATOM 546 NE2 GLN A 37 -8.178 9.045 -5.062 1.00 0.00 N ATOM 0 H GLN A 37 -8.852 7.709 0.395 1.00 0.00 H new ATOM 0 HA GLN A 37 -9.267 6.980 -2.447 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -7.637 9.118 -1.083 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -7.041 8.426 -2.579 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -9.786 9.685 -2.243 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -8.383 10.520 -2.880 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -7.267 9.417 -4.794 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -8.330 8.700 -6.010 1.00 0.00 H new ATOM 555 N TRP A 38 -6.758 5.981 -2.544 1.00 0.00 N ATOM 556 CA TRP A 38 -5.698 4.979 -2.523 1.00 0.00 C ATOM 557 C TRP A 38 -4.355 5.600 -2.895 1.00 0.00 C ATOM 558 O TRP A 38 -4.137 5.988 -4.042 1.00 0.00 O ATOM 559 CB TRP A 38 -6.028 3.836 -3.485 1.00 0.00 C ATOM 560 CG TRP A 38 -6.991 2.839 -2.914 1.00 0.00 C ATOM 561 CD1 TRP A 38 -8.354 2.923 -2.914 1.00 0.00 C ATOM 562 CD2 TRP A 38 -6.662 1.611 -2.257 1.00 0.00 C ATOM 563 NE1 TRP A 38 -8.892 1.820 -2.297 1.00 0.00 N ATOM 564 CE2 TRP A 38 -7.876 0.999 -1.886 1.00 0.00 C ATOM 565 CE3 TRP A 38 -5.461 0.966 -1.947 1.00 0.00 C ATOM 566 CZ2 TRP A 38 -7.920 -0.224 -1.221 1.00 0.00 C ATOM 567 CZ3 TRP A 38 -5.507 -0.247 -1.287 1.00 0.00 C ATOM 568 CH2 TRP A 38 -6.730 -0.832 -0.931 1.00 0.00 C ATOM 0 H TRP A 38 -6.850 6.480 -3.429 1.00 0.00 H new ATOM 0 HA TRP A 38 -5.627 4.583 -1.510 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -6.447 4.251 -4.402 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -5.106 3.324 -3.760 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -8.925 3.737 -3.337 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -9.888 1.641 -2.166 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -4.514 1.408 -2.219 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -8.861 -0.676 -0.944 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -4.585 -0.753 -1.041 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -6.733 -1.782 -0.417 1.00 0.00 H new ATOM 579 N ARG A 39 -3.460 5.691 -1.917 1.00 0.00 N ATOM 580 CA ARG A 39 -2.139 6.266 -2.142 1.00 0.00 C ATOM 581 C ARG A 39 -1.066 5.181 -2.138 1.00 0.00 C ATOM 582 O ARG A 39 -1.095 4.268 -1.312 1.00 0.00 O ATOM 583 CB ARG A 39 -1.826 7.312 -1.071 1.00 0.00 C ATOM 584 CG ARG A 39 -2.320 8.706 -1.419 1.00 0.00 C ATOM 585 CD ARG A 39 -1.268 9.497 -2.180 1.00 0.00 C ATOM 586 NE ARG A 39 -1.866 10.480 -3.080 1.00 0.00 N ATOM 587 CZ ARG A 39 -2.361 11.644 -2.673 1.00 0.00 C ATOM 588 NH1 ARG A 39 -2.328 11.969 -1.388 1.00 0.00 N ATOM 589 NH2 ARG A 39 -2.889 12.485 -3.552 1.00 0.00 N ATOM 0 H ARG A 39 -3.625 5.374 -0.962 1.00 0.00 H new ATOM 0 HA ARG A 39 -2.141 6.747 -3.120 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -2.277 7.001 -0.129 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -0.748 7.347 -0.913 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -3.226 8.632 -2.020 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -2.586 9.237 -0.505 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -0.614 10.005 -1.471 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -0.645 8.812 -2.754 1.00 0.00 H new ATOM 0 HE ARG A 39 -1.906 10.261 -4.075 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -1.922 11.325 -0.709 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -2.709 12.863 -1.078 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -2.915 12.239 -4.541 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -3.269 13.378 -3.239 1.00 0.00 H new ATOM 603 N ARG A 40 -0.121 5.287 -3.066 1.00 0.00 N ATOM 604 CA ARG A 40 0.960 4.314 -3.170 1.00 0.00 C ATOM 605 C ARG A 40 2.180 4.770 -2.374 1.00 0.00 C ATOM 606 O ARG A 40 2.469 5.962 -2.290 1.00 0.00 O ATOM 607 CB ARG A 40 1.345 4.103 -4.636 1.00 0.00 C ATOM 608 CG ARG A 40 1.125 5.329 -5.507 1.00 0.00 C ATOM 609 CD ARG A 40 2.033 5.316 -6.726 1.00 0.00 C ATOM 610 NE ARG A 40 1.538 6.190 -7.786 1.00 0.00 N ATOM 611 CZ ARG A 40 1.583 7.517 -7.726 1.00 0.00 C ATOM 612 NH1 ARG A 40 2.097 8.118 -6.662 1.00 0.00 N ATOM 613 NH2 ARG A 40 1.112 8.244 -8.731 1.00 0.00 N ATOM 0 H ARG A 40 -0.082 6.037 -3.757 1.00 0.00 H new ATOM 0 HA ARG A 40 0.607 3.370 -2.754 1.00 0.00 H new ATOM 0 HB2 ARG A 40 2.395 3.814 -4.689 1.00 0.00 H new ATOM 0 HB3 ARG A 40 0.765 3.273 -5.039 1.00 0.00 H new ATOM 0 HG2 ARG A 40 0.084 5.367 -5.828 1.00 0.00 H new ATOM 0 HG3 ARG A 40 1.311 6.230 -4.923 1.00 0.00 H new ATOM 0 HD2 ARG A 40 3.035 5.631 -6.435 1.00 0.00 H new ATOM 0 HD3 ARG A 40 2.116 4.297 -7.105 1.00 0.00 H new ATOM 0 HE ARG A 40 1.136 5.758 -8.618 1.00 0.00 H new ATOM 0 HH11 ARG A 40 2.459 7.562 -5.887 1.00 0.00 H new ATOM 0 HH12 ARG A 40 2.131 9.137 -6.618 1.00 0.00 H new ATOM 0 HH21 ARG A 40 0.715 7.785 -9.551 1.00 0.00 H new ATOM 0 HH22 ARG A 40 1.147 9.262 -8.684 1.00 0.00 H new ATOM 627 N