USER MOD reduce.3.24.130724 H: found=0, std=0, add=564, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 562 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 7 SER OG : rot -55:sc= -0.674 USER MOD Set 1.2: A 46 GLN : amide:sc= -0.71 K(o=-1.4,f=-4.4!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0045 USER MOD Single : A 4 GLN : amide:sc= -0.0777 X(o=-0.078,f=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.0694 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0866 USER MOD Single : A 13 GLN : amide:sc= -0.552 K(o=-0.55,f=-0.049) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= 0.113 X(o=0.11,f=0) USER MOD Single : A 22 ASN : amide:sc= 0.886 K(o=0.89,f=0) USER MOD Single : A 23 LYS NZ :NH3+ -163:sc= 0.0034 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= 0.144 X(o=0.14,f=-0.032) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=-0.0056) USER MOD Single : A 31 THR OG1 : rot 90:sc= 1.42 USER MOD Single : A 32 THR OG1 : rot 131:sc= 1.23 USER MOD Single : A 34 CYS SG : rot -62:sc= 1.26 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.0265 USER MOD Single : A 47 THR OG1 : rot 92:sc= 1.23 USER MOD Single : A 48 GLN : amide:sc= -1.06! K(o=-1.1!,f=-0.053) USER MOD Single : A 49 LYS NZ :NH3+ -98:sc= 1.25 (180deg=-0.121) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= 0.725 K(o=0.73,f=-3!) USER MOD Single : A 61 SER OG : rot 78:sc= 1.15 USER MOD Single : A 66 SER OG : rot 160:sc= 0.0457 USER MOD Single : A 68 CYS SG : rot 63:sc= 1.24 USER MOD Single : A 70 SER OG : rot 180:sc= 0.0098 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 14.445 15.098 -3.707 1.00 0.00 N ATOM 2 CA MET A 1 14.764 15.195 -2.291 1.00 0.00 C ATOM 3 C MET A 1 16.245 14.889 -2.113 1.00 0.00 C ATOM 4 O MET A 1 17.085 15.780 -2.205 1.00 0.00 O ATOM 5 CB MET A 1 13.913 14.213 -1.481 1.00 0.00 C ATOM 6 CG MET A 1 12.679 14.843 -0.854 1.00 0.00 C ATOM 7 SD MET A 1 11.488 13.616 -0.275 1.00 0.00 S ATOM 8 CE MET A 1 11.916 13.537 1.464 1.00 0.00 C ATOM 0 H1 MET A 1 13.436 15.304 -3.850 1.00 0.00 H new ATOM 0 H2 MET A 1 15.017 15.784 -4.240 1.00 0.00 H new ATOM 0 H3 MET A 1 14.654 14.137 -4.045 1.00 0.00 H new ATOM 0 HA MET A 1 14.546 16.200 -1.929 1.00 0.00 H new ATOM 0 HB2 MET A 1 13.602 13.395 -2.131 1.00 0.00 H new ATOM 0 HB3 MET A 1 14.528 13.778 -0.693 1.00 0.00 H new ATOM 0 HG2 MET A 1 12.983 15.472 -0.017 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.198 15.494 -1.584 1.00 0.00 H new ATOM 0 HE1 MET A 1 11.268 12.819 1.966 1.00 0.00 H new ATOM 0 HE2 MET A 1 12.955 13.223 1.569 1.00 0.00 H new ATOM 0 HE3 MET A 1 11.786 14.521 1.916 1.00 0.00 H new ATOM 18 N SER A 2 16.552 13.626 -1.869 1.00 0.00 N ATOM 19 CA SER A 2 17.915 13.146 -1.964 1.00 0.00 C ATOM 20 C SER A 2 18.124 12.596 -3.371 1.00 0.00 C ATOM 21 O SER A 2 19.111 12.903 -4.040 1.00 0.00 O ATOM 22 CB SER A 2 18.169 12.067 -0.912 1.00 0.00 C ATOM 23 OG SER A 2 17.133 12.055 0.061 1.00 0.00 O ATOM 0 H SER A 2 15.871 12.915 -1.603 1.00 0.00 H new ATOM 0 HA SER A 2 18.619 13.957 -1.778 1.00 0.00 H new ATOM 0 HB2 SER A 2 18.233 11.091 -1.394 1.00 0.00 H new ATOM 0 HB3 SER A 2 19.128 12.246 -0.426 1.00 0.00 H new ATOM 0 HG SER A 2 17.315 11.356 0.724 1.00 0.00 H new ATOM 29 N ALA A 3 17.148 11.806 -3.811 1.00 0.00 N ATOM 30 CA ALA A 3 17.098 11.259 -5.158 1.00 0.00 C ATOM 31 C ALA A 3 15.818 10.455 -5.310 1.00 0.00 C ATOM 32 O ALA A 3 14.929 10.540 -4.463 1.00 0.00 O ATOM 33 CB ALA A 3 18.308 10.378 -5.438 1.00 0.00 C ATOM 0 H ALA A 3 16.358 11.525 -3.230 1.00 0.00 H new ATOM 0 HA ALA A 3 17.113 12.078 -5.877 1.00 0.00 H new ATOM 0 HB1 ALA A 3 18.244 9.983 -6.452 1.00 0.00 H new ATOM 0 HB2 ALA A 3 19.219 10.968 -5.335 1.00 0.00 H new ATOM 0 HB3 ALA A 3 18.329 9.552 -4.727 1.00 0.00 H new ATOM 39 N GLN A 4 15.715 9.689 -6.385 1.00 0.00 N ATOM 40 CA GLN A 4 14.601 8.769 -6.542 1.00 0.00 C ATOM 41 C GLN A 4 14.986 7.420 -5.954 1.00 0.00 C ATOM 42 O GLN A 4 15.564 6.572 -6.638 1.00 0.00 O ATOM 43 CB GLN A 4 14.219 8.618 -8.017 1.00 0.00 C ATOM 44 CG GLN A 4 12.749 8.285 -8.236 1.00 0.00 C ATOM 45 CD GLN A 4 11.912 9.508 -8.555 1.00 0.00 C ATOM 46 OE1 GLN A 4 11.002 9.873 -7.806 1.00 0.00 O ATOM 47 NE2 GLN A 4 12.205 10.144 -9.674 1.00 0.00 N ATOM 0 H GLN A 4 16.384 9.686 -7.155 1.00 0.00 H new ATOM 0 HA GLN A 4 13.734 9.166 -6.014 1.00 0.00 H new ATOM 0 HB2 GLN A 4 14.455 9.544 -8.541 1.00 0.00 H new ATOM 0 HB3 GLN A 4 14.831 7.834 -8.464 1.00 0.00 H new ATOM 0 HG2 GLN A 4 12.661 7.567 -9.052 1.00 0.00 H new ATOM 0 HG3 GLN A 4 12.353 7.802 -7.342 1.00 0.00 H new ATOM 0 HE21 GLN A 4 12.965 9.810 -10.266 1.00 0.00 H new ATOM 0 HE22 GLN A 4 11.671 10.969 -9.946 1.00 0.00 H new ATOM 56 N THR A 5 14.697 7.246 -4.675 1.00 0.00 N ATOM 57 CA THR A 5 15.062 6.033 -3.963 1.00 0.00 C ATOM 58 C THR A 5 14.331 4.819 -4.526 1.00 0.00 C ATOM 59 O THR A 5 13.109 4.832 -4.673 1.00 0.00 O ATOM 60 CB THR A 5 14.740 6.171 -2.465 1.00 0.00 C ATOM 61 OG1 THR A 5 14.560 7.558 -2.133 1.00 0.00 O ATOM 62 CG2 THR A 5 15.852 5.579 -1.616 1.00 0.00 C ATOM 0 H THR A 5 14.207 7.935 -4.105 1.00 0.00 H new ATOM 0 HA THR A 5 16.134 5.887 -4.094 1.00 0.00 H new ATOM 0 HB THR A 5 13.820 5.624 -2.258 1.00 0.00 H new ATOM 0 HG1 THR A 5 14.353 7.642 -1.179 1.00 0.00 H new ATOM 0 HG21 THR A 5 15.602 5.688 -0.561 1.00 0.00 H new ATOM 0 HG22 THR A 5 15.968 4.522 -1.854 1.00 0.00 H new ATOM 0 HG23 THR A 5 16.786 6.102 -1.823 1.00 0.00 H new ATOM 70 N VAL A 6 15.091 3.778 -4.852 1.00 0.00 N ATOM 71 CA VAL A 6 14.520 2.545 -5.379 1.00 0.00 C ATOM 72 C VAL A 6 13.655 1.869 -4.320 1.00 0.00 C ATOM 73 O VAL A 6 14.118 1.586 -3.213 1.00 0.00 O ATOM 74 CB VAL A 6 15.618 1.567 -5.854 1.00 0.00 C ATOM 75 CG1 VAL A 6 15.020 0.488 -6.740 1.00 0.00 C ATOM 76 CG2 VAL A 6 16.726 2.311 -6.587 1.00 0.00 C ATOM 0 H VAL A 6 16.107 3.765 -4.760 1.00 0.00 H new ATOM 0 HA VAL A 6 13.905 2.809 -6.239 1.00 0.00 H new ATOM 0 HB VAL A 6 16.055 1.090 -4.976 1.00 0.00 H new ATOM 0 HG11 VAL A 6 15.807 -0.192 -7.066 1.00 0.00 H new ATOM 0 HG12 VAL A 6 14.269 -0.068 -6.179 1.00 0.00 H new ATOM 0 HG13 VAL A 6 14.555 0.949 -7.611 1.00 0.00 H new ATOM 0 HG21 VAL A 6 17.487 1.602 -6.912 1.00 0.00 H new ATOM 0 HG22 VAL A 6 16.309 2.820 -7.456 1.00 0.00 H new ATOM 0 HG23 VAL A 6 17.176 3.045 -5.918 1.00 0.00 H new ATOM 86 N SER A 7 12.398 1.630 -4.661 1.00 0.00 N ATOM 87 CA SER A 7 11.436 1.078 -3.721 1.00 0.00 C ATOM 88 C SER A 7 11.645 -0.417 -3.504 1.00 0.00 C ATOM 89 O SER A 7 11.332 -1.236 -4.370 1.00 0.00 O ATOM 90 CB SER A 7 10.025 1.344 -4.227 1.00 0.00 C ATOM 91 OG SER A 7 9.970 2.582 -4.915 1.00 0.00 O ATOM 0 H SER A 7 12.018 1.812 -5.590 1.00 0.00 H new ATOM 0 HA SER A 7 11.583 1.568 -2.759 1.00 0.00 H new ATOM 0 HB2 SER A 7 9.712 0.538 -4.891 1.00 0.00 H new ATOM 0 HB3 SER A 7 9.328 1.355 -3.389 1.00 0.00 H new ATOM 0 HG SER A 7 10.312 3.294 -4.335 1.00 0.00 H new ATOM 97 N GLY A 8 12.186 -0.756 -2.344 1.00 0.00 N ATOM 98 CA GLY A 8 12.353 -2.143 -1.964 1.00 0.00 C ATOM 99 C GLY A 8 11.935 -2.379 -0.527 1.00 0.00 C ATOM 100 O GLY A 8 12.784 -2.470 0.363 1.00 0.00 O ATOM 0 H GLY A 8 12.516 -0.085 -1.650 1.00 0.00 H new ATOM 0 HA2 GLY A 8 11.761 -2.776 -2.625 1.00 0.00 H new ATOM 0 HA3 GLY A 8 13.396 -2.434 -2.093 1.00 0.00 H new ATOM 104 N PRO A 9 10.622 -2.458 -0.261 1.00 0.00 N ATOM 105 CA PRO A 9 10.099 -2.639 1.091 1.00 0.00 C ATOM 106 C PRO A 9 10.325 -4.054 1.608 1.00 0.00 C ATOM 107 O PRO A 9 9.981 -5.032 0.939 1.00 0.00 O ATOM 108 CB PRO A 9 8.592 -2.358 0.954 1.00 0.00 C ATOM 109 CG PRO A 9 8.387 -1.861 -0.441 1.00 0.00 C ATOM 110 CD PRO A 9 9.540 -2.382 -1.250 1.00 0.00 C ATOM 0 HA PRO A 9 10.598 -1.982 1.803 1.00 0.00 H new ATOM 0 HB2 PRO A 9 8.009 -3.261 1.135 1.00 0.00 H new ATOM 0 HB3 PRO A 9 8.266 -1.617 1.684 1.00 0.00 H new ATOM 0 HG2 PRO A 9 7.438 -2.215 -0.844 1.00 0.00 H new ATOM 0 HG3 PRO A 9 8.357 -0.772 -0.465 1.00 0.00 H new ATOM 0 HD2 PRO A 9 9.321 -3.357 -1.686 1.00 0.00 H new ATOM 0 HD3 PRO A 9 9.791 -1.714 -2.074 1.00 0.00 H new ATOM 118 N THR A 10 10.903 -4.150 2.793 1.00 0.00 N ATOM 119 CA THR A 10 11.171 -5.432 3.419 1.00 0.00 C ATOM 120 C THR A 10 9.874 -6.064 3.920 1.00 0.00 C ATOM 121 O THR A 10 8.851 -5.384 4.018 1.00 0.00 O ATOM 122 CB THR A 10 12.151 -5.254 4.588 1.00 0.00 C ATOM 123 OG1 THR A 10 11.990 -3.942 5.147 1.00 0.00 O ATOM 124 CG2 THR A 10 13.585 -5.432 4.115 1.00 0.00 C ATOM 0 H THR A 10 11.198 -3.345 3.346 1.00 0.00 H new ATOM 0 HA THR A 10 11.618 -6.093 2.676 1.00 0.00 H new ATOM 0 HB THR A 10 11.937 -6.009 5.345 1.00 0.00 H new ATOM 0 HG1 THR A 10 12.613 -3.826 5.894 1.00 0.00 H new ATOM 0 HG21 THR A 10 14.265 -5.302 4.957 1.00 0.00 H new ATOM 0 HG22 THR A 10 13.709 -6.432 3.699 1.00 0.00 H new ATOM 0 HG23 THR A 10 13.810 -4.690 3.349 1.00 0.00 H new ATOM 132 N GLU A 11 9.924 -7.349 4.249 1.00 0.00 N ATOM 133 CA GLU A 11 8.737 -8.083 4.683 1.00 0.00 C ATOM 134 C GLU A 11 8.093 -7.422 5.896 1.00 0.00 C ATOM 135 O GLU A 11 6.870 -7.295 5.968 1.00 0.00 O ATOM 136 CB GLU A 11 9.100 -9.525 5.019 1.00 0.00 C ATOM 137 CG GLU A 11 9.011 -10.468 3.832 1.00 0.00 C ATOM 138 CD GLU A 11 10.343 -10.649 3.139 1.00 0.00 C ATOM 139 OE1 GLU A 11 11.334 -10.988 3.825 1.00 0.00 O ATOM 140 OE2 GLU A 11 10.411 -10.448 1.908 1.00 0.00 O ATOM 0 H GLU A 11 10.777 -7.908 4.224 1.00 0.00 H new ATOM 0 HA GLU A 11 8.020 -8.072 3.862 1.00 0.00 H new ATOM 0 HB2 GLU A 11 10.114 -9.552 5.418 1.00 0.00 H new ATOM 0 HB3 GLU A 11 8.438 -9.883 5.807 1.00 0.00 H new ATOM 0 HG2 GLU A 11 8.645 -11.438 4.169 1.00 0.00 H new ATOM 0 HG3 GLU A 11 8.283 -10.082 3.119 1.00 0.00 H new ATOM 147 N ASP A 12 8.923 -6.995 6.841 1.00 0.00 N ATOM 148 CA ASP A 12 8.440 -6.322 8.044 1.00 0.00 C ATOM 149 C ASP A 12 7.689 -5.045 7.681 1.00 0.00 C ATOM 150 O ASP A 12 6.605 -4.775 8.205 1.00 0.00 O ATOM 151 CB ASP A 12 9.606 -5.999 8.984 1.00 0.00 C ATOM 152 CG ASP A 12 9.312 -4.830 9.907 1.00 0.00 C ATOM 153 OD1 ASP A 12 8.664 -5.041 10.954 1.00 0.00 O ATOM 154 OD2 ASP A 12 9.738 -3.701 9.596 1.00 0.00 O ATOM 0 H ASP A 12 9.936 -7.103 6.798 1.00 0.00 H new ATOM 0 HA ASP A 12 7.753 -6.995 8.557 1.00 0.00 H new ATOM 0 HB2 ASP A 12 9.838 -6.879 9.583 1.00 0.00 H new ATOM 0 HB3 ASP A 12 10.493 -5.774 8.391 1.00 0.00 H new ATOM 159 N GLN A 13 8.251 -4.282 6.752 1.00 0.00 N ATOM 160 CA GLN A 13 7.646 -3.029 6.332 1.00 0.00 C ATOM 161 C GLN A 13 6.374 -3.303 5.547 1.00 0.00 C ATOM 162 O GLN A 13 5.391 -2.577 5.666 1.00 0.00 O ATOM 163 CB GLN A 13 8.622 -2.211 5.484 1.00 0.00 C ATOM 164 CG GLN A 13 9.867 -1.762 6.235 1.00 0.00 C ATOM 165 CD GLN A 13 9.590 -0.692 7.283 1.00 0.00 C ATOM 166 OE1 GLN A 13 10.458 -0.371 8.095 1.00 0.00 O ATOM 167 NE2 GLN A 13 8.394 -0.123 7.264 1.00 0.00 N ATOM 0 H GLN A 13 9.124 -4.510 6.277 1.00 0.00 H new ATOM 0 HA GLN A 13 7.399 -2.451 7.222 1.00 0.00 H new ATOM 0 HB2 GLN A 13 8.925 -2.805 4.622 1.00 0.00 H new ATOM 0 HB3 GLN A 13 8.105 -1.332 5.100 1.00 0.00 H new ATOM 0 HG2 GLN A 13 10.321 -2.626 6.720 1.00 0.00 H new ATOM 0 HG3 GLN A 13 10.595 -1.379 5.520 1.00 0.00 H new ATOM 0 HE21 GLN A 13 7.701 -0.416 6.576 1.00 0.00 H new ATOM 0 HE22 GLN A 13 8.166 0.608 7.938 1.00 0.00 H new ATOM 176 N VAL A 14 6.405 -4.366 4.754 1.00 0.00 N ATOM 177 CA VAL A 14 5.242 -4.804 3.998 1.00 0.00 C ATOM 178 C VAL A 14 4.106 -5.188 4.943 1.00 0.00 C ATOM 179 O VAL A 14 2.942 -4.911 4.673 1.00 0.00 O ATOM 180 CB VAL A 14 5.596 -6.001 3.084 1.00 0.00 C ATOM 181 CG1 VAL A 14 4.349 -6.740 2.614 1.00 0.00 C ATOM 182 CG2 VAL A 14 6.411 -5.527 1.892 1.00 0.00 C ATOM 0 H VAL A 14 7.233 -4.946 4.618 1.00 0.00 H new ATOM 0 HA VAL A 14 4.916 -3.974 3.370 1.00 0.00 H new ATOM 0 HB VAL A 14 6.192 -6.701 3.669 1.00 0.00 H new ATOM 0 HG11 VAL A 14 4.639 -7.574 1.975 1.00 0.00 H new ATOM 0 HG12 VAL A 14 3.803 -7.119 3.478 1.00 0.00 H new ATOM 0 HG13 VAL A 14 3.711 -6.057 2.053 1.00 0.00 H new ATOM 0 HG21 VAL A 14 6.654 -6.378 1.256 1.00 0.00 H new ATOM 0 HG22 VAL A 14 5.832 -4.801 1.321 1.00 0.00 H new ATOM 0 HG23 VAL A 14 7.332 -5.061 2.243 1.00 0.00 H new ATOM 192 N GLU A 15 4.459 -5.812 6.059 1.00 0.00 N ATOM 193 CA GLU A 15 3.481 -6.187 7.073 1.00 0.00 C ATOM 194 C GLU A 15 2.813 -4.952 7.667 1.00 0.00 C ATOM 195 O GLU A 15 1.588 -4.901 7.797 1.00 0.00 O ATOM 196 CB GLU A 15 4.152 -7.003 8.173 1.00 0.00 C ATOM 197 CG GLU A 15 4.054 -8.501 7.959 1.00 0.00 C ATOM 198 CD GLU A 15 3.492 -9.216 9.163 1.00 0.00 C ATOM 199 OE1 GLU A 15 4.285 -9.620 10.037 1.00 0.00 O ATOM 200 OE2 GLU A 15 2.256 -9.371 9.246 1.00 0.00 O ATOM 0 H GLU A 15 5.419 -6.070 6.286 1.00 0.00 H new ATOM 0 HA GLU A 15 2.712 -6.796 6.598 1.00 0.00 H new ATOM 0 HB2 GLU A 15 5.203 -6.721 8.234 1.00 0.00 H new ATOM 0 HB3 GLU A 15 3.697 -6.750 9.131 1.00 0.00 H new ATOM 0 HG2 GLU A 15 3.423 -8.702 7.093 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.043 -8.899 7.732 1.00 0.00 H new ATOM 207 N ILE A 16 3.623 -3.952 8.010 1.00 0.00 N ATOM 208 CA ILE A 16 3.108 -2.687 8.526 1.00 0.00 C ATOM 209 C ILE A 16 2.247 -2.013 7.466 1.00 0.00 C ATOM 210 O ILE A 16 1.218 -1.402 7.764 1.00 0.00 O ATOM 211 CB ILE A 16 4.258 -1.733 8.923 1.00 0.00 C ATOM 212 CG1 ILE A 16 5.230 -2.425 9.880 1.00 0.00 C ATOM 213 CG2 ILE A 16 3.715 -0.463 9.559 1.00 0.00 C ATOM 214 CD1 ILE A 16 6.616 -1.816 9.875 1.00 0.00 C ATOM 0 H ILE A 16 4.640 -3.994 7.939 1.00 0.00 H new ATOM 0 HA ILE A 16 2.513 -2.903 9.413 1.00 0.00 H new ATOM 0 HB ILE A 16 4.795 -1.462 8.014 1.00 0.00 H new ATOM 0 HG12 ILE A 16 4.826 -2.381 10.891 1.00 0.00 H new ATOM 0 HG13 ILE A 16 5.304 -3.479 9.612 1.00 0.00 H new ATOM 0 HG21 ILE A 16 4.544 0.192 9.829 1.00 0.00 H new ATOM 0 HG22 ILE A 16 3.064 0.049 8.850 1.00 0.00 H new ATOM 0 HG23 ILE A 16 3.147 -0.718 10.454 1.00 0.00 H new ATOM 0 HD11 ILE A 16 7.253 -2.355 10.576 1.00 0.00 H new ATOM 0 HD12 ILE A 16 7.040 -1.884 8.873 1.00 0.00 H new ATOM 0 HD13 ILE A 16 6.555 -0.769 10.172 1.00 0.00 H new ATOM 226 N LEU A 17 2.677 -2.159 6.222 1.00 0.00 N ATOM 227 CA LEU A 17 1.995 -1.571 5.082 1.00 0.00 C ATOM 228 C LEU A 17 0.643 -2.231 4.845 1.00 0.00 C ATOM 229 O LEU A 17 -0.366 -1.548 4.689 1.00 0.00 O ATOM 230 CB LEU A 17 2.869 -1.710 3.835 1.00 0.00 C ATOM 231 CG LEU A 17 3.390 -0.400 3.243 1.00 0.00 C ATOM 232 CD1 LEU A 17 3.386 0.706 4.280 1.00 0.00 C ATOM 233 CD2 LEU A 17 4.787 -0.594 2.679 1.00 0.00 C ATOM 0 H LEU A 17 3.512 -2.691 5.975 1.00 0.00 H new ATOM 0 HA LEU A 17 1.821 -0.516 5.294 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.723 -2.342 4.080 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.296 -2.232 3.068 1.00 0.00 H new ATOM 0 HG LEU A 17 2.723 -0.105 2.433 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.761 1.626 3.832 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.369 0.865 4.638 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.025 0.423 5.116 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.145 0.347 2.261 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.459 -0.916 3.474 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.761 -1.352 1.896 1.00 0.00 H new ATOM 245 N GLU A 18 0.635 -3.560 4.815 1.00 0.00 N ATOM 246 CA GLU A 18 -0.589 -4.321 4.570 1.00 0.00 C ATOM 247 C GLU A 18 -1.635 -4.018 5.630 1.00 0.00 C ATOM 248 O GLU A 18 -2.815 -3.839 5.319 1.00 0.00 O ATOM 249 CB GLU A 18 -0.294 -5.821 4.541 1.00 0.00 C ATOM 250 CG GLU A 18 -0.416 -6.438 3.154 1.00 0.00 C ATOM 251 CD GLU A 18 -1.300 -7.669 3.132 1.00 0.00 C ATOM 252 OE1 GLU A 18 -1.322 -8.410 4.136 1.00 0.00 O ATOM 253 OE2 GLU A 18 -1.966 -7.912 2.103 1.00 0.00 O ATOM 0 H GLU A 18 1.465 -4.136 4.958 1.00 0.00 H new ATOM 0 HA GLU A 18 -0.982 -4.021 3.598 1.00 0.00 H new ATOM 0 HB2 GLU A 18 0.714 -5.992 4.919 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -0.979 -6.331 5.218 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -0.819 -5.695 2.466 1.00 0.00 H new ATOM 0 HG3 GLU A 18 0.577 -6.703 2.791 1.00 0.00 H new ATOM 260 N TYR A 19 -1.195 -3.952 6.879 1.00 0.00 N ATOM 261 CA TYR A 19 -2.077 -3.606 7.979 1.00 0.00 C ATOM 262 C TYR A 19 -2.620 -2.190 7.795 1.00 0.00 C ATOM 263 O TYR A 19 -3.815 -1.945 7.967 1.00 0.00 O ATOM 264 CB TYR A 19 -1.328 -3.730 9.314 1.00 0.00 C ATOM 265 CG TYR A 19 -2.004 -3.022 10.472 1.00 0.00 C ATOM 266 CD1 TYR A 19 -3.228 -3.459 10.958 1.00 0.00 C ATOM 267 CD2 TYR A 19 -1.420 -1.912 11.069 1.00 0.00 C ATOM 268 CE1 TYR A 19 -3.853 -2.810 12.006 1.00 0.00 C ATOM 269 CE2 TYR A 19 -2.037 -1.259 12.119 1.00 0.00 C ATOM 270 CZ TYR A 19 -3.253 -1.710 12.583 1.00 0.00 C ATOM 271 OH TYR A 19 -3.875 -1.056 13.625 1.00 0.00 O ATOM 0 H TYR A 19 -0.230 -4.134 7.154 1.00 0.00 H new ATOM 0 HA TYR A 19 -2.919 -4.298 7.989 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -1.220 -4.786 9.561 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -0.323 -3.327 9.193 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -3.700 -4.321 10.510 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -0.468 -1.553 10.707 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -4.806 -3.162 12.371 