GLY A 41 2.892 3.810 -1.791 1.00 0.00 N ATOM 628 CA GLY A 41 4.071 4.132 -1.009 1.00 0.00 C ATOM 629 C GLY A 41 5.242 3.222 -1.324 1.00 0.00 C ATOM 630 O GLY A 41 5.097 2.248 -2.062 1.00 0.00 O ATOM 0 H GLY A 41 2.673 2.815 -1.847 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.358 5.166 -1.198 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.831 4.057 0.052 1.00 0.00 H new ATOM 634 N GLN A 42 6.404 3.542 -0.764 1.00 0.00 N ATOM 635 CA GLN A 42 7.605 2.747 -0.992 1.00 0.00 C ATOM 636 C GLN A 42 7.989 1.968 0.262 1.00 0.00 C ATOM 637 O GLN A 42 8.209 2.552 1.323 1.00 0.00 O ATOM 638 CB GLN A 42 8.765 3.647 -1.422 1.00 0.00 C ATOM 639 CG GLN A 42 9.906 2.894 -2.085 1.00 0.00 C ATOM 640 CD GLN A 42 11.014 3.813 -2.560 1.00 0.00 C ATOM 641 OE1 GLN A 42 10.803 5.010 -2.754 1.00 0.00 O ATOM 642 NE2 GLN A 42 12.205 3.256 -2.750 1.00 0.00 N ATOM 0 H GLN A 42 6.539 4.345 -0.150 1.00 0.00 H new ATOM 0 HA GLN A 42 7.392 2.035 -1.789 1.00 0.00 H new ATOM 0 HB2 GLN A 42 8.391 4.403 -2.112 1.00 0.00 H new ATOM 0 HB3 GLN A 42 9.148 4.174 -0.548 1.00 0.00 H new ATOM 0 HG2 GLN A 42 10.316 2.170 -1.381 1.00 0.00 H new ATOM 0 HG3 GLN A 42 9.519 2.329 -2.933 1.00 0.00 H new ATOM 0 HE21 GLN A 42 12.335 2.259 -2.577 1.00 0.00 H new ATOM 0 HE22 GLN A 42 12.989 3.825 -3.069 1.00 0.00 H new ATOM 651 N ILE A 43 8.067 0.648 0.132 1.00 0.00 N ATOM 652 CA ILE A 43 8.424 -0.210 1.255 1.00 0.00 C ATOM 653 C ILE A 43 9.690 0.287 1.945 1.00 0.00 C ATOM 654 O ILE A 43 10.803 -0.044 1.535 1.00 0.00 O ATOM 655 CB ILE A 43 8.637 -1.667 0.805 1.00 0.00 C ATOM 656 CG1 ILE A 43 7.390 -2.190 0.088 1.00 0.00 C ATOM 657 CG2 ILE A 43 8.975 -2.547 1.999 1.00 0.00 C ATOM 658 CD1 ILE A 43 6.152 -2.198 0.958 1.00 0.00 C ATOM 0 H ILE A 43 7.888 0.149 -0.740 1.00 0.00 H new ATOM 0 HA ILE A 43 7.591 -0.173 1.957 1.00 0.00 H new ATOM 0 HB ILE A 43 9.474 -1.697 0.108 1.00 0.00 H new ATOM 0 HG12 ILE A 43 7.202 -1.575 -0.792 1.00 0.00 H new ATOM 0 HG13 ILE A 43 7.582 -3.203 -0.266 1.00 0.00 H new ATOM 0 HG21 ILE A 43 9.123 -3.574 1.664 1.00 0.00 H new ATOM 0 HG22 ILE A 43 9.888 -2.185 2.471 1.00 0.00 H new ATOM 0 HG23 ILE A 43 8.157 -2.514 2.718 1.00 0.00 H new ATOM 0 HD11 ILE A 43 5.307 -2.580 0.385 1.00 0.00 H new ATOM 0 HD12 ILE A 43 6.321 -2.836 1.825 1.00 0.00 H new ATOM 0 HD13 ILE A 43 5.935 -1.183 1.291 1.00 0.00 H new ATOM 670 N ILE A 44 9.512 1.081 2.995 1.00 0.00 N ATOM 671 CA ILE A 44 10.640 1.621 3.744 1.00 0.00 C ATOM 672 C ILE A 44 11.338 0.530 4.550 1.00 0.00 C ATOM 673 O ILE A 44 12.486 0.181 4.277 1.00 0.00 O ATOM 674 CB ILE A 44 10.196 2.744 4.699 1.00 0.00 C ATOM 675 CG1 ILE A 44 9.714 3.959 3.904 1.00 0.00 C ATOM 676 CG2 ILE A 44 11.336 3.131 5.629 1.00 0.00 C ATOM 677 CD1 ILE A 44 9.302 5.126 4.774 1.00 0.00 C ATOM 0 H ILE A 44 8.597 1.365 3.347 1.00 0.00 H new ATOM 0 HA ILE A 44 11.336 2.031 3.013 1.00 0.00 H new ATOM 0 HB ILE A 44 9.367 2.378 5.305 1.00 0.00 H new ATOM 0 HG12 ILE A 44 10.508 4.281 3.231 1.00 0.00 H new ATOM 0 HG13 ILE A 44 8.869 3.664 3.282 1.00 0.00 H new ATOM 0 HG21 ILE A 44 11.006 3.926 6.298 1.00 0.00 H new ATOM 0 HG22 ILE A 44 11.636 2.264 6.217 1.00 0.00 H new ATOM 0 HG23 ILE A 44 12.183 3.481 5.040 1.00 0.00 H new ATOM 0 HD11 ILE A 44 8.972 5.951 4.143 1.00 0.00 H new ATOM 0 HD12 ILE A 44 8.486 4.821 5.429 1.00 0.00 H new ATOM 0 HD13 ILE A 44 10.151 5.448 5.377 1.00 0.00 H new ATOM 689 N ARG A 45 10.635 -0.006 5.542 1.00 0.00 N ATOM 690 CA ARG A 45 11.186 -1.058 6.387 1.00 0.00 C ATOM 691 C ARG A 45 10.072 -1.871 7.040 1.00 0.00 C ATOM 692 O ARG A 45 9.136 -1.313 7.612 1.00 0.00 O ATOM 693 CB ARG A 45 12.090 -0.455 7.464 1.00 0.00 C ATOM 694 CG ARG A 45 11.350 -0.074 8.736 1.00 0.00 C ATOM 695 CD ARG A 45 12.151 0.912 9.572 1.00 0.00 C ATOM 696 NE ARG A 45 13.096 0.238 10.458 1.00 0.00 N ATOM 697 CZ ARG A 45 14.139 0.842 11.017 1.00 0.00 C ATOM 698 NH1 ARG A 45 14.369 2.127 10.783 1.00 0.00 N ATOM 699 NH2 ARG A 45 14.954 0.161 11.812 1.00 0.00 N ATOM 0 H ARG A 45 9.683 0.271 5.780 1.00 0.00 H new ATOM 0 HA ARG A 45 11.776 -1.723 5.757 1.00 0.00 H new ATOM 0 HB2 ARG A 45 12.875 -1.170 7.710 1.00 0.00 H new ATOM 0 HB3 ARG A 45 12.581 0.430 7.060 1.00 0.00 H new ATOM 0 HG2 ARG A 45 10.385 0.364 8.480 1.00 0.00 H new ATOM 0 HG3 ARG A 45 11.148 -0.970 9.323 1.00 0.00 H new ATOM 0 HD2 ARG A 45 12.693 1.590 8.912 1.00 0.00 H new ATOM 0 HD3 ARG A 45 11.469 1.522 10.165 1.00 0.00 H new ATOM 0 HE ARG A 45 12.947 -0.751 10.659 1.00 0.00 H new ATOM 0 HH11 ARG A 45 13.744 2.654 10.173 1.00 0.00 H new ATOM 0 HH12 ARG A 45 15.170 2.588 11.213 1.00 0.00 H new ATOM 0 HH21 ARG A 45 14.780 -0.827 11.995 1.00 0.00 H new ATOM 0 HH22 ARG A 45 15.754 0.626 12.241 1.00 0.00 H new ATOM 713 N MET A 46 10.179 -3.193 6.948 1.00 0.00 N ATOM 714 CA MET A 46 9.181 -4.083 7.530 1.00 0.00 C ATOM 715 C MET A 46 9.306 -4.119 9.050 1.00 0.00 C ATOM 716 O MET A 46 10.278 -4.647 9.591 1.00 0.00 O ATOM 717 CB MET A 46 9.331 -5.495 6.960 1.00 0.00 C ATOM 718 CG MET A 46 8.661 -5.679 5.608 1.00 0.00 C ATOM 719 SD MET A 46 8.095 -7.369 5.338 1.00 0.00 S ATOM 720 CE MET A 46 6.778 -7.482 6.547 1.00 0.00 C ATOM 0 H MET A 46 10.947 -3.671 6.476 1.00 0.00 H new ATOM 0 HA MET A 46 8.194 -3.699 7.273 1.00 0.00 H new ATOM 0 HB2 MET A 46 10.391 -5.729 6.866 1.00 0.00 H new ATOM 0 HB3 MET A 46 8.908 -6.210 7.666 1.00 0.00 H new ATOM 0 HG2 MET A 46 7.812 -4.999 5.532 1.00 0.00 H new ATOM 0 HG3 MET A 46 9.361 -5.404 4.819 1.00 0.00 H new ATOM 0 HE1 MET A 46 6.937 -8.357 7.177 1.00 0.00 H new ATOM 0 HE2 MET A 46 6.774 -6.585 7.166 1.00 0.00 H new ATOM 0 HE3 MET A 46 5.820 -7.573 6.034 1.00 0.00 H new ATOM 730 N VAL A 47 8.316 -3.554 9.734 1.00 0.00 N ATOM 731 CA VAL A 47 8.315 -3.523 11.192 1.00 0.00 C ATOM 732 C VAL A 47 7.991 -4.896 11.771 1.00 0.00 C ATOM 733 O VAL A 47 8.832 -5.526 12.414 1.00 0.00 O ATOM 734 CB VAL A 47 7.299 -2.499 11.731 1.00 0.00 C ATOM 735 CG1 VAL A 47 7.418 -2.372 13.242 1.00 0.00 C ATOM 736 CG2 VAL A 47 7.494 -1.150 11.056 1.00 0.00 C ATOM 0 H VAL A 47 7.505 -3.112 9.302 1.00 0.00 H new ATOM 0 HA VAL A 47 9.317 -3.228 11.503 1.00 0.00 H new ATOM 0 HB VAL A 47 6.294 -2.853 11.500 1.00 0.00 H new ATOM 0 HG11 VAL A 47 6.692 -1.644 13.604 1.00 0.00 H new ATOM 0 HG12 VAL A 47 7.224 -3.339 13.705 1.00 0.00 H new ATOM 0 HG13 VAL A 47 8.424 -2.041 13.501 1.00 0.00 H new ATOM 0 HG21 VAL A 47 6.768 -0.438 11.449 1.00 0.00 H new ATOM 0 HG22 VAL A 47 8.502 -0.786 11.254 1.00 0.00 H new ATOM 0 HG23 VAL A 47 7.352 -1.257 9.981 1.00 0.00 H new ATOM 746 N THR A 48 6.766 -5.357 11.537 1.00 0.00 N ATOM 747 CA THR A 48 6.330 -6.656 12.035 1.00 0.00 C ATOM 748 C THR A 48 5.728 -7.500 10.918 1.00 0.00 C ATOM 749 O THR A 48 5.719 -7.093 9.756 1.00 0.00 O ATOM 750 CB THR A 48 5.294 -6.505 13.165 1.00 0.00 C ATOM 751 OG1 THR A 48 3.973 -6.452 12.613 1.00 0.00 O ATOM 752 CG2 THR A 48 5.560 -5.248 13.979 1.00 0.00 C ATOM 0 H THR A 48 6.058 -4.850 11.006 1.00 0.00 H new ATOM 0 HA THR A 48 7.215 -7.157 12.428 1.00 0.00 H new ATOM 0 HB THR A 48 5.378 -7.369 13.824 1.00 0.00 H new ATOM 0 HG1 THR A 48 3.370 -7.002 13.155 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.816 -5.163 14.771 1.00 0.00 H new ATOM 0 HG22 THR A 48 6.555 -5.304 14.421 1.00 0.00 H new ATOM 0 HG23 THR A 48 5.500 -4.375 13.330 1.00 0.00 H new ATOM 760 N ASP A 49 5.226 -8.676 11.276 1.00 0.00 N ATOM 761 CA ASP A 49 4.619 -9.577 10.303 1.00 0.00 C ATOM 762 C ASP A 49 3.261 -9.053 9.850 1.00 0.00 C ATOM 763 O ASP A 49 2.602 -9.654 9.000 1.00 0.00 O ATOM 764 CB ASP A 49 4.467 -10.977 10.898 1.00 0.00 C ATOM 765 CG ASP A 49 4.327 -12.047 9.834 1.00 0.00 C ATOM 766 OD1 ASP A 49 5.179 -12.091 8.922 1.00 0.00 O ATOM 767 OD2 ASP A 49 3.365 -12.840 9.911 1.00 0.00 O ATOM 0 H ASP A 49 5.227 -9.028 12.233 1.00 0.00 H new ATOM 0 HA ASP A 49 5.276 -9.629 9.435 1.00 0.00 H new ATOM 0 HB2 ASP A 49 5.333 -11.200 11.521 1.00 0.00 H new ATOM 0 HB3 ASP A 49 3.593 -10.999 11.548 1.00 0.00 H new ATOM 772 N THR A 50 2.844 -7.928 10.424 1.00 0.00 N ATOM 773 CA THR A 50 1.563 -7.324 10.081 1.00 0.00 C ATOM 774 C THR A 50 1.727 -5.849 9.731 1.00 0.00 C ATOM 775 O THR A 50 0.961 -5.300 8.938 1.00 0.00 O ATOM 776 CB THR A 50 0.553 -7.456 11.236 1.00 0.00 C ATOM 777 OG1 THR A 50 1.170 -7.081 12.472 1.00 0.00 O ATOM 778 CG2 THR A 50 0.029 -8.881 11.336 1.00 0.00 C ATOM 0 H THR A 50 3.376 -7.417 11.129 1.00 0.00 H new ATOM 0 HA THR A 50 1.183 -7.861 9.212 1.00 0.00 H new ATOM 0 HB THR A 50 -0.286 -6.791 11.033 1.00 0.00 H new ATOM 0 HG1 THR A 50 0.521 -7.166 13.201 1.00 0.00 H new ATOM 0 HG21 THR A 50 -0.683 -8.950 12.159 1.00 0.00 H new ATOM 0 HG22 THR A 50 -0.466 -9.153 10.404 1.00 0.00 H new ATOM 0 HG23 THR A 50 0.860 -9.562 11.517 1.00 0.00 H new ATOM 786 N LEU A 51 2.730 -5.212 10.326 1.00 0.00 N ATOM 787 CA LEU A 51 2.995 -3.800 10.076 1.00 0.00 C ATOM 788 C LEU A 51 4.159 -3.628 9.106 1.00 0.00 C ATOM 789 O LEU A 51 5.037 -4.486 9.015 1.00 0.00 O ATOM 790 CB LEU A 51 3.299 -3.077 11.389 1.00 0.00 C ATOM 791 CG LEU A 51 2.187 -3.097 12.439 1.00 0.00 C ATOM 792 CD1 LEU A 51 2.667 -2.465 13.736 1.00 0.00 C ATOM 793 CD2 LEU A 51 0.950 -2.380 11.919 1.00 0.00 C ATOM 0 H LEU A 51 3.373 -5.651 10.985 1.00 0.00 H new ATOM 0 HA LEU A 51 2.104 -3.363 9.626 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.193 -3.521 11.827 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.538 -2.038 11.162 1.00 0.00 H new ATOM 0 HG LEU A 51 1.922 -4.135 12.641 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.863 -2.488 14.471 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.523 -3.022 14.117 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.960 -1.432 13.551 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.169 -2.404 12.679 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.200 -1.344 11.688 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.594 -2.877 11.017 1.00 0.00 H new ATOM 805 N VAL A 52 4.162 -2.511 8.384 1.00 0.00 N ATOM 806 CA VAL A 52 5.221 -2.224 7.424 1.00 0.00 C ATOM 807 C VAL A 52 5.364 -0.724 7.196 1.00 0.00 C ATOM 808 O VAL A 52 4.377 -0.023 6.975 1.00 0.00 O ATOM 809 CB VAL A 52 4.955 -2.914 6.073 1.00 0.00 C ATOM 810 CG1 VAL A 52 5.803 -2.288 4.977 1.00 0.00 C ATOM 811 CG2 VAL A 52 5.221 -4.408 6.176 1.00 0.00 C ATOM 0 H VAL A 52 3.443 -1.791 8.446 1.00 0.00 H new ATOM 0 HA VAL A 52 6.147 -2.614 7.847 1.00 0.00 H new ATOM 0 HB VAL A 52 3.906 -2.772 5.813 1.00 0.00 H new ATOM 0 HG11 VAL A 52 5.601 -2.789 4.030 1.00 0.00 H new ATOM 0 HG12 VAL A 52 5.558 -1.230 4.887 1.00 0.00 H new ATOM 0 HG13 VAL A 52 6.858 -2.396 5.227 1.00 0.00 H new ATOM 0 HG21 VAL A 52 5.028 -4.879 5.212 1.00 0.00 H new ATOM 0 HG22 VAL A 52 6.260 -4.574 6.459 1.00 0.00 H new ATOM 0 HG23 VAL A 52 4.566 -4.843 6.930 1.00 0.00 H new ATOM 821 N GLU A 53 6.600 -0.238 7.251 1.00 0.00 N ATOM 822 CA GLU A 53 6.872 1.181 7.051 1.00 0.00 C ATOM 823 C GLU A 53 6.985 1.509 5.565 1.00 0.00 C ATOM 824 O GLU A 53 7.792 0.918 4.847 1.00 0.00 O ATOM 825 CB GLU A 53 8.160 1.583 7.773 1.00 0.00 C ATOM 826 CG GLU A 53 8.187 3.040 8.204 1.00 0.00 C ATOM 827 CD GLU A 53 9.319 3.342 9.167 1.00 0.00 C ATOM 828 OE1 GLU A 53 9.122 3.167 10.388 1.00 0.00 O ATOM 829 OE2 GLU A 53 10.401 3.754 8.700 1.00 0.00 O ATOM 0 H GLU A 53 7.428 -0.805 7.432 1.00 0.00 H new ATOM 0 HA GLU A 53 6.039 1.747 7.468 1.00 0.00 H new ATOM 0 HB2 GLU A 53 8.286 0.951 8.652 1.00 0.00 H new ATOM 0 HB3 GLU A 53 9.009 1.391 7.117 1.00 0.00 H new ATOM 0 HG2 GLU A 53 8.286 3.674 7.323 1.00 0.00 H new ATOM 0 HG3 GLU A 53 7.237 3.294 8.675 1.00 0.00 H new ATOM 836 N VAL A 54 6.171 2.456 5.110 1.00 0.00 N ATOM 837 CA VAL A 54 6.179 2.864 3.711 1.00 0.00 C ATOM 838 C VAL A 54 6.368 4.371 3.578 1.00 0.00 C ATOM 839 O VAL A 54 6.086 5.127 4.509 1.00 0.00 O ATOM 840 CB VAL A 54 4.874 2.457 3.000 1.00 0.00 C ATOM 841 CG1 VAL A 54 4.923 0.993 2.589 1.00 0.00 C ATOM 842 CG2 VAL A 54 3.674 2.728 3.894 1.00 0.00 C ATOM 0 H VAL A 54 5.497 2.955 5.691 1.00 0.00 H new ATOM 0 HA VAL A 54 7.017 2.353 3.238 1.00 0.00 H new ATOM 0 HB VAL A 54 4.770 3.059 2.097 1.00 0.00 H new ATOM 0 HG11 VAL A 54 3.993 0.724 2.089 1.00 0.00 H new ATOM 0 HG12 VAL A 54 5.760 0.834 1.909 1.00 0.00 H new ATOM 0 HG13 VAL A 54 5.051 0.371 3.475 1.00 0.00 H new ATOM 0 HG21 VAL A 54 2.761 2.435 3.376 1.00 0.00 H new ATOM 0 HG22 VAL A 54 3.769 2.153 4.815 1.00 0.00 H new ATOM 0 HG23 VAL A 54 3.631 3.791 4.132 1.00 0.00 H new ATOM 852 N LEU A 55 6.847 4.801 2.416 1.00 0.00 N ATOM 853 CA LEU A 55 7.074 6.219 2.161 1.00 0.00 C ATOM 854 C LEU A 55 6.170 6.722 1.040 1.00 0.00 C ATOM 855 O LEU A 55 6.193 6.197 -0.074 1.00 0.00 O ATOM 856 CB LEU A 55 8.540 6.464 1.798 1.00 0.00 C ATOM 857 CG LEU A 55 8.857 7.819 1.165 1.00 0.00 C ATOM 858 CD1 LEU A 55 8.293 8.950 2.012 1.00 0.00 C ATOM 859 CD2 LEU A 55 10.359 7.984 0.983 1.00 0.00 C ATOM 0 H LEU A 55 7.086 4.189 1.636 1.00 0.00 H new ATOM 0 HA LEU A 55 6.834 6.769 3.071 1.00 0.00 H new ATOM 0 HB2 LEU A 55 9.140 6.359 2.702 1.00 0.00 H new ATOM 0 HB3 LEU A 55 8.859 5.681 1.110 1.00 0.00 H new ATOM 0 HG LEU A 55 8.385 7.859 0.183 1.00 0.00 H new ATOM 0 HD11 LEU A 55 8.529 9.906 1.545 1.00 0.00 H new ATOM 0 HD12 LEU A 55 7.211 8.841 2.090 1.00 0.00 H new ATOM 0 HD13 LEU A 55 8.734 8.914 3.008 1.00 0.00 H new ATOM 0 HD21 LEU A 55 10.566 8.954 0.531 1.00 0.00 H new ATOM 0 HD22 LEU A 55 10.852 7.923 1.953 1.00 0.00 H new ATOM 0 HD23 LEU A 55 10.736 7.194 0.334 1.00 0.00 H new ATOM 871 N LEU A 56 5.376 7.744 1.341 1.00 0.00 N ATOM 872 CA LEU A 56 4.465 8.320 0.358 1.00 0.00 C ATOM 873 C LEU A 56 5.197 9.299 -0.555 1.00 0.00 C ATOM 874 O LEU A 56 4.701 10.389 -0.839 1.00 0.00 O ATOM 875 CB LEU A 56 3.307 9.031 1.061 1.00 0.00 C ATOM 876 CG LEU A 56 2.569 8.218 2.125 1.00 0.00 C ATOM 877 CD1 LEU A 56 1.322 8.955 2.589 1.00 0.00 C ATOM 878 CD2 LEU A 56 2.208 6.840 1.589 1.00 0.00 C ATOM 0 H LEU A 56 5.345 8.191 2.258 1.00 0.00 H new ATOM 0 HA LEU A 56 4.069 7.508 -0.252 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.693 9.938 1.527 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.586 9.343 0.306 1.00 0.00 H new ATOM 0 HG LEU A 56 3.231 8.090 2.981 1.00 0.00 H new ATOM 0 HD11 LEU A 56 0.809 8.362 3.346 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.605 9.918 3.013 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.656 9.114 1.741 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.683 6.276 2.360 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.564 6.946 0.716 1.00 0.00 H new ATOM 0 HD23 LEU A 56 3.117 6.310 1.307 1.00 0.00 H new ATOM 890 N TYR A 57 6.379 8.901 -1.013 1.00 0.00 N ATOM 891 CA TYR A 57 7.180 9.743 -1.894 1.00 0.00 C ATOM 892 C TYR A 57 6.289 