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -1.568 -0.399 12.574 1.00 0.00 H new ATOM 0 HH TYR A 19 -3.319 -0.304 13.917 1.00 0.00 H new ATOM 281 N ASN A 20 -1.739 -1.274 7.412 1.00 0.00 N ATOM 282 CA ASN A 20 -2.112 0.123 7.239 1.00 0.00 C ATOM 283 C ASN A 20 -3.091 0.297 6.081 1.00 0.00 C ATOM 284 O ASN A 20 -4.159 0.872 6.255 1.00 0.00 O ATOM 285 CB ASN A 20 -0.872 0.985 7.013 1.00 0.00 C ATOM 286 CG ASN A 20 -0.554 1.844 8.218 1.00 0.00 C ATOM 287 OD1 ASN A 20 -1.111 2.926 8.389 1.00 0.00 O ATOM 288 ND2 ASN A 20 0.341 1.363 9.067 1.00 0.00 N ATOM 0 H ASN A 20 -0.759 -1.475 7.215 1.00 0.00 H new ATOM 0 HA ASN A 20 -2.607 0.449 8.154 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -0.020 0.343 6.790 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -1.027 1.623 6.143 1.00 0.00 H new ATOM 0 HD21 ASN A 20 0.591 1.895 9.900 1.00 0.00 H new ATOM 0 HD22 ASN A 20 0.780 0.460 8.888 1.00 0.00 H new ATOM 295 N PHE A 21 -2.732 -0.230 4.908 1.00 0.00 N ATOM 296 CA PHE A 21 -3.573 -0.124 3.714 1.00 0.00 C ATOM 297 C PHE A 21 -4.979 -0.655 3.996 1.00 0.00 C ATOM 298 O PHE A 21 -5.973 -0.061 3.581 1.00 0.00 O ATOM 299 CB PHE A 21 -2.911 -0.888 2.548 1.00 0.00 C ATOM 300 CG PHE A 21 -3.774 -1.094 1.323 1.00 0.00 C ATOM 301 CD1 PHE A 21 -4.707 -2.121 1.270 1.00 0.00 C ATOM 302 CD2 PHE A 21 -3.634 -0.269 0.216 1.00 0.00 C ATOM 303 CE1 PHE A 21 -5.482 -2.316 0.142 1.00 0.00 C ATOM 304 CE2 PHE A 21 -4.408 -0.462 -0.915 1.00 0.00 C ATOM 305 CZ PHE A 21 -5.333 -1.486 -0.951 1.00 0.00 C ATOM 0 H PHE A 21 -1.859 -0.737 4.760 1.00 0.00 H new ATOM 0 HA PHE A 21 -3.669 0.925 3.434 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -2.012 -0.349 2.249 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -2.592 -1.864 2.913 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -4.829 -2.775 2.120 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -2.912 0.534 0.237 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -6.205 -3.118 0.116 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -4.288 0.188 -1.769 1.00 0.00 H new ATOM 0 HZ PHE A 21 -5.939 -1.637 -1.832 1.00 0.00 H new ATOM 315 N ASN A 22 -5.050 -1.750 4.740 1.00 0.00 N ATOM 316 CA ASN A 22 -6.325 -2.392 5.039 1.00 0.00 C ATOM 317 C ASN A 22 -7.155 -1.562 6.014 1.00 0.00 C ATOM 318 O ASN A 22 -8.383 -1.603 5.983 1.00 0.00 O ATOM 319 CB ASN A 22 -6.095 -3.790 5.620 1.00 0.00 C ATOM 320 CG ASN A 22 -6.146 -4.876 4.564 1.00 0.00 C ATOM 321 OD1 ASN A 22 -7.221 -5.331 4.168 1.00 0.00 O ATOM 322 ND2 ASN A 22 -4.981 -5.298 4.104 1.00 0.00 N ATOM 0 H ASN A 22 -4.239 -2.214 5.149 1.00 0.00 H new ATOM 0 HA ASN A 22 -6.878 -2.474 4.103 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -5.126 -3.818 6.118 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -6.849 -3.992 6.380 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -4.948 -6.028 3.393 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -4.115 -4.893 4.460 1.00 0.00 H new ATOM 329 N LYS A 23 -6.489 -0.801 6.873 1.00 0.00 N ATOM 330 CA LYS A 23 -7.183 -0.047 7.913 1.00 0.00 C ATOM 331 C LYS A 23 -7.361 1.422 7.538 1.00 0.00 C ATOM 332 O LYS A 23 -8.089 2.154 8.212 1.00 0.00 O ATOM 333 CB LYS A 23 -6.436 -0.161 9.243 1.00 0.00 C ATOM 334 CG LYS A 23 -6.458 -1.561 9.835 1.00 0.00 C ATOM 335 CD LYS A 23 -7.877 -2.025 10.124 1.00 0.00 C ATOM 336 CE LYS A 23 -8.174 -3.364 9.463 1.00 0.00 C ATOM 337 NZ LYS A 23 -9.442 -3.338 8.686 1.00 0.00 N ATOM 0 H LYS A 23 -5.475 -0.689 6.872 1.00 0.00 H new ATOM 0 HA LYS A 23 -8.177 -0.483 8.017 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -5.401 0.146 9.096 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -6.876 0.534 9.958 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -5.981 -2.256 9.144 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -5.875 -1.576 10.756 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -8.020 -2.111 11.201 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -8.585 -1.277 9.767 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -7.350 -3.631 8.802 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -8.234 -4.139 10.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -9.754 -4.312 8.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -10.173 -2.839 9.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -9.286 -2.844 7.784 1.00 0.00 H new ATOM 351 N VAL A 24 -6.692 1.860 6.480 1.00 0.00 N ATOM 352 CA VAL A 24 -6.821 3.236 6.014 1.00 0.00 C ATOM 353 C VAL A 24 -8.108 3.407 5.218 1.00 0.00 C ATOM 354 O VAL A 24 -9.033 4.083 5.660 1.00 0.00 O ATOM 355 CB VAL A 24 -5.611 3.668 5.142 1.00 0.00 C ATOM 356 CG1 VAL A 24 -5.934 4.899 4.300 1.00 0.00 C ATOM 357 CG2 VAL A 24 -4.396 3.944 6.009 1.00 0.00 C ATOM 0 H VAL A 24 -6.055 1.285 5.929 1.00 0.00 H new ATOM 0 HA VAL A 24 -6.847 3.874 6.897 1.00 0.00 H new ATOM 0 HB VAL A 24 -5.389 2.842 4.466 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -5.063 5.171 3.704 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -6.772 4.678 3.639 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -6.198 5.729 4.955 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -3.560 4.245 5.378 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -4.626 4.744 6.713 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -4.129 3.042 6.559 1.00 0.00 H new ATOM 367 N ASN A 25 -8.159 2.762 4.061 1.00 0.00 N ATOM 368 CA ASN A 25 -9.261 2.915 3.116 1.00 0.00 C ATOM 369 C ASN A 25 -8.994 1.994 1.940 1.00 0.00 C ATOM 370 O ASN A 25 -7.981 1.297 1.929 1.00 0.00 O ATOM 371 CB ASN A 25 -9.351 4.368 2.619 1.00 0.00 C ATOM 372 CG ASN A 25 -10.645 5.064 3.009 1.00 0.00 C ATOM 373 OD1 ASN A 25 -11.638 5.021 2.279 1.00 0.00 O ATOM 374 ND2 ASN A 25 -10.635 5.726 4.154 1.00 0.00 N ATOM 0 H ASN A 25 -7.435 2.115 3.748 1.00 0.00 H new ATOM 0 HA ASN A 25 -10.203 2.664 3.603 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -8.509 4.933 3.019 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -9.255 4.379 1.533 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -11.469 6.225 4.462 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -9.793 5.737 4.729 1.00 0.00 H new ATOM 381 N LYS A 26 -9.877 1.981 0.955 1.00 0.00 N ATOM 382 CA LYS A 26 -9.600 1.241 -0.269 1.00 0.00 C ATOM 383 C LYS A 26 -8.731 2.089 -1.190 1.00 0.00 C ATOM 384 O LYS A 26 -8.084 1.583 -2.097 1.00 0.00 O ATOM 385 CB LYS A 26 -10.895 0.832 -0.977 1.00 0.00 C ATOM 386 CG LYS A 26 -11.505 -0.469 -0.466 1.00 0.00 C ATOM 387 CD LYS A 26 -10.475 -1.351 0.227 1.00 0.00 C ATOM 388 CE LYS A 26 -11.136 -2.361 1.148 1.00 0.00 C ATOM 389 NZ LYS A 26 -11.520 -1.755 2.449 1.00 0.00 N ATOM 0 H LYS A 26 -10.775 2.464 0.975 1.00 0.00 H new ATOM 0 HA LYS A 26 -9.066 0.327 -0.009 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -11.626 1.632 -0.863 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -10.696 0.732 -2.044 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -12.313 -0.242 0.229 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -11.946 -1.014 -1.300 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -9.880 -1.874 -0.522 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -9.789 -0.728 0.801 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -12.022 -2.770 0.662 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -10.455 -3.194 1.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -11.968 -2.477 3.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -10.671 -1.387 2.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -12.190 -0.977 2.285 1.00 0.00 H new ATOM 403 N HIS A 27 -8.722 3.388 -0.934 1.00 0.00 N ATOM 404 CA HIS A 27 -7.900 4.316 -1.694 1.00 0.00 C ATOM 405 C HIS A 27 -7.176 5.266 -0.747 1.00 0.00 C ATOM 406 O HIS A 27 -7.813 6.014 -0.008 1.00 0.00 O ATOM 407 CB HIS A 27 -8.760 5.110 -2.678 1.00 0.00 C ATOM 408 CG HIS A 27 -8.120 5.300 -4.017 1.00 0.00 C ATOM 409 ND1 HIS A 27 -8.677 4.842 -5.190 1.00 0.00 N ATOM 410 CD2 HIS A 27 -6.964 5.903 -4.365 1.00 0.00 C ATOM 411 CE1 HIS A 27 -7.887 5.150 -6.200 1.00 0.00 C ATOM 412 NE2 HIS A 27 -6.839 5.797 -5.726 1.00 0.00 N ATOM 0 H HIS A 27 -9.279 3.826 -0.200 1.00 0.00 H new ATOM 0 HA HIS A 27 -7.163 3.746 -2.259 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -9.713 4.598 -2.810 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -8.980 6.087 -2.248 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -6.266 6.381 -3.694 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -8.067 4.913 -7.238 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -6.063 6.159 -6.281 1.00 0.00 H new ATOM 421 N PRO A 28 -5.839 5.228 -0.739 1.00 0.00 N ATOM 422 CA PRO A 28 -5.031 6.089 0.131 1.00 0.00 C ATOM 423 C PRO A 28 -5.102 7.564 -0.267 1.00 0.00 C ATOM 424 O PRO A 28 -5.310 7.898 -1.438 1.00 0.00 O ATOM 425 CB PRO A 28 -3.608 5.556 -0.057 1.00 0.00 C ATOM 426 CG PRO A 28 -3.620 4.888 -1.388 1.00 0.00 C ATOM 427 CD PRO A 28 -5.006 4.332 -1.562 1.00 0.00 C ATOM 0 HA PRO A 28 -5.382 6.058 1.163 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -2.877 6.364 -0.027 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -3.341 4.855 0.734 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -3.381 5.596 -2.182 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -2.873 4.095 -1.433 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -5.315 4.343 -2.607 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -5.070 3.298 -1.222 1.00 0.00 H new ATOM 435 N ASP A 29 -4.934 8.438 0.716 1.00 0.00 N ATOM 436 CA ASP A 29 -4.919 9.876 0.480 1.00 0.00 C ATOM 437 C ASP A 29 -3.546 10.447 0.835 1.00 0.00 C ATOM 438 O ASP A 29 -2.825 9.864 1.648 1.00 0.00 O ATOM 439 CB ASP A 29 -6.027 10.574 1.285 1.00 0.00 C ATOM 440 CG ASP A 29 -5.720 10.678 2.767 1.00 0.00 C ATOM 441 OD1 ASP A 29 -5.026 11.632 3.174 1.00 0.00 O ATOM 442 OD2 ASP A 29 -6.179 9.812 3.535 1.00 0.00 O ATOM 0 H ASP A 29 -4.805 8.173 1.693 1.00 0.00 H new ATOM 0 HA ASP A 29 -5.111 10.059 -0.577 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -6.183 11.575 0.883 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -6.961 10.028 1.152 1.00 0.00 H new ATOM 447 N PRO A 30 -3.168 11.589 0.221 1.00 0.00 N ATOM 448 CA PRO A 30 -1.843 12.207 0.406 1.00 0.00 C ATOM 449 C PRO A 30 -1.491 12.454 1.872 1.00 0.00 C ATOM 450 O PRO A 30 -0.388 12.129 2.316 1.00 0.00 O ATOM 451 CB PRO A 30 -1.961 13.539 -0.337 1.00 0.00 C ATOM 452 CG PRO A 30 -3.031 13.317 -1.346 1.00 0.00 C ATOM 453 CD PRO A 30 -4.005 12.367 -0.712 1.00 0.00 C ATOM 0 HA PRO A 30 -1.051 11.556 0.036 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -2.221 14.350 0.343 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -1.019 13.812 -0.813 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -3.518 14.255 -1.612 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -2.620 12.899 -2.265 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -4.801 12.897 -0.190 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -4.482 11.726 -1.454 1.00 0.00 H new ATOM 461 N THR A 31 -2.430 13.024 2.617 1.00 0.00 N ATOM 462 CA THR A 31 -2.219 13.324 4.027 1.00 0.00 C ATOM 463 C THR A 31 -1.894 12.053 4.809 1.00 0.00 C ATOM 464 O THR A 31 -0.931 12.013 5.578 1.00 0.00 O ATOM 465 CB THR A 31 -3.462 14.002 4.634 1.00 0.00 C ATOM 466 OG1 THR A 31 -4.492 14.102 3.637 1.00 0.00 O ATOM 467 CG2 THR A 31 -3.121 15.387 5.163 1.00 0.00 C ATOM 0 H THR A 31 -3.350 13.289 2.265 1.00 0.00 H new ATOM 0 HA THR A 31 -1.373 14.008 4.098 1.00 0.00 H new ATOM 0 HB THR A 31 -3.816 13.394 5.467 1.00 0.00 H new ATOM 0 HG1 THR A 31 -5.047 13.295 3.658 1.00 0.00 H new ATOM 0 HG21 THR A 31 -4.015 15.845 5.586 1.00 0.00 H new ATOM 0 HG22 THR A 31 -2.356 15.303 5.935 1.00 0.00 H new ATOM 0 HG23 THR A 31 -2.748 16.006 4.347 1.00 0.00 H new ATOM 475 N THR A 32 -2.688 11.011 4.585 1.00 0.00 N ATOM 476 CA THR A 32 -2.451 9.721 5.206 1.00 0.00 C ATOM 477 C THR A 32 -1.100 9.159 4.772 1.00 0.00 C ATOM 478 O THR A 32 -0.313 8.721 5.604 1.00 0.00 O ATOM 479 CB THR A 32 -3.575 8.725 4.852 1.00 0.00 C ATOM 480 OG1 THR A 32 -4.776 9.091 5.540 1.00 0.00 O ATOM 481 CG2 THR A 32 -3.194 7.296 5.208 1.00 0.00 C ATOM 0 H THR A 32 -3.504 11.040 3.974 1.00 0.00 H new ATOM 0 HA THR A 32 -2.443 9.864 6.287 1.00 0.00 H new ATOM 0 HB THR A 32 -3.735 8.769 3.775 1.00 0.00 H new ATOM 0 HG1 THR A 32 -5.523 9.110 4.906 1.00 0.00 H new ATOM 0 HG21 THR A 32 -4.011 6.625 4.944 1.00 0.00 H new ATOM 0 HG22 THR A 32 -2.298 7.011 4.658 1.00 0.00 H new ATOM 0 HG23 THR A 32 -3.000 7.227 6.278 1.00 0.00 H new ATOM 489 N LEU A 33 -0.827 9.216 3.475 1.00 0.00 N ATOM 490 CA LEU A 33 0.413 8.683 2.924 1.00 0.00 C ATOM 491 C LEU A 33 1.633 9.305 3.602 1.00 0.00 C ATOM 492 O LEU A 33 2.575 8.604 3.970 1.00 0.00 O ATOM 493 CB LEU A 33 0.466 8.932 1.416 1.00 0.00 C ATOM 494 CG LEU A 33 1.430 8.034 0.645 1.00 0.00 C ATOM 495 CD1 LEU A 33 0.736 6.755 0.202 1.00 0.00 C ATOM 496 CD2 LEU A 33 1.998 8.774 -0.552 1.00 0.00 C ATOM 0 H LEU A 33 -1.451 9.628 2.781 1.00 0.00 H new ATOM 0 HA LEU A 33 0.433 7.610 3.113 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.535 8.800 1.006 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.746 9.971 1.245 1.00 0.00 H new ATOM 0 HG LEU A 33 2.252 7.763 1.307 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.441 6.129 -0.346 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.376 6.215 1.077 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.106 7.003 -0.444 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.684 8.121 -1.092 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.185 9.073 -1.214 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.534 9.660 -0.211 1.00 0.00 H new ATOM 508 N CYS A 34 1.598 10.618 3.786 1.00 0.00 N ATOM 509 CA CYS A 34 2.697 11.328 4.422 1.00 0.00 C ATOM 510 C CYS A 34 2.807 10.966 5.901 1.00 0.00 C ATOM 511 O CYS A 34 3.910 10.839 6.434 1.00 0.00 O ATOM 512 CB CYS A 34 2.507 12.838 4.263 1.00 0.00 C ATOM 513 SG CYS A 34 2.803 13.443 2.583 1.00 0.00 S ATOM 0 H CYS A 34 0.819 11.213 3.503 1.00 0.00 H new ATOM 0 HA CYS A 34 3.623 11.028 3.932 1.00 0.00 H new ATOM 0 HB2 CYS A 34 1.491 13.099 4.559 1.00 0.00 H new ATOM 0 HB3 CYS A 34 3.181 13.353 4.948 1.00 0.00 H new ATOM 0 HG CYS A 34 4.035 13.203 2.246 1.00 0.00 H new ATOM 519 N LEU A 35 1.667 10.791 6.558 1.00 0.00 N ATOM 520 CA LEU A 35 1.651 10.523 7.991 1.00 0.00 C ATOM 521 C LEU A 35 2.021 9.069 8.302 1.00 0.00 C ATOM 522 O LEU A 35 2.852 8.803 9.170 1.00 0.00 O ATOM 523 CB LEU A 35 0.279 10.895 8.581 1.00 0.00 C ATOM 524 CG LEU A 35 -0.562 9.741 9.142 1.00 0.00 C ATOM 525 CD1 LEU A 35 -0.473 9.698 10.660 1.00 0.00 C ATOM 526 CD2 LEU A 35 -2.011 9.872 8.698 1.00 0.00 C ATOM 0 H LEU A 35 0.745 10.830 6.124 1.00 0.00 H new ATOM 0 HA LEU A 35 2.411 11.146 8.463 1.00 0.00 H new ATOM 0 HB2 LEU A 35 0.436 11.621 9.379 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.302 11.394 7.805 1.00 0.00 H new ATOM 0 HG LEU A 35 -0.163 8.806 8.749 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.077 8.872 11.037 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.565 9.555 10.960 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.844 10.636 11.073 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -2.593 9.045 9.105 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.419 10.816 9.061 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -2.061 9.850 7.609 1.00 0.00 H new ATOM 538 N ILE A 36 1.431 8.128 7.573 1.00 0.00 N ATOM 539 CA ILE A 36 1.647 6.710 7.847 1.00 0.00 C ATOM 540 C ILE A 36 3.052 6.278 7.446 1.00 0.00 C ATOM 541 O ILE A 36 3.589 5.313 7.988 1.00 0.00 O ATOM 542 CB ILE A 36 0.610 5.811 7.142 1.00 0.00 C ATOM 543 CG1 ILE A 36 0.750 5.895 5.622 1.00 0.00 C ATOM 544 CG2 ILE A 36 -0.798 6.198 7.568 1.00 0.00 C ATOM 545 CD1 ILE A 36 0.443 4.593 4.923 1.00 0.00 C ATOM 0 H ILE A 36 0.803 8.319 6.792 1.00 0.00 H new ATOM 0 HA ILE A 36 1.526 6.586 8.923 1.00 0.00 H new ATOM 0 HB ILE A 36 0.797 4.779 7.440 1.00 0.00 H new ATOM 0 HG12 ILE A 36 0.082 6.669 5.244 1.00 0.00 H new ATOM 0 HG13 ILE A 36 1.766 6.202 5.374 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -1.520 5.556 7.063 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -0.898 6.078 8.647 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -0.987 7.237 7.299 1.00 0.00 H new ATOM 0 HD11 ILE A 36 0.561 4.721 3.847 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.128 3.821 5.274 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -0.582 4.295 5.143 1.00 0.00 H new ATOM 557 N ALA A 37 3.638 6.997 6.497 1.00 0.00 N ATOM 558 CA ALA A 37 5.010 6.740 6.083 1.00 0.00 C ATOM 559 C ALA A 37 5.954 6.906 7.267 1.00 0.00 C ATOM 560 O ALA A 37 6.835 6.081 7.491 1.00 0.00 O ATOM 561 CB ALA A 37 5.409 7.672 4.945 1.00 0.00 C ATOM 0 H ALA A 37 3.184 7.763 6.000 1.00 0.00 H new ATOM 0 HA ALA A 37 5.080 5.714 5.723 1.00 0.00 H new ATOM 0 HB1 ALA A 37 6.437 7.465 4.649 1.00 0.00 H new ATOM 0 HB2 ALA A 37 4.747 7.511 4.094 1.00 0.00 H new ATOM 0 HB3 ALA A 37 5.328 8.707 5.277 1.00 0.00 H