10.569 -2.817 1.00 0.00 C ATOM 893 O TYR A 57 6.618 11.703 -3.164 1.00 0.00 O ATOM 894 CB TYR A 57 8.136 8.884 -2.725 1.00 0.00 C ATOM 895 CG TYR A 57 7.438 7.826 -3.549 1.00 0.00 C ATOM 896 CD1 TYR A 57 6.899 8.130 -4.793 1.00 0.00 C ATOM 897 CD2 TYR A 57 7.318 6.522 -3.085 1.00 0.00 C ATOM 898 CE1 TYR A 57 6.260 7.167 -5.550 1.00 0.00 C ATOM 899 CE2 TYR A 57 6.682 5.552 -3.835 1.00 0.00 C ATOM 900 CZ TYR A 57 6.154 5.879 -5.066 1.00 0.00 C ATOM 901 OH TYR A 57 5.519 4.917 -5.818 1.00 0.00 O ATOM 0 H TYR A 57 6.803 8.001 -0.789 1.00 0.00 H new ATOM 0 HA TYR A 57 7.761 10.425 -1.273 1.00 0.00 H new ATOM 0 HB2 TYR A 57 8.708 9.531 -3.390 1.00 0.00 H new ATOM 0 HB3 TYR A 57 8.850 8.401 -2.058 1.00 0.00 H new ATOM 0 HD1 TYR A 57 6.981 9.137 -5.175 1.00 0.00 H new ATOM 0 HD2 TYR A 57 7.729 6.262 -2.121 1.00 0.00 H new ATOM 0 HE1 TYR A 57 5.846 7.421 -6.515 1.00 0.00 H new ATOM 0 HE2 TYR A 57 6.599 4.543 -3.459 1.00 0.00 H new ATOM 0 HH TYR A 57 5.531 4.064 -5.336 1.00 0.00 H new ATOM 911 N ASP A 58 5.159 9.991 -3.210 1.00 0.00 N ATOM 912 CA ASP A 58 4.218 10.674 -4.091 1.00 0.00 C ATOM 913 C ASP A 58 3.887 12.065 -3.559 1.00 0.00 C ATOM 914 O ASP A 58 4.039 13.062 -4.264 1.00 0.00 O ATOM 915 CB ASP A 58 2.937 9.852 -4.238 1.00 0.00 C ATOM 916 CG ASP A 58 2.347 9.454 -2.899 1.00 0.00 C ATOM 917 OD1 ASP A 58 2.864 8.499 -2.282 1.00 0.00 O ATOM 918 OD2 ASP A 58 1.369 10.099 -2.467 1.00 0.00 O ATOM 0 H ASP A 58 4.872 9.052 -2.933 1.00 0.00 H new ATOM 0 HA ASP A 58 4.686 10.781 -5.070 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.201 10.428 -4.799 1.00 0.00 H new ATOM 0 HB3 ASP A 58 3.149 8.955 -4.819 1.00 0.00 H new ATOM 923 N VAL A 59 3.432 12.123 -2.312 1.00 0.00 N ATOM 924 CA VAL A 59 3.079 13.392 -1.685 1.00 0.00 C ATOM 925 C VAL A 59 4.236 13.935 -0.854 1.00 0.00 C ATOM 926 O VAL A 59 4.474 15.141 -0.816 1.00 0.00 O ATOM 927 CB VAL A 59 1.838 13.247 -0.785 1.00 0.00 C ATOM 928 CG1 VAL A 59 0.621 12.860 -1.611 1.00 0.00 C ATOM 929 CG2 VAL A 59 2.093 12.226 0.313 1.00 0.00 C ATOM 0 H VAL A 59 3.299 11.306 -1.715 1.00 0.00 H new ATOM 0 HA VAL A 59 2.855 14.092 -2.490 1.00 0.00 H new ATOM 0 HB VAL A 59 1.637 14.210 -0.315 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -0.246 12.762 -0.958 1.00 0.00 H new ATOM 0 HG12 VAL A 59 0.428 13.631 -2.357 1.00 0.00 H new ATOM 0 HG13 VAL A 59 0.808 11.909 -2.111 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.206 12.136 0.940 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.320 11.259 -0.135 1.00 0.00 H new ATOM 0 HG23 VAL A 59 2.936 12.550 0.923 1.00 0.00 H new ATOM 939 N GLY A 60 4.954 13.035 -0.189 1.00 0.00 N ATOM 940 CA GLY A 60 6.078 13.443 0.633 1.00 0.00 C ATOM 941 C GLY A 60 5.788 13.318 2.115 1.00 0.00 C ATOM 942 O GLY A 60 5.951 14.278 2.870 1.00 0.00 O ATOM 0 H GLY A 60 4.777 12.031 -0.205 1.00 0.00 H new ATOM 0 HA2 GLY A 60 6.947 12.834 0.383 1.00 0.00 H new ATOM 0 HA3 GLY A 60 6.336 14.476 0.402 1.00 0.00 H new ATOM 946 N VAL A 61 5.355 12.134 2.535 1.00 0.00 N ATOM 947 CA VAL A 61 5.040 11.887 3.937 1.00 0.00 C ATOM 948 C VAL A 61 5.471 10.487 4.359 1.00 0.00 C ATOM 949 O VAL A 61 5.097 9.497 3.731 1.00 0.00 O ATOM 950 CB VAL A 61 3.534 12.054 4.212 1.00 0.00 C ATOM 951 CG1 VAL A 61 3.177 11.499 5.582 1.00 0.00 C ATOM 952 CG2 VAL A 61 3.131 13.517 4.098 1.00 0.00 C ATOM 0 H VAL A 61 5.214 11.330 1.924 1.00 0.00 H new ATOM 0 HA VAL A 61 5.592 12.625 4.520 1.00 0.00 H new ATOM 0 HB VAL A 61 2.980 11.489 3.462 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.109 11.626 5.759 1.00 0.00 H new ATOM 0 HG12 VAL A 61 3.428 10.439 5.622 1.00 0.00 H new ATOM 0 HG13 VAL A 61 3.738 12.034 6.349 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.064 13.617 4.295 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.691 14.106 4.824 1.00 0.00 H new ATOM 0 HG23 VAL A 61 3.349 13.877 3.093 1.00 0.00 H new ATOM 962 N GLU A 62 6.259 10.413 5.427 1.00 0.00 N ATOM 963 CA GLU A 62 6.741 9.133 5.933 1.00 0.00 C ATOM 964 C GLU A 62 5.795 8.576 6.993 1.00 0.00 C ATOM 965 O GLU A 62 5.581 9.195 8.037 1.00 0.00 O ATOM 966 CB GLU A 62 8.146 9.287 6.517 1.00 0.00 C ATOM 967 CG GLU A 62 9.122 9.979 5.581 1.00 0.00 C ATOM 968 CD GLU A 62 10.208 10.733 6.323 1.00 0.00 C ATOM 969 OE1 GLU A 62 10.563 10.313 7.444 1.00 0.00 O ATOM 970 OE2 GLU A 62 10.702 11.745 5.783 1.00 0.00 O ATOM 0 H GLU A 62 6.577 11.224 5.958 1.00 0.00 H new ATOM 0 HA GLU A 62 6.777 8.432 5.099 1.00 0.00 H new ATOM 0 HB2 GLU A 62 8.084 9.853 7.446 1.00 0.00 H new ATOM 0 HB3 GLU A 62 8.535 8.301 6.770 1.00 0.00 H new ATOM 0 HG2 GLU A 62 9.582 9.237 4.928 1.00 0.00 H new ATOM 0 HG3 GLU A 62 8.576 10.672 4.941 1.00 0.00 H new ATOM 977 N LEU A 63 5.231 7.406 6.719 1.00 0.00 N ATOM 978 CA LEU A 63 4.307 6.764 7.648 1.00 0.00 C ATOM 979 C LEU A 63 4.366 5.246 7.513 1.00 0.00 C ATOM 980 O LEU A 63 5.064 4.715 6.649 1.00 0.00 O ATOM 981 