new ATOM 567 N ALA A 38 5.739 7.965 8.039 1.00 0.00 N ATOM 568 CA ALA A 38 6.550 8.233 9.220 1.00 0.00 C ATOM 569 C ALA A 38 6.299 7.183 10.296 1.00 0.00 C ATOM 570 O ALA A 38 7.212 6.783 11.019 1.00 0.00 O ATOM 571 CB ALA A 38 6.264 9.627 9.758 1.00 0.00 C ATOM 0 H ALA A 38 5.007 8.654 7.867 1.00 0.00 H new ATOM 0 HA ALA A 38 7.600 8.183 8.932 1.00 0.00 H new ATOM 0 HB1 ALA A 38 6.878 9.810 10.640 1.00 0.00 H new ATOM 0 HB2 ALA A 38 6.498 10.367 8.993 1.00 0.00 H new ATOM 0 HB3 ALA A 38 5.211 9.704 10.027 1.00 0.00 H new ATOM 577 N GLU A 39 5.056 6.732 10.385 1.00 0.00 N ATOM 578 CA GLU A 39 4.677 5.718 11.357 1.00 0.00 C ATOM 579 C GLU A 39 5.306 4.368 11.015 1.00 0.00 C ATOM 580 O GLU A 39 5.774 3.648 11.899 1.00 0.00 O ATOM 581 CB GLU A 39 3.155 5.587 11.410 1.00 0.00 C ATOM 582 CG GLU A 39 2.625 5.157 12.769 1.00 0.00 C ATOM 583 CD GLU A 39 3.002 6.116 13.879 1.00 0.00 C ATOM 584 OE1 GLU A 39 3.000 7.344 13.642 1.00 0.00 O ATOM 585 OE2 GLU A 39 3.300 5.648 14.998 1.00 0.00 O ATOM 0 H GLU A 39 4.290 7.054 9.793 1.00 0.00 H new ATOM 0 HA GLU A 39 5.046 6.028 12.335 1.00 0.00 H new ATOM 0 HB2 GLU A 39 2.707 6.544 11.142 1.00 0.00 H new ATOM 0 HB3 GLU A 39 2.835 4.864 10.660 1.00 0.00 H new ATOM 0 HG2 GLU A 39 1.539 5.074 12.720 1.00 0.00 H new ATOM 0 HG3 GLU A 39 3.010 4.165 13.006 1.00 0.00 H new ATOM 592 N ALA A 40 5.317 4.028 9.731 1.00 0.00 N ATOM 593 CA ALA A 40 5.882 2.760 9.280 1.00 0.00 C ATOM 594 C ALA A 40 7.403 2.827 9.190 1.00 0.00 C ATOM 595 O ALA A 40 8.082 1.802 9.240 1.00 0.00 O ATOM 596 CB ALA A 40 5.289 2.369 7.931 1.00 0.00 C ATOM 0 H ALA A 40 4.941 4.612 8.984 1.00 0.00 H new ATOM 0 HA ALA A 40 5.625 1.999 10.017 1.00 0.00 H new ATOM 0 HB1 ALA A 40 5.719 1.422 7.606 1.00 0.00 H new ATOM 0 HB2 ALA A 40 4.208 2.264 8.025 1.00 0.00 H new ATOM 0 HB3 ALA A 40 5.516 3.142 7.196 1.00 0.00 H new ATOM 602 N GLY A 41 7.932 4.035 9.059 1.00 0.00 N ATOM 603 CA GLY A 41 9.369 4.208 8.971 1.00 0.00 C ATOM 604 C GLY A 41 9.867 4.194 7.539 1.00 0.00 C ATOM 605 O GLY A 41 10.946 3.676 7.252 1.00 0.00 O ATOM 0 H GLY A 41 7.392 4.899 9.012 1.00 0.00 H new ATOM 0 HA2 GLY A 41 9.648 5.151 9.440 1.00 0.00 H new ATOM 0 HA3 GLY A 41 9.863 3.415 9.532 1.00 0.00 H new ATOM 609 N LEU A 42 9.078 4.769 6.641 1.00 0.00 N ATOM 610 CA LEU A 42 9.420 4.813 5.226 1.00 0.00 C ATOM 611 C LEU A 42 9.169 6.209 4.674 1.00 0.00 C ATOM 612 O LEU A 42 8.658 7.078 5.381 1.00 0.00 O ATOM 613 CB LEU A 42 8.588 3.790 4.447 1.00 0.00 C ATOM 614 CG LEU A 42 9.115 2.356 4.480 1.00 0.00 C ATOM 615 CD1 LEU A 42 8.045 1.389 4.005 1.00 0.00 C ATOM 616 CD2 LEU A 42 10.365 2.226 3.628 1.00 0.00 C ATOM 0 H LEU A 42 8.190 5.215 6.870 1.00 0.00 H new ATOM 0 HA LEU A 42 10.476 4.568 5.114 1.00 0.00 H new ATOM 0 HB2 LEU A 42 7.573 3.795 4.843 1.00 0.00 H new ATOM 0 HB3 LEU A 42 8.526 4.113 3.408 1.00 0.00 H new ATOM 0 HG LEU A 42 9.375 2.108 5.509 1.00 0.00 H new ATOM 0 HD11 LEU A 42 8.435 0.372 4.034 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.174 1.462 4.656 1.00 0.00 H new ATOM 0 HD13 LEU A 42 7.757 1.638 2.984 1.00 0.00 H new ATOM 0 HD21 LEU A 42 10.725 1.198 3.664 1.00 0.00 H new ATOM 0 HD22 LEU A 42 10.132 2.493 2.597 1.00 0.00 H new ATOM 0 HD23 LEU A 42 11.137 2.894 4.010 1.00 0.00 H new ATOM 628 N THR A 43 9.536 6.429 3.422 1.00 0.00 N ATOM 629 CA THR A 43 9.276 7.701 2.768 1.00 0.00 C ATOM 630 C THR A 43 8.025 7.606 1.902 1.00 0.00 C ATOM 631 O THR A 43 7.467 6.519 1.724 1.00 0.00 O ATOM 632 CB THR A 43 10.473 8.130 1.904 1.00 0.00 C ATOM 633 OG1 THR A 43 11.221 6.975 1.507 1.00 0.00 O ATOM 634 CG2 THR A 43 11.378 9.084 2.670 1.00 0.00 C ATOM 0 H THR A 43 10.015 5.743 2.838 1.00 0.00 H new ATOM 0 HA THR A 43 9.120 8.451 3.543 1.00 0.00 H new ATOM 0 HB THR A 43 10.094 8.644 1.021 1.00 0.00 H new ATOM 0 HG1 THR A 43 11.982 7.252 0.955 1.00 0.00 H new ATOM 0 HG21 THR A 43 12.218 9.374 2.039 1.00 0.00 H new ATOM 0 HG22 THR A 43 10.813 9.972 2.954 1.00 0.00 H new ATOM 0 HG23 THR A 43 11.752 8.590 3.567 1.00 0.00 H new ATOM 642 N GLU A 44 7.595 8.737 1.360 1.00 0.00 N ATOM 643 CA GLU A 44 6.361 8.801 0.586 1.00 0.00 C ATOM 644 C GLU A 44 6.419 7.907 -0.646 1.00 0.00 C ATOM 645 O GLU A 44 5.506 7.118 -0.883 1.00 0.00 O ATOM 646 CB GLU A 44 6.084 10.241 0.162 1.00 0.00 C ATOM 647 CG GLU A 44 5.374 11.060 1.226 1.00 0.00 C ATOM 648 CD GLU A 44 6.270 12.111 1.839 1.00 0.00 C ATOM 649 OE1 GLU A 44 7.479 11.849 1.994 1.00 0.00 O ATOM 650 OE2 GLU A 44 5.768 13.210 2.160 1.00 0.00 O ATOM 0 H GLU A 44 8.085 9.628 1.442 1.00 0.00 H new ATOM 0 HA GLU A 44 5.554 8.442 1.224 1.00 0.00 H new ATOM 0 HB2 GLU A 44 7.028 10.726 -0.089 1.00 0.00 H new ATOM 0 HB3 GLU A 44 5.479 10.234 -0.744 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.501 11.543 0.786 1.00 0.00 H new ATOM 0 HG3 GLU A 44 5.010 10.395 2.009 1.00 0.00 H new ATOM 657 N GLU A 45 7.497 8.024 -1.413 1.00 0.00 N ATOM 658 CA GLU A 45 7.637 7.288 -2.665 1.00 0.00 C ATOM 659 C GLU A 45 7.513 5.782 -2.445 1.00 0.00 C ATOM 660 O GLU A 45 6.739 5.114 -3.124 1.00 0.00 O ATOM 661 CB GLU A 45 8.981 7.613 -3.323 1.00 0.00 C ATOM 662 CG GLU A 45 9.139 7.029 -4.720 1.00 0.00 C ATOM 663 CD GLU A 45 8.165 7.619 -5.724 1.00 0.00 C ATOM 664 OE1 GLU A 45 7.720 8.769 -5.529 1.00 0.00 O ATOM 665 OE2 GLU A 45 7.848 6.935 -6.722 1.00 0.00 O ATOM 0 H GLU A 45 8.290 8.624 -1.189 1.00 0.00 H new ATOM 0 HA GLU A 45 6.828 7.599 -3.326 1.00 0.00 H new ATOM 0 HB2 GLU A 45 9.096 8.696 -3.377 1.00 0.00 H new ATOM 0 HB3 GLU A 45 9.785 7.238 -2.690 1.00 0.00 H new ATOM 0 HG2 GLU A 45 10.158 7.201 -5.067 1.00 0.00 H new ATOM 0 HG3 GLU A 45 8.996 5.949 -4.675 1.00 0.00 H new ATOM 672 N GLN A 46 8.250 5.264 -1.468 1.00 0.00 N ATOM 673 CA GLN A 46 8.276 3.826 -1.206 1.00 0.00 C ATOM 674 C GLN A 46 6.898 3.319 -0.797 1.00 0.00 C ATOM 675 O GLN A 46 6.427 2.297 -1.297 1.00 0.00 O ATOM 676 CB GLN A 46 9.294 3.488 -0.115 1.00 0.00 C ATOM 677 CG GLN A 46 10.550 4.347 -0.148 1.00 0.00 C ATOM 678 CD GLN A 46 11.492 3.971 -1.274 1.00 0.00 C ATOM 679 OE1 GLN A 46 11.085 3.843 -2.428 1.00 0.00 O ATOM 680 NE2 GLN A 46 12.763 3.794 -0.949 1.00 0.00 N ATOM 0 H GLN A 46 8.838 5.817 -0.844 1.00 0.00 H new ATOM 0 HA GLN A 46 8.572 3.330 -2.131 1.00 0.00 H new ATOM 0 HB2 GLN A 46 8.817 3.599 0.859 1.00 0.00 H new ATOM 0 HB3 GLN A 46 9.580 2.441 -0.212 1.00 0.00 H new ATOM 0 HG2 GLN A 46 10.265 5.394 -0.253 1.00 0.00 H new ATOM 0 HG3 GLN A 46 11.073 4.253 0.803 1.00 0.00 H new ATOM 0 HE21 GLN A 46 13.063 3.909 0.019 1.00 0.00 H new ATOM 0 HE22 GLN A 46 13.443 3.543 -1.667 1.00 0.00 H new ATOM 689 N THR A 47 6.258 4.046 0.107 1.00 0.00 N ATOM 690 CA THR A 47 4.932 3.687 0.589 1.00 0.00 C ATOM 691 C THR A 47 3.893 3.797 -0.531 1.00 0.00 C ATOM 692 O THR A 47 3.034 2.928 -0.684 1.00 0.00 O ATOM 693 CB THR A 47 4.526 4.591 1.771 1.00 0.00 C ATOM 694 OG1 THR A 47 5.653 4.797 2.634 1.00 0.00 O ATOM 695 CG2 THR A 47 3.385 3.977 2.566 1.00 0.00 C ATOM 0 H THR A 47 6.639 4.895 0.525 1.00 0.00 H new ATOM 0 HA THR A 47 4.967 2.652 0.928 1.00 0.00 H new ATOM 0 HB THR A 47 4.189 5.546 1.367 1.00 0.00 H new ATOM 0 HG1 THR A 47 6.130 5.608 2.361 1.00 0.00 H new ATOM 0 HG21 THR A 47 3.121 4.637 3.392 1.00 0.00 H new ATOM 0 HG22 THR A 47 2.519 3.844 1.917 1.00 0.00 H new ATOM 0 HG23 THR A 47 3.695 3.009 2.960 1.00 0.00 H new ATOM 703 N GLN A 48 4.000 4.853 -1.328 1.00 0.00 N ATOM 704 CA GLN A 48 3.057 5.109 -2.410 1.00 0.00 C ATOM 705 C GLN A 48 3.104 4.003 -3.463 1.00 0.00 C ATOM 706 O GLN A 48 2.063 3.513 -3.904 1.00 0.00 O ATOM 707 CB GLN A 48 3.366 6.459 -3.057 1.00 0.00 C ATOM 708 CG GLN A 48 2.359 6.884 -4.113 1.00 0.00 C ATOM 709 CD GLN A 48 2.830 8.080 -4.912 1.00 0.00 C ATOM 710 OE1 GLN A 48 2.054 8.979 -5.224 1.00 0.00 O ATOM 711 NE2 GLN A 48 4.108 8.097 -5.253 1.00 0.00 N ATOM 0 H GLN A 48 4.738 5.552 -1.244 1.00 0.00 H new ATOM 0 HA GLN A 48 2.053 5.128 -1.987 1.00 0.00 H new ATOM 0 HB2 GLN A 48 3.406 7.222 -2.280 1.00 0.00 H new ATOM 0 HB3 GLN A 48 4.356 6.415 -3.511 1.00 0.00 H new ATOM 0 HG2 GLN A 48 2.172 6.050 -4.789 1.00 0.00 H new ATOM 0 HG3 GLN A 48 1.411 7.123 -3.631 1.00 0.00 H new ATOM 0 HE21 GLN A 48 4.720 7.330 -4.974 1.00 0.00 H new ATOM 0 HE22 GLN A 48 4.481 8.877 -5.795 1.00 0.00 H new ATOM 720 N LYS A 49 4.314 3.613 -3.852 1.00 0.00 N ATOM 721 CA LYS A 49 4.495 2.585 -4.871 1.00 0.00 C ATOM 722 C LYS A 49 3.906 1.256 -4.412 1.00 0.00 C ATOM 723 O LYS A 49 3.301 0.526 -5.199 1.00 0.00 O ATOM 724 CB LYS A 49 5.981 2.411 -5.201 1.00 0.00 C ATOM 725 CG LYS A 49 6.622 3.647 -5.811 1.00 0.00 C ATOM 726 CD LYS A 49 6.871 3.476 -7.298 1.00 0.00 C ATOM 727 CE LYS A 49 8.356 3.389 -7.608 1.00 0.00 C ATOM 728 NZ LYS A 49 8.996 4.732 -7.660 1.00 0.00 N ATOM 0 H LYS A 49 5.183 3.993 -3.477 1.00 0.00 H new ATOM 0 HA LYS A 49 3.969 2.907 -5.770 1.00 0.00 H new ATOM 0 HB2 LYS A 49 6.518 2.147 -4.290 1.00 0.00 H new ATOM 0 HB3 LYS A 49 6.095 1.575 -5.892 1.00 0.00 H new ATOM 0 HG2 LYS A 49 5.976 4.510 -5.647 1.00 0.00 H new ATOM 0 HG3 LYS A 49 7.565 3.854 -5.306 1.00 0.00 H new ATOM 0 HD2 LYS A 49 6.371 2.574 -7.650 1.00 0.00 H new ATOM 0 HD3 LYS A 49 6.434 4.315 -7.840 1.00 0.00 H new ATOM 0 HE2 LYS A 49 8.849 2.782 -6.849 1.00 0.00 H new ATOM 0 HE3 LYS A 49 8.498 2.883 -8.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 9.070 5.043 -8.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 8.419 5.412 -7.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 9.946 4.680 -7.241 1.00 0.00 H new ATOM 742 N TRP A 50 4.069 0.956 -3.129 1.00 0.00 N ATOM 743 CA TRP A 50 3.553 -0.280 -2.564 1.00 0.00 C ATOM 744 C TRP A 50 2.024 -0.260 -2.533 1.00 0.00 C ATOM 745 O TRP A 50 1.373 -1.221 -2.954 1.00 0.00 O ATOM 746 CB TRP A 50 4.115 -0.491 -1.155 1.00 0.00 C ATOM 747 CG TRP A 50 3.703 -1.790 -0.537 1.00 0.00 C ATOM 748 CD1 TRP A 50 4.399 -2.963 -0.547 1.00 0.00 C ATOM 749 CD2 TRP A 50 2.496 -2.047 0.180 1.00 0.00 C ATOM 750 NE1 TRP A 50 3.695 -3.931 0.124 1.00 0.00 N ATOM 751 CE2 TRP A 50 2.522 -3.394 0.576 1.00 0.00 C ATOM 752 CE3 TRP A 50 1.394 -1.264 0.524 1.00 0.00 C ATOM 753 CZ2 TRP A 50 1.485 -3.974 1.299 1.00 0.00 C ATOM 754 CZ3 TRP A 50 0.371 -1.836 1.241 1.00 0.00 C ATOM 755 CH2 TRP A 50 0.418 -3.180 1.621 1.00 0.00 C ATOM 0 H TRP A 50 4.555 1.554 -2.461 1.00 0.00 H new ATOM 0 HA TRP A 50 3.871 -1.110 -3.195 1.00 0.00 H new ATOM 0 HB2 TRP A 50 5.203 -0.446 -1.196 1.00 0.00 H new ATOM 0 HB3 TRP A 50 3.786 0.328 -0.515 1.00 0.00 H new ATOM 0 HD1 TRP A 50 5.362 -3.108 -1.014 1.00 0.00 H new ATOM 0 HE1 TRP A 50 3.998 -4.895 0.263 1.00 0.00 H new ATOM 0 HE3 TRP A 50 1.346 -0.225 0.232 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 1.521 -5.012 1.595 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -0.484 -1.237 1.516 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -0.405 -3.601 2.180 1.00 0.00 H new ATOM 766 N PHE A 51 1.455 0.840 -2.038 1.00 0.00 N ATOM 767 CA PHE A 51 0.001 0.979 -1.940 1.00 0.00 C ATOM 768 C PHE A 51 -0.637 0.884 -3.322 1.00 0.00 C ATOM 769 O PHE A 51 -1.728 0.336 -3.478 1.00 0.00 O ATOM 770 CB PHE A 51 -0.378 2.312 -1.275 1.00 0.00 C ATOM 771 CG PHE A 51 -0.480 2.238 0.231 1.00 0.00 C ATOM 772 CD1 PHE A 51 0.632 1.927 0.996 1.00 0.00 C ATOM 773 CD2 PHE A 51 -1.683 2.476 0.880 1.00 0.00 C ATOM 774 CE1 PHE A 51 0.548 1.854 2.371 1.00 0.00 C ATOM 775 CE2 PHE A 51 -1.771 2.407 2.256 1.00 0.00 C ATOM 776 CZ PHE A 51 -0.656 2.094 3.002 1.00 0.00 C ATOM 0 H PHE A 51 1.978 1.647 -1.699 1.00 0.00 H new ATOM 0 HA PHE A 51 -0.375 0.165 -1.320 1.00 0.00 H new ATOM 0 HB2 PHE A 51 0.364 3.064 -1.543 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -1.333 2.649 -1.678 1.00 0.00 H new ATOM 0 HD1 PHE A 51 1.578 1.739 0.509 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -2.562 2.718 0.301 1.00 0.00 H new ATOM 0 HE1 PHE A 51 1.424 1.609 2.954 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -2.714 2.598 2.747 1.00 0.00 H new ATOM 0 HZ PHE A 51 -0.724 2.037 4.078 1.00 0.00 H new ATOM 786 N LYS A 52 0.070 1.402 -4.322 1.00 0.00 N ATOM 787 CA LYS A 52 -0.388 1.358 -5.707 1.00 0.00 C ATOM 788 C LYS A 52 -0.585 -0.083 -6.174 1.00 0.00 C ATOM 789 O LYS A 52 -1.564 -0.399 -6.853 1.00 0.00 O ATOM 790 CB LYS A 52 0.624 2.048 -6.618 1.00 0.00 C ATOM 791 CG LYS A 52 0.372 3.534 -6.814 1.00 0.00 C ATOM 792 CD LYS A 52 1.243 4.101 -7.925 1.00 0.00 C ATOM 793 CE LYS A 52 1.784 5.476 -7.568 1.00 0.00 C ATOM 794 NZ LYS A 52 1.152 6.547 -8.383 1.00 0.00 N ATOM 0 H LYS A 52 0.972 1.862 -4.196 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.344 1.878 -5.759 1.00 0.00 H new ATOM 0 HB2 LYS A 52 1.622 1.912 -6.203 1.00 0.00 H new ATOM 0 HB3 LYS A 52 0.614 1.557 -7.591 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -0.679 3.698 -7.053 1.00 0.00 H new ATOM 0 HG3 LYS A 52 0.574 4.065 -5.884 1.00 0.00 H new ATOM 0 HD2 LYS A 52 2.073 3.422 -8.119 1.00 0.00 H new ATOM 0 HD3 LYS A 52 0.663 4.166 -8.845 1.00 0.00 H new ATOM 0 HE2 LYS A 52 1.608 5.672 -6.510 1.00 0.00 H new ATOM 0 HE3 LYS A 52 2.863 5.493 -7.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 1.547 7.470 -8.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 1.341 6.374 -9.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 0.125 6.548 -8.219 1.00 0.00 H new ATOM 808 N GLN A 53 0.350 -0.951 -5.802 1.00 0.00 N ATOM 809 CA GLN A 53 0.310 -2.351 -6.209 1.00 0.00 C ATOM 810 C GLN A 53 -0.902 -3.061 -5.605 1.00 0.00 C ATOM 811 O GLN A 53 -1.500 -3.941 -6.232 1.00 0.00 O ATOM 812 CB GLN A 53 1.617 -3.053 -5.800 1.00 0.00 C ATOM 813 CG GLN A 53 1.428 -4.341 -5.007 1.00 0.00 C ATOM 814 CD GLN A 53 2.680 -5.191 -4.974 1.00 0.00 C ATOM 815 OE1 GLN A 53 3.415 -5.200 -3.985 1.00 0.00 O ATOM 816 NE2 GLN A 53 2.916 -5.928 -6.048 1.00 0.00 N ATOM 0 H GLN A 53 1.149 -0.708 -5.216 1.00 0.00 H new ATOM 0 HA GLN A 53 0.213 -2.396 -7.294 1.00 0.00 H new ATOM 0 HB2 GLN A 53 2.190 -3.277 -6.700 1.00 0.00 H new ATOM 0 HB3 GLN A 53 2.214 -2.361 -5.206 1.00 0.00 H new ATOM 0 HG2 GLN A 53 1.132 -4.096 -3.987 1.00 0.00 H new ATOM 0 HG3 GLN A 53 0.613 -4.917 -5.445 1.00 0.00 H new ATOM 0 HE21 GLN A 53 2.279 -5.888 -6.844 1.00 0.00 H new ATOM 0 HE22 GLN A 53 3.735 -6.536 -6.080 1.00 0.00 H new ATOM 825 N ARG A 54 -1.274 -2.657 -4.394 1.00 0.00 N ATOM 826 CA ARG A 54 -2.376 -3.294 -3.682 1.00 0.00 C ATOM 827 C ARG A 54 -3.709 -2.904 -4.285 1.00 0.00 C ATOM 828 O ARG A 54 -4.681 -3.641 -4.167 1.00 0.00 O ATOM 829 CB ARG A 54 -2.359 -2.923 -2.204 1.00 0.00 C ATOM 830 CG ARG A 54 -1.033 -3.195 -1.532 1.00 0.00 C ATOM 831 CD ARG A 54 -0.847 -4.677 -1.240 1.00 0.00 C ATOM 832 NE ARG A 54 0.399 -5.205 -1.799 1.00 0.00 N ATOM 833 CZ ARG A 54 0.750 -6.494 -1.746 1.00 0.00 C ATOM 834 NH1 ARG A 54 -0.072 -7.390 -1.221 1.00 0.00 N ATOM 835 NH2 ARG A 54 1.913 -6.897 -2.246 1.00 0.00 N ATOM 0 H ARG A 54 -0.829 -1.893 -3.886 1.00 0.00 H new ATOM 0 HA ARG A 54 -2.245 -4.372 -3.778 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -2.600 -1.865 -2.100 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -3.141 -3.481 -1.688 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -0.222 -2.845 -2.171 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -0.973 -2.630 -0.602 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -0.854 -4.835 -0.162 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -1.690 -5.234 -1.649 1.00 0.00 H new ATOM 0 HE ARG A 54 1.036 -4.552 -2.255 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -0.978 -7.098 -0.855 1.00 0.00 H new ATOM 0 HH12 ARG A 54 0.201 -8.372 -1.183 1.00 0.00 H new ATOM 0 HH21 ARG A 54 2.546 -6.221 -2.674 1.00 0.00 H new ATOM 0 HH22 ARG A 54 2.173 -7.882 -2.202 1.00 0.00 H new ATOM 849 N LEU A 55 -3.747 -1.745 -4.928 1.00 0.00 N ATOM 850 CA LEU A 55 -4.964 -1.262 -5.563 1.00 0.00 C ATOM 851 C LEU A 55 -5.478 -2.281 -6.578 1.00 0.00 C ATOM 852 O LEU A 55 -6.675 -2.555 -6.654 1.00 0.00 O ATOM 853 CB LEU A 55 -4.709 0.085 -6.249 1.00 0.00 C ATOM 854 CG LEU A 55 -5.324 1.310 -5.560 1.00 0.00 C ATOM 855 CD1 LEU A 55 -6.414 0.903 -4.584 1.00 0.00 C ATOM 856 CD2 LEU A 55 -4.251 2.116 -4.845 1.00 0.00 C ATOM 0 H LEU A 55 -2.946 -1.121 -5.023 1.00 0.00 H new ATOM 0 HA LEU A 55 -5.723 -1.125 -4.793 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -3.632 0.236 -6.324 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -5.095 0.032 -7.267 1.00 0.00 H new ATOM 0 HG LEU A 55 -5.776 1.933 -6.331 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -6.830 1.793 -4.112 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.202 0.374 -5.119 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -5.993 0.250 -3.820 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -4.706 2.981 -4.362 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -3.769 1.493 -4.092 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.508 2.453 -5.567 1.00 0.00 H new ATOM 868 N ALA A 56 -4.559 -2.859 -7.341 1.00 0.00 N ATOM 869 CA ALA A 56 -4.917 -3.877 -8.315 1.00 0.00 C ATOM 870 C ALA A 56 -5.252 -5.196 -7.625 1.00 0.00 C ATOM 871 O ALA A 56 -6.237 -5.852 -7.961 1.00 0.00 O