CB LEU A 63 2.880 7.255 7.400 1.00 0.00 C ATOM 982 CG LEU A 63 2.036 6.411 6.445 1.00 0.00 C ATOM 983 CD1 LEU A 63 0.691 7.073 6.193 1.00 0.00 C ATOM 984 CD2 LEU A 63 2.776 6.188 5.134 1.00 0.00 C ATOM 0 H LEU A 63 5.397 6.881 5.860 1.00 0.00 H new ATOM 0 HA LEU A 63 4.605 7.032 8.662 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.364 7.308 8.359 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.930 8.271 7.008 1.00 0.00 H new ATOM 0 HG LEU A 63 1.859 5.441 6.909 1.00 0.00 H new ATOM 0 HD11 LEU A 63 0.105 6.457 5.511 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.156 7.180 7.136 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.847 8.057 5.751 1.00 0.00 H new ATOM 0 HD21 LEU A 63 2.160 5.585 4.467 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.984 7.150 4.666 1.00 0.00 H new ATOM 0 HD23 LEU A 63 3.714 5.669 5.330 1.00 0.00 H new ATOM 996 N VAL A 64 3.626 4.552 8.372 1.00 0.00 N ATOM 997 CA VAL A 64 3.590 3.095 8.347 1.00 0.00 C ATOM 998 C VAL A 64 2.158 2.578 8.424 1.00 0.00 C ATOM 999 O VAL A 64 1.390 2.974 9.302 1.00 0.00 O ATOM 1000 CB VAL A 64 4.404 2.493 9.508 1.00 0.00 C ATOM 1001 CG1 VAL A 64 3.972 3.100 10.834 1.00 0.00 C ATOM 1002 CG2 VAL A 64 4.258 0.979 9.532 1.00 0.00 C ATOM 0 H VAL A 64 3.043 4.976 9.094 1.00 0.00 H new ATOM 0 HA VAL A 64 4.035 2.785 7.401 1.00 0.00 H new ATOM 0 HB VAL A 64 5.456 2.731 9.353 1.00 0.00 H new ATOM 0 HG11 VAL A 64 4.558 2.663 11.642 1.00 0.00 H new ATOM 0 HG12 VAL A 64 4.134 4.178 10.811 1.00 0.00 H new ATOM 0 HG13 VAL A 64 2.914 2.895 11.001 1.00 0.00 H new ATOM 0 HG21 VAL A 64 4.840 0.570 10.358 1.00 0.00 H new ATOM 0 HG22 VAL A 64 3.208 0.717 9.663 1.00 0.00 H new ATOM 0 HG23 VAL A 64 4.622 0.563 8.592 1.00 0.00 H new ATOM 1012 N VAL A 65 1.804 1.691 7.500 1.00 0.00 N ATOM 1013 CA VAL A 65 0.463 1.119 7.463 1.00 0.00 C ATOM 1014 C VAL A 65 0.507 -0.395 7.642 1.00 0.00 C ATOM 1015 O VAL A 65 1.577 -1.001 7.625 1.00 0.00 O ATOM 1016 CB VAL A 65 -0.252 1.448 6.140 1.00 0.00 C ATOM 1017 CG1 VAL A 65 -0.150 2.934 5.833 1.00 0.00 C ATOM 1018 CG2 VAL A 65 0.324 0.619 5.002 1.00 0.00 C ATOM 0 H VAL A 65 2.427 1.353 6.767 1.00 0.00 H new ATOM 0 HA VAL A 65 -0.094 1.564 8.288 1.00 0.00 H new ATOM 0 HB VAL A 65 -1.307 1.195 6.245 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -0.661 3.148 4.894 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -0.615 3.504 6.637 1.00 0.00 H new ATOM 0 HG13 VAL A 65 0.899 3.217 5.747 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -0.193 0.865 4.075 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.386 0.838 4.894 1.00 0.00 H new ATOM 0 HG23 VAL A 65 0.192 -0.441 5.221 1.00 0.00 H new ATOM 1028 N ASN A 66 -0.664 -0.999 7.811 1.00 0.00 N ATOM 1029 CA ASN A 66 -0.760 -2.443 7.992 1.00 0.00 C ATOM 1030 C ASN A 66 -0.802 -3.159 6.645 1.00 0.00 C ATOM 1031 O ASN A 66 -1.533 -2.759 5.740 1.00 0.00 O ATOM 1032 CB ASN A 66 -2.006 -2.794 8.808 1.00 0.00 C ATOM 1033 CG ASN A 66 -1.839 -4.082 9.592 1.00 0.00 C ATOM 1034 OD1 ASN A 66 -0.860 -4.258 10.316 1.00 0.00 O ATOM 1035 ND2 ASN A 66 -2.799 -4.989 9.451 1.00 0.00 N ATOM 0 H ASN A 66 -1.560 -0.511 7.826 1.00 0.00 H new ATOM 0 HA ASN A 66 0.126 -2.776 8.533 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -2.228 -1.979 9.497 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -2.861 -2.887 8.139 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -2.742 -5.874 9.954 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -3.593 -4.800 8.839 1.00 0.00 H new ATOM 1042 N VAL A 67 -0.012 -4.221 6.521 1.00 0.00 N ATOM 1043 CA VAL A 67 0.040 -4.995 5.286 1.00 0.00 C ATOM 1044 C VAL A 67 -1.358 -5.393 4.827 1.00 0.00 C ATOM 1045 O VAL A 67 -1.567 -5.733 3.663 1.00 0.00 O ATOM 1046 CB VAL A 67 0.894 -6.265 5.455 1.00 0.00 C ATOM 1047 CG1 VAL A 67 2.324 -5.902 5.826 1.00 0.00 C ATOM 1048 CG2 VAL A 67 0.281 -7.184 6.501 1.00 0.00 C ATOM 0 H VAL A 67 0.601 -4.565 7.260 1.00 0.00 H new ATOM 0 HA VAL A 67 0.498 -4.356 4.531 1.00 0.00 H new ATOM 0 HB VAL A 67 0.914 -6.797 4.504 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.912 -6.812 5.941 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.759 -5.286 5.039 1.00 0.00 H new ATOM 0 HG13 VAL A 67 2.327 -5.347 6.764 1.00 0.00 H new ATOM 0 HG21 VAL A 67 0.898 -8.077 6.607 1.00 0.00 H new ATOM 0 HG22 VAL A 67 0.229 -6.663 7.457 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.723 -7.472 6.189 1.00 0.00 H new ATOM 1058 N ASP A 68 -2.312 -5.348 5.750 1.00 0.00 N ATOM 1059 CA ASP A 68 -3.693 -5.702 5.441 1.00 0.00 C ATOM 1060 C ASP A 68 -4.276 -4.756 4.396 1.00 0.00 C ATOM 1061 O ASP A 68 -5.127 -5.147 3.597 1.00 0.00 O ATOM 1062 CB ASP A 68 -4.547 -5.670 6.709 1.00 0.00 C ATOM 1063 CG ASP A 68 -6.009 -5.955 6.430 1.00 0.00 C ATOM 1064 OD1 ASP A 68 -6.393 -7.144 6.431 1.00 0.00 O ATOM 1065 OD2 ASP A 68 -6.770 -4.990 6.210 1.00 0.00 O ATOM 0 