ATOM 872 CB ALA A 56 -3.789 -4.071 -9.314 1.00 0.00 C ATOM 0 H ALA A 56 -3.564 -2.640 -7.303 1.00 0.00 H new ATOM 0 HA ALA A 56 -5.804 -3.540 -8.851 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -4.071 -4.836 -10.037 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.598 -3.132 -9.834 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -2.887 -4.384 -8.788 1.00 0.00 H new ATOM 878 N GLU A 57 -4.436 -5.563 -6.643 1.00 0.00 N ATOM 879 CA GLU A 57 -4.605 -6.825 -5.928 1.00 0.00 C ATOM 880 C GLU A 57 -5.925 -6.854 -5.162 1.00 0.00 C ATOM 881 O GLU A 57 -6.574 -7.900 -5.061 1.00 0.00 O ATOM 882 CB GLU A 57 -3.437 -7.046 -4.969 1.00 0.00 C ATOM 883 CG GLU A 57 -2.636 -8.301 -5.274 1.00 0.00 C ATOM 884 CD GLU A 57 -1.960 -8.249 -6.630 1.00 0.00 C ATOM 885 OE1 GLU A 57 -2.644 -8.458 -7.652 1.00 0.00 O ATOM 886 OE2 GLU A 57 -0.736 -8.013 -6.677 1.00 0.00 O ATOM 0 H GLU A 57 -3.647 -5.002 -6.322 1.00 0.00 H new ATOM 0 HA GLU A 57 -4.623 -7.630 -6.663 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -2.774 -6.182 -5.010 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -3.819 -7.106 -3.950 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -1.880 -8.441 -4.501 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -3.297 -9.167 -5.235 1.00 0.00 H new ATOM 893 N TRP A 58 -6.313 -5.707 -4.623 1.00 0.00 N ATOM 894 CA TRP A 58 -7.575 -5.574 -3.913 1.00 0.00 C ATOM 895 C TRP A 58 -8.736 -5.890 -4.852 1.00 0.00 C ATOM 896 O TRP A 58 -9.619 -6.678 -4.516 1.00 0.00 O ATOM 897 CB TRP A 58 -7.707 -4.155 -3.334 1.00 0.00 C ATOM 898 CG TRP A 58 -9.125 -3.688 -3.178 1.00 0.00 C ATOM 899 CD1 TRP A 58 -10.084 -4.240 -2.381 1.00 0.00 C ATOM 900 CD2 TRP A 58 -9.744 -2.578 -3.837 1.00 0.00 C ATOM 901 NE1 TRP A 58 -11.263 -3.552 -2.516 1.00 0.00 N ATOM 902 CE2 TRP A 58 -11.081 -2.524 -3.400 1.00 0.00 C ATOM 903 CE3 TRP A 58 -9.297 -1.623 -4.758 1.00 0.00 C ATOM 904 CZ2 TRP A 58 -11.974 -1.558 -3.852 1.00 0.00 C ATOM 905 CZ3 TRP A 58 -10.186 -0.663 -5.204 1.00 0.00 C ATOM 906 CH2 TRP A 58 -11.511 -0.636 -4.752 1.00 0.00 C ATOM 0 H TRP A 58 -5.765 -4.848 -4.665 1.00 0.00 H new ATOM 0 HA TRP A 58 -7.599 -6.284 -3.086 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -7.216 -4.124 -2.361 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -7.175 -3.458 -3.982 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -9.937 -5.095 -1.737 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -12.135 -3.772 -2.035 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -8.277 -1.636 -5.113 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -12.997 -1.536 -3.505 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -9.853 0.080 -5.914 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -12.181 0.127 -5.120 1.00 0.00 H new ATOM 917 N ARG A 59 -8.708 -5.294 -6.038 1.00 0.00 N ATOM 918 CA ARG A 59 -9.769 -5.483 -7.021 1.00 0.00 C ATOM 919 C ARG A 59 -9.865 -6.946 -7.448 1.00 0.00 C ATOM 920 O ARG A 59 -10.952 -7.447 -7.735 1.00 0.00 O ATOM 921 CB ARG A 59 -9.530 -4.588 -8.239 1.00 0.00 C ATOM 922 CG ARG A 59 -9.681 -3.105 -7.938 1.00 0.00 C ATOM 923 CD ARG A 59 -10.245 -2.343 -9.125 1.00 0.00 C ATOM 924 NE ARG A 59 -9.221 -2.069 -10.134 1.00 0.00 N ATOM 925 CZ ARG A 59 -8.617 -0.894 -10.288 1.00 0.00 C ATOM 926 NH1 ARG A 59 -8.930 0.135 -9.511 1.00 0.00 N ATOM 927 NH2 ARG A 59 -7.696 -0.758 -11.231 1.00 0.00 N ATOM 0 H ARG A 59 -7.959 -4.673 -6.344 1.00 0.00 H new ATOM 0 HA ARG A 59 -10.715 -5.202 -6.558 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -8.527 -4.773 -8.625 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -10.231 -4.864 -9.027 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -10.337 -2.974 -7.077 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -8.711 -2.689 -7.666 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -11.053 -2.919 -9.575 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -10.677 -1.403 -8.781 1.00 0.00 H new ATOM 0 HE ARG A 59 -8.953 -2.829 -10.760 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -9.640 0.030 -8.787 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -8.460 1.031 -9.638 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -7.457 -1.549 -11.829 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -7.226 0.138 -11.359 1.00 0.00 H new ATOM 941 N ARG A 60 -8.723 -7.624 -7.480 1.00 0.00 N ATOM 942 CA ARG A 60 -8.680 -9.043 -7.817 1.00 0.00 C ATOM 943 C ARG A 60 -9.309 -9.877 -6.708 1.00 0.00 C ATOM 944 O ARG A 60 -10.223 -10.669 -6.944 1.00 0.00 O ATOM 945 CB ARG A 60 -7.232 -9.500 -8.025 1.00 0.00 C ATOM 946 CG ARG A 60 -6.499 -8.763 -9.130 1.00 0.00 C ATOM 947 CD ARG A 60 -5.116 -9.356 -9.373 1.00 0.00 C ATOM 948 NE ARG A 60 -5.134 -10.818 -9.379 1.00 0.00 N ATOM 949 CZ ARG A 60 -4.403 -11.580 -8.564 1.00 0.00 C ATOM 950 NH1 ARG A 60 -3.536 -11.021 -7.726 1.00 0.00 N ATOM 951 NH2 ARG A 60 -4.518 -12.901 -8.609 1.00 0.00 N ATOM 0 H ARG A 60 -7.812 -7.213 -7.276 1.00 0.00 H new ATOM 0 HA ARG A 60 -9.243 -9.185 -8.739 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -6.684 -9.370 -7.092 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -7.228 -10.566 -8.251 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -7.083 -8.809 -10.049 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -6.403 -7.710 -8.866 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -4.731 -8.995 -10.327 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -4.432 -9.006 -8.600 1.00 0.00 H new ATOM 0 HE ARG A 60 -5.745 -11.285 -10.049 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -3.428 -10.007 -7.705 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -2.978 -11.606 -7.104 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -5.166 -13.334 -9.267 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -3.959 -13.483 -7.986 1.00 0.00 H new ATOM 965 N SER A 61 -8.818 -9.673 -5.496 1.00 0.00 N ATOM 966 CA SER A 61 -9.218 -10.484 -4.352 1.00 0.00 C ATOM 967 C SER A 61 -10.679 -10.261 -3.963 1.00 0.00 C ATOM 968 O SER A 61 -11.372 -11.205 -3.593 1.00 0.00 O ATOM 969 CB SER A 61 -8.306 -10.191 -3.159 1.00 0.00 C ATOM 970 OG SER A 61 -6.943 -10.161 -3.559 1.00 0.00 O ATOM 0 H SER A 61 -8.136 -8.947 -5.276 1.00 0.00 H new ATOM 0 HA SER A 61 -9.118 -11.529 -4.644 1.00 0.00 H new ATOM 0 HB2 SER A 61 -8.580 -9.235 -2.713 1.00 0.00 H new ATOM 0 HB3 SER A 61 -8.448 -10.952 -2.392 1.00 0.00 H new ATOM 0 HG SER A 61 -6.752 -9.310 -4.005 1.00 0.00 H new ATOM 976 N GLU A 62 -11.144 -9.019 -4.048 1.00 0.00 N ATOM 977 CA GLU A 62 -12.504 -8.692 -3.634 1.00 0.00 C ATOM 978 C GLU A 62 -13.525 -9.121 -4.682 1.00 0.00 C ATOM 979 O GLU A 62 -14.642 -9.509 -4.338 1.00 0.00 O ATOM 980 CB GLU A 62 -12.631 -7.197 -3.351 1.00 0.00 C ATOM 981 CG GLU A 62 -12.185 -6.816 -1.949 1.00 0.00 C ATOM 982 CD GLU A 62 -13.253 -6.072 -1.176 1.00 0.00 C ATOM 983 OE1 GLU A 62 -13.324 -4.831 -1.294 1.00 0.00 O ATOM 984 OE2 GLU A 62 -14.025 -6.722 -0.438 1.00 0.00 O ATOM 0 H GLU A 62 -10.604 -8.227 -4.397 1.00 0.00 H new ATOM 0 HA GLU A 62 -12.713 -9.244 -2.718 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -12.036 -6.644 -4.078 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -13.669 -6.894 -3.491 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -11.909 -7.718 -1.403 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -11.291 -6.196 -2.013 1.00 0.00 H new ATOM 991 N GLY A 63 -13.141 -9.055 -5.952 1.00 0.00 N ATOM 992 CA GLY A 63 -14.035 -9.468 -7.022 1.00 0.00 C ATOM 993 C GLY A 63 -15.294 -8.625 -7.096 1.00 0.00 C ATOM 994 O GLY A 63 -16.401 -9.125 -6.892 1.00 0.00 O ATOM 0 H GLY A 63 -12.227 -8.723 -6.261 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -13.507 -9.408 -7.974 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -14.311 -10.512 -6.876 1.00 0.00 H new ATOM 998 N LEU A 64 -15.124 -7.346 -7.399 1.00 0.00 N ATOM 999 CA LEU A 64 -16.243 -6.417 -7.468 1.00 0.00 C ATOM 1000 C LEU A 64 -17.035 -6.634 -8.756 1.00 0.00 C ATOM 1001 O LEU A 64 -16.490 -6.501 -9.850 1.00 0.00 O ATOM 1002 CB LEU A 64 -15.737 -4.974 -7.396 1.00 0.00 C ATOM 1003 CG LEU A 64 -14.893 -4.643 -6.164 1.00 0.00 C ATOM 1004 CD1 LEU A 64 -13.495 -4.212 -6.577 1.00 0.00 C ATOM 1005 CD2 LEU A 64 -15.566 -3.561 -5.337 1.00 0.00 C ATOM 0 H LEU A 64 -14.217 -6.926 -7.602 1.00 0.00 H new ATOM 0 HA LEU A 64 -16.901 -6.601 -6.619 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -15.146 -4.768 -8.288 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -16.595 -4.303 -7.420 1.00 0.00 H new ATOM 0 HG LEU A 64 -14.807 -5.540 -5.551 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -12.908 -3.980 -5.688 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -13.014 -5.019 -7.129 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -13.559 -3.327 -7.210 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -14.953 -3.336 -4.464 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -15.681 -2.661 -5.941 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -16.547 -3.908 -5.012 1.00 0.00 H new ATOM 1017 N PRO A 65 -18.329 -6.984 -8.640 1.00 0.00 N ATOM 1018 CA PRO A 65 -19.184 -7.268 -9.799 1.00 0.00 C ATOM 1019 C PRO A 65 -19.364 -6.045 -10.690 1.00 0.00 C ATOM 1020 O PRO A 65 -18.927 -6.028 -11.839 1.00 0.00 O ATOM 1021 CB PRO A 65 -20.529 -7.675 -9.181 1.00 0.00 C ATOM 1022 CG PRO A 65 -20.234 -7.982 -7.753 1.00 0.00 C ATOM 1023 CD PRO A 65 -19.056 -7.129 -7.373 1.00 0.00 C ATOM 0 HA PRO A 65 -18.751 -8.037 -10.438 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -21.260 -6.871 -9.267 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -20.949 -8.543 -9.690 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -21.094 -7.760 -7.122 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -20.007 -9.040 -7.622 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -19.369 -6.164 -6.975 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -18.443 -7.606 -6.608 1.00 0.00 H new ATOM 1031 N SER A 66 -20.002 -5.024 -10.147 1.00 0.00 N ATOM 1032 CA SER A 66 -20.249 -3.794 -10.877 1.00 0.00 C ATOM 1033 C SER A 66 -19.830 -2.603 -10.028 1.00 0.00 C ATOM 1034 O SER A 66 -18.836 -1.933 -10.312 1.00 0.00 O ATOM 1035 CB SER A 66 -21.735 -3.698 -11.230 1.00 0.00 C ATOM 1036 OG SER A 66 -22.527 -4.296 -10.214 1.00 0.00 O ATOM 0 H SER A 66 -20.362 -5.024 -9.193 1.00 0.00 H new ATOM 0 HA SER A 66 -19.666 -3.792 -11.798 1.00 0.00 H new ATOM 0 HB2 SER A 66 -22.019 -2.653 -11.353 1.00 0.00 H new ATOM 0 HB3 SER A 66 -21.921 -4.193 -12.183 1.00 0.00 H new ATOM 0 HG SER A 66 -23.446 -3.960 -10.275 1.00 0.00 H new ATOM 1042 N GLU A 67 -20.600 -2.359 -8.980 1.00 0.00 N ATOM 1043 CA GLU A 67 -20.287 -1.322 -8.013 1.00 0.00 C ATOM 1044 C GLU A 67 -20.551 -1.857 -6.608 1.00 0.00 C ATOM 1045 O GLU A 67 -20.007 -2.893 -6.225 1.00 0.00 O ATOM 1046 CB GLU A 67 -21.113 -0.059 -8.292 1.00 0.00 C ATOM 1047 CG GLU A 67 -22.544 -0.339 -8.738 1.00 0.00 C ATOM 1048 CD GLU A 67 -23.566 0.389 -7.890 1.00 0.00 C ATOM 1049 OE1 GLU A 67 -23.269 0.673 -6.711 1.00 0.00 O ATOM 1050 OE2 GLU A 67 -24.666 0.686 -8.401 1.00 0.00 O ATOM 0 H GLU A 67 -21.457 -2.873 -8.777 1.00 0.00 H new ATOM 0 HA GLU A 67 -19.235 -1.048 -8.096 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -21.138 0.553 -7.390 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -20.612 0.528 -9.062 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -22.662 -0.041 -9.780 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -22.733 -1.411 -8.690 1.00 0.00 H new ATOM 1057 N CYS A 68 -21.417 -1.192 -5.858 1.00 0.00 N ATOM 1058 CA CYS A 68 -21.774 -1.645 -4.522 1.00 0.00 C ATOM 1059 C CYS A 68 -22.958 -2.606 -4.596 1.00 0.00 C ATOM 1060 O CYS A 68 -23.979 -2.424 -3.927 1.00 0.00 O ATOM 1061 CB CYS A 68 -22.107 -0.451 -3.626 1.00 0.00 C ATOM 1062 SG CYS A 68 -21.616 1.144 -4.321 1.00 0.00 S ATOM 0 H CYS A 68 -21.886 -0.335 -6.152 1.00 0.00 H new ATOM 0 HA CYS A 68 -20.923 -2.171 -4.089 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -23.180 -0.439 -3.437 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -21.615 -0.584 -2.662 1.00 0.00 H new ATOM 0 HG CYS A 68 -22.271 1.357 -5.423 1.00 0.00 H new ATOM 1068 N ARG A 69 -22.811 -3.624 -5.429 1.00 0.00 N ATOM 1069 CA ARG A 69 -23.849 -4.619 -5.630 1.00 0.00 C ATOM 1070 C ARG A 69 -23.477 -5.903 -4.903 1.00 0.00 C ATOM 1071 O ARG A 69 -22.300 -6.131 -4.614 1.00 0.00 O ATOM 1072 CB ARG A 69 -24.031 -4.897 -7.127 1.00 0.00 C ATOM 1073 CG ARG A 69 -25.482 -5.059 -7.551 1.00 0.00 C ATOM 1074 CD ARG A 69 -25.890 -3.999 -8.561 1.00 0.00 C ATOM 1075 NE ARG A 69 -26.044 -4.555 -9.908 1.00 0.00 N ATOM 1076 CZ ARG A 69 -27.208 -4.633 -10.556 1.00 0.00 C ATOM 1077 NH1 ARG A 69 -28.332 -4.235 -9.974 1.00 0.00 N ATOM 1078 NH2 ARG A 69 -27.255 -5.112 -11.792 1.00 0.00 N ATOM 0 H ARG A 69 -21.970 -3.783 -5.983 1.00 0.00 H new ATOM 0 HA ARG A 69 -24.788 -4.239 -5.228 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -23.586 -4.080 -7.695 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -23.483 -5.803 -7.388 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -25.627 -6.049 -7.983 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -26.127 -4.995 -6.675 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -26.829 -3.542 -8.248 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -25.141 -3.208 -8.579 1.00 0.00 H new ATOM 0 HE ARG A 69 -25.210 -4.904 -10.380 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -28.311 -3.866 -9.023 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -29.217 -4.298 -10.477 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -26.399 -5.423 -12.251 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -28.147 -5.170 -12.283 1.00 0.00 H new ATOM 1092 N SER A 70 -24.472 -6.722 -4.593 1.00 0.00 N ATOM 1093 CA SER A 70 -24.230 -8.015 -3.969 1.00 0.00 C ATOM 1094 C SER A 70 -23.306 -8.864 -4.838 1.00 0.00 C ATOM 1095 O SER A 70 -23.421 -8.852 -6.067 1.00 0.00 O ATOM 1096 CB SER A 70 -25.559 -8.735 -3.737 1.00 0.00 C ATOM 1097 OG SER A 70 -26.532 -7.825 -3.250 1.00 0.00 O ATOM 0 H SER A 70 -25.456 -6.514 -4.764 1.00 0.00 H new ATOM 0 HA SER A 70 -23.741 -7.857 -3.007 1.00 0.00 H new ATOM 0 HB2 SER A 70 -25.905 -9.184 -4.668 1.00 0.00 H new ATOM 0 HB3 SER A 70 -25.421 -9.547 -3.023 1.00 0.00 H new ATOM 0 HG SER A 70 -27.379 -8.297 -3.107 1.00 0.00 H new ATOM 1103 N VAL A 71 -22.384 -9.577 -4.199 1.00 0.00 N ATOM 1104 CA VAL A 71 -21.417 -10.402 -4.911 1.00 0.00 C ATOM 1105 C VAL A 71 -22.128 -11.402 -5.822 1.00 0.00 C ATOM 1106 O VAL A 71 -23.178 -11.952 -5.466 1.00 0.00 O ATOM 1107 CB VAL A 71 -20.460 -11.131 -3.930 1.00 0.00 C ATOM 1108 CG1 VAL A 71 -20.938 -12.540 -3.597 1.00 0.00 C ATOM 1109 CG2 VAL A 71 -19.048 -11.163 -4.492 1.00 0.00 C ATOM 0 H VAL A 71 -22.287 -9.599 -3.184 1.00 0.00 H new ATOM 0 HA VAL A 71 -20.811 -9.742 -5.532 1.00 0.00 H new ATOM 0 HB VAL A 71 -20.459 -10.565 -2.998 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -20.236 -13.009 -2.908 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -21.923 -12.490 -3.133 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -20.997 -13.130 -4.512 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -18.389 -11.677 -3.792 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -19.048 -11.691 -5.446 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -18.693 -10.143 -4.642 1.00 0.00 H new ATOM 1119 N THR A 72 -21.577 -11.609 -7.007 1.00 0.00 N ATOM 1120 CA THR A 72 -22.200 -12.481 -7.986 1.00 0.00 C ATOM 1121 C THR A 72 -21.326 -13.700 -8.265 1.00 0.00 C ATOM 1122 O THR A 72 -20.140 -13.580 -8.581 1.00 0.00 O ATOM 1123 CB THR A 72 -22.517 -11.722 -9.302 1.00 0.00 C ATOM 1124 OG1 THR A 72 -23.205 -12.574 -10.229 1.00 0.00 O ATOM 1125 CG2 THR A 72 -21.257 -11.174 -9.959 1.00 0.00 C ATOM 0 H THR A 72 -20.701 -11.185 -7.313 1.00 0.00 H new ATOM 0 HA THR A 72 -23.144 -12.825 -7.564 1.00 0.00 H new ATOM 0 HB THR A 72 -23.158 -10.882 -9.035 1.00 0.00 H new ATOM 0 HG1 THR A 72 -23.397 -12.076 -11.051 1.00 0.00 H new ATOM 0 HG21 THR A 72 -21.524 -10.650 -10.877 1.00 0.00 H new ATOM 0 HG22 THR A 72 -20.762 -10.482 -9.277 1.00 0.00 H new ATOM 0 HG23 THR A 72 -20.582 -11.997 -10.194 1.00 0.00 H new ATOM 1133 N ASP A 73 -21.911 -14.875 -8.098 1.00 0.00 N ATOM 1134 CA ASP A 73 -21.236 -16.124 -8.404 1.00 0.00 C ATOM 1135 C ASP A 73 -22.053 -16.896 -9.421 1.00 0.00 C ATOM 1136 O ASP A 73 -23.273 -17.046 -9.199 1.00 0.00 O ATOM 1137 CB ASP A 73 -21.053 -16.967 -7.141 1.00 0.00 C ATOM 1138 CG ASP A 73 -20.113 -18.137 -7.355 1.00 0.00 C ATOM 1139 OD1 ASP A 73 -18.888 -17.955 -7.194 1.00 0.00 O ATOM 1140 OD2 ASP A 73 -20.591 -19.248 -7.670 1.00 0.00 O ATOM 1141 OXT ASP A 73 -21.490 -17.315 -10.451 1.00 0.00 O ATOM 0 H ASP A 73 -22.862 -14.989 -7.748 1.00 0.00 H new ATOM 0 HA ASP A 73 -20.250 -15.900 -8.812 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -20.667 -16.337 -6.340 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -22.023 -17.340 -6.813 1.00 0.00 H new TER 1146 ASP A 73