H ASP A 68 -2.155 -5.070 6.719 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.700 -6.713 5.034 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.166 -6.404 7.419 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -4.454 -4.692 7.181 1.00 0.00 H new ATOM 1070 N CYS A 69 -3.812 -3.511 4.409 1.00 0.00 N ATOM 1071 CA CYS A 69 -4.289 -2.508 3.463 1.00 0.00 C ATOM 1072 C CYS A 69 -3.359 -2.411 2.258 1.00 0.00 C ATOM 1073 O CYS A 69 -3.744 -1.908 1.202 1.00 0.00 O ATOM 1074 CB CYS A 69 -4.401 -1.145 4.147 1.00 0.00 C ATOM 1075 SG CYS A 69 -5.851 -0.970 5.213 1.00 0.00 S ATOM 0 H CYS A 69 -3.107 -3.172 5.063 1.00 0.00 H new ATOM 0 HA CYS A 69 -5.275 -2.814 3.114 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -3.504 -0.974 4.742 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -4.430 -0.368 3.383 1.00 0.00 H new ATOM 0 HG CYS A 69 -5.856 0.215 5.748 1.00 0.00 H new ATOM 1081 N LEU A 70 -2.133 -2.895 2.424 1.00 0.00 N ATOM 1082 CA LEU A 70 -1.146 -2.862 1.350 1.00 0.00 C ATOM 1083 C LEU A 70 -1.618 -3.679 0.151 1.00 0.00 C ATOM 1084 O LEU A 70 -2.274 -4.709 0.310 1.00 0.00 O ATOM 1085 CB LEU A 70 0.198 -3.395 1.849 1.00 0.00 C ATOM 1086 CG LEU A 70 0.992 -2.463 2.763 1.00 0.00 C ATOM 1087 CD1 LEU A 70 2.356 -3.058 3.078 1.00 0.00 C ATOM 1088 CD2 LEU A 70 1.142 -1.089 2.125 1.00 0.00 C ATOM 0 H LEU A 70 -1.799 -3.315 3.291 1.00 0.00 H new ATOM 0 HA LEU A 70 -1.024 -1.826 1.034 1.00 0.00 H new ATOM 0 HB2 LEU A 70 0.020 -4.329 2.382 1.00 0.00 H new ATOM 0 HB3 LEU A 70 0.815 -3.634 0.983 1.00 0.00 H new ATOM 0 HG LEU A 70 0.443 -2.349 3.698 1.00 0.00 H new ATOM 0 HD11 LEU A 70 2.907 -2.380 3.730 1.00 0.00 H new ATOM 0 HD12 LEU A 70 2.228 -4.018 3.578 1.00 0.00 H new ATOM 0 HD13 LEU A 70 2.912 -3.203 2.152 1.00 0.00 H new ATOM 0 HD21 LEU A 70 1.710 -0.439 2.790 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.668 -1.184 1.175 1.00 0.00 H new ATOM 0 HD23 LEU A 70 0.156 -0.658 1.952 1.00 0.00 H new ATOM 1100 N ARG A 71 -1.277 -3.215 -1.046 1.00 0.00 N ATOM 1101 CA ARG A 71 -1.665 -3.903 -2.271 1.00 0.00 C ATOM 1102 C ARG A 71 -0.527 -3.887 -3.288 1.00 0.00 C ATOM 1103 O ARG A 71 0.249 -2.933 -3.352 1.00 0.00 O ATOM 1104 CB ARG A 71 -2.911 -3.253 -2.875 1.00 0.00 C ATOM 1105 CG ARG A 71 -4.214 -3.783 -2.299 1.00 0.00 C ATOM 1106 CD ARG A 71 -4.676 -5.036 -3.028 1.00 0.00 C ATOM 1107 NE ARG A 71 -4.135 -6.251 -2.425 1.00 0.00 N ATOM 1108 CZ ARG A 71 -4.276 -7.460 -2.956 1.00 0.00 C ATOM 1109 NH1 ARG A 71 -4.939 -7.615 -4.094 1.00 0.00 N ATOM 1110 NH2 ARG A 71 -3.754 -8.518 -2.348 1.00 0.00 N ATOM 0 H ARG A 71 -0.733 -2.365 -1.194 1.00 0.00 H new ATOM 0 HA ARG A 71 -1.890 -4.939 -2.019 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -2.863 -2.176 -2.713 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -2.908 -3.414 -3.953 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -4.082 -4.005 -1.240 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -4.984 -3.015 -2.370 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -5.765 -5.080 -3.018 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -4.369 -4.982 -4.072 1.00 0.00 H new ATOM 0 HE ARG A 71 -3.621 -6.166 -1.548 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -5.342 -6.804 -4.564 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -5.046 -8.545 -4.500 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -3.244 -8.403 -1.472 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -3.863 -9.446 -2.757 1.00 0.00 H new ATOM 1124 N LYS A 72 -0.432 -4.950 -4.080 1.00 0.00 N ATOM 1125 CA LYS A 72 0.609 -5.059 -5.094 1.00 0.00 C ATOM 1126 C LYS A 72 0.343 -4.103 -6.253 1.00 0.00 C ATOM 1127 O LYS A 72 -0.620 -4.274 -7.002 1.00 0.00 O ATOM 1128 CB LYS A 72 0.696 -6.496 -5.613 1.00 0.00 C ATOM 1129 CG LYS A 72 0.905 -7.527 -4.517 1.00 0.00 C ATOM 1130 CD LYS A 72 1.440 -8.834 -5.077 1.00 0.00 C ATOM 1131 CE LYS A 72 0.318 -9.714 -5.607 1.00 0.00 C ATOM 1132 NZ LYS A 72 -0.587 -10.175 -4.518 1.00 0.00 N ATOM 0 H LYS A 72 -1.065 -5.749 -4.038 1.00 0.00 H new ATOM 0 HA LYS A 72 1.559 -4.788 -4.634 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.220 -6.734 -6.154 1.00 0.00 H new ATOM 0 HB3 LYS A 72 1.516 -6.566 -6.328 1.00 0.00 H new ATOM 0 HG2 LYS A 72 1.602 -7.135 -3.776 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.039 -7.709 -4.003 1.00 0.00 H new ATOM 0 HD2 LYS A 72 2.149 -8.625 -5.878 1.00 0.00 H new ATOM 0 HD3 LYS A 72 1.986 -9.368 -4.299 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -0.258 -9.160 -6.348 1.00 0.00 H new ATOM 0 HE3 LYS A 72 0.744 -10.579 -6.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -1.063 -11.052 -4.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -0.032 -10.353 -3.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -1.299 -9.442 -4.325 1.00 0.00 H new ATOM 1146 N LEU A 73 1.201 -3.100 -6.395 1.00 0.00 N ATOM 1147 CA LEU A 73 1.059 -2.118 -7.465 1.00 0.00 C ATOM 1148 C LEU A 73 1.220 -2.774 -8.832 1.00 0.00 C ATOM 1149 O LEU A 73 2.335 -2.935 -9.326 1.00 0.00 O ATOM 1150 CB LEU A 73 2.090 -1.000 -7.298 1.00 0.00 C ATOM 1151 CG LEU A 73 1.722 0.350 -7.914 1.00 0.00 C ATOM 1152 CD1 LEU A 73 0.969 1.207 -6.909 1.00 0.00 C ATOM 1153 CD2 LEU A 73 2.970 1.071 -8.403 1.00 0.00 C ATOM 0 H LEU A 73 2.002 -2.945 -5.783 1.00 0.00 H new ATOM 0 HA LEU A 73 0.057 -1.693 -7.403 1.00 0.00 H new ATOM 0 HB2 LEU A 73 2.269 -0.854 -6.233 1.00 0.00 H new ATOM 0 HB3 LEU A 73 3.031 -1.332 -7.736 1.00 0.00 H new ATOM 0 HG LEU A 73 1.071 0.172 -8.770 1.00 0.00 H new ATOM 0 HD11 LEU A 73 0.715 2.164 -7.365 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.055 0.695 -6.607 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.596 1.377 -6.034 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.689 2.030 -8.838 1.00 0.00 H new ATOM 0 HD22 LEU A 73 3.646 1.237 -7.564 1.00 0.00 H new ATOM 0 HD23 LEU A 73 3.470 0.463 -9.157 1.00 0.00 H new ATOM 1165 N GLU A 74 0.098 -3.150 -9.438 1.00 0.00 N ATOM 1166 CA GLU A 74 0.116 -3.788 -10.750 1.00 0.00 C ATOM 1167 C GLU A 74 0.759 -2.875 -11.790 1.00 0.00 C ATOM 1168 O GLU A 74 0.901 -1.673 -11.572 1.00 0.00 O ATOM 1169 CB GLU A 74 -1.305 -4.152 -11.183 1.00 0.00 C ATOM 1170 CG GLU A 74 -1.837 -5.416 -10.528 1.00 0.00 C ATOM 1171 CD GLU A 74 -1.089 -6.660 -10.966 1.00 0.00 C ATOM 1172 OE1 GLU A 74 0.053 -6.859 -10.500 1.00 0.00 O ATOM 1173 OE2 GLU A 74 -1.644 -7.433 -11.774 1.00 0.00 O ATOM 0 H GLU A 74 -0.834 -3.024 -9.042 1.00 0.00 H new ATOM 0 HA GLU A 74 0.710 -4.699 -10.675 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -1.971 -3.322 -10.947 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -1.325 -4.278 -12.266 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -1.766 -5.317 -9.445 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -2.894 -5.528 -10.769 1.00 0.00 H new ATOM 1180 N GLU A 75 1.145 -3.457 -12.921 1.00 0.00 N ATOM 1181 CA GLU A 75 1.775 -2.697 -13.994 1.00 0.00 C ATOM 1182 C GLU A 75 0.753 -1.815 -14.707 1.00 0.00 C ATOM 1183 O GLU A 75 0.995 -0.632 -14.942 1.00 0.00 O ATOM 1184 CB GLU A 75 2.438 -3.642 -14.998 1.00 0.00 C ATOM 1185 CG GLU A 75 3.273 -2.927 -16.047 1.00 0.00 C ATOM 1186 CD GLU A 75 3.593 -3.809 -17.238 1.00 0.00 C ATOM 1187 OE1 GLU A 75 2.703 -4.572 -17.668 1.00 0.00 O ATOM 1188 OE2 GLU A 75 4.734 -3.735 -17.741 1.00 0.00 O ATOM 0 H GLU A 75 1.033 -4.452 -13.118 1.00 0.00 H new ATOM 0 HA GLU A 75 2.538 -2.056 -13.552 1.00 0.00 H new ATOM 0 HB2 GLU A 75 3.072 -4.345 -14.458 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.666 -4.228 -15.497 1.00 0.00 H new ATOM 0 HG2 GLU A 75 2.739 -2.041 -16.389 1.00 0.00 H new ATOM 0 HG3 GLU A 75 4.203 -2.584 -15.594 1.00 0.00 H new ATOM 1195 N ASN A 76 -0.389 -2.402 -15.050 1.00 0.00 N ATOM 1196 CA ASN A 76 -1.447 -1.671 -15.738 1.00 0.00 C ATOM 1197 C ASN A 76 -1.882 -0.454 -14.928 1.00 0.00 C ATOM 1198 O ASN A 76 -1.840 0.677 -15.415 1.00 0.00 O ATOM 1199 CB ASN A 76 -2.648 -2.586 -15.988 1.00 0.00 C ATOM 1200 CG ASN A 76 -2.239 -3.937 -16.545 1.00 0.00 C ATOM 1201 OD1 ASN A 76 -1.902 -4.059 -17.722 1.00 0.00 O ATOM 1202 ND2 ASN A 76 -2.268 -4.959 -15.698 1.00 0.00 N ATOM 0 H ASN A 76 -0.605 -3.381 -14.863 1.00 0.00 H new ATOM 0 HA ASN A 76 -1.054 -1.328 -16.695 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -3.192 -2.730 -15.055 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -3.332 -2.101 -16.684 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -2.004 -5.892 -16.015 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -2.554 -4.811 -14.730 1.00 0.00 H new ATOM 1209 N LEU A 77 -2.299 -0.692 -13.689 1.00 0.00 N ATOM 1210 CA LEU A 77 -2.741 0.385 -12.810 1.00 0.00 C ATOM 1211 C LEU A 77 -1.678 1.473 -12.705 1.00 0.00 C ATOM 1212 O LEU A 77 -1.995 2.660 -12.619 1.00 0.00 O ATOM 1213 CB LEU A 77 -3.064 -0.165 -11.420 1.00 0.00 C ATOM 1214 CG LEU A 77 -4.058 -1.326 -11.371 1.00 0.00 C ATOM 1215 CD1 LEU A 77 -4.180 -1.865 -9.955 1.00 0.00 C ATOM 1216 CD2 LEU A 77 -5.417 -0.886 -11.895 1.00 0.00 C ATOM 0 H LEU A 77 -2.340 -1.621 -13.271 1.00 0.00 H new ATOM 0 HA LEU A 77 -3.642 0.824 -13.238 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.133 -0.490 -10.955 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.457 0.649 -10.811 1.00 0.00 H new ATOM 0 HG LEU A 77 -3.685 -2.126 -12.011 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -4.892 -2.691 -9.940 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -3.207 -2.219 -9.615 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -4.529 -1.073 -9.293 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -6.112 -1.725 -11.853 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -5.796 -0.069 -11.281 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -5.317 -0.549 -12.927 1.00 0.00 H new