USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=19 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 Single : A 2 SER OG : rot 180:sc= -1.48 USER MOD Single : A 4 LYS NZ :NH3+ 157:sc= -0.02 (180deg=-0.214) USER MOD Single : A 5 GLN : amide:sc= -0.385 X(o=-0.38,f=-0.056) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A -1 SER OG : rot 180:sc= 0 USER MOD Single : A -2 ILE N :NH3+ -145:sc= -0.115 (180deg=-0.768) USER MOD Single : A 17 LYS NZ :NH3+ -137:sc= -8.7! (180deg=-13.4!) USER MOD Single : A 21 ASN : amide:sc= 0.399 X(o=0.4,f=-0.06) USER MOD Single : A 25 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.00879) USER MOD Single : A 27 TYR OH : rot 180:sc= -0.4 USER MOD Single : A 33 ASN : amide:sc= -0.0646 X(o=-0.065,f=-0.28) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot -41:sc= 0.188 USER MOD Single : A 36 SER OG : rot 57:sc= 0.0252 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.682 USER MOD Single : A 46 ASN : amide:sc= -2.82! C(o=-2.8!,f=-2.4!) USER MOD Single : A 48 SER OG : rot -90:sc= 0.482 USER MOD Single : A 50 CYS SG : rot 180:sc= -1.72 USER MOD Single : A 51 SER OG : rot -82:sc= 0.377! USER MOD Single : A 58 LYS NZ :NH3+ -114:sc= -1.04 (180deg=-2.57!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= -0.451 (180deg=-0.451) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 28:sc= 1.08 USER MOD Single : A 68 ASN : amide:sc= -0.24 X(o=-0.24,f=-0.037) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A -2 -19.468 -11.154 -12.178 1.00 0.00 N ATOM 2 CA ILE A -2 -20.555 -11.311 -11.175 1.00 0.00 C ATOM 3 C ILE A -2 -20.020 -11.176 -9.752 1.00 0.00 C ATOM 4 O ILE A -2 -19.889 -12.165 -9.030 1.00 0.00 O ATOM 5 CB ILE A -2 -21.257 -12.677 -11.324 1.00 0.00 C ATOM 6 CG1 ILE A -2 -21.722 -12.883 -12.769 1.00 0.00 C ATOM 7 CG2 ILE A -2 -22.431 -12.780 -10.361 1.00 0.00 C ATOM 8 CD1 ILE A -2 -21.058 -14.057 -13.457 1.00 0.00 C ATOM 0 H1 ILE A -2 -19.841 -10.673 -13.021 1.00 0.00 H new ATOM 0 H2 ILE A -2 -18.697 -10.588 -11.769 1.00 0.00 H new ATOM 0 H3 ILE A -2 -19.105 -12.091 -12.446 1.00 0.00 H new ATOM 0 HA ILE A -2 -21.276 -10.515 -11.361 1.00 0.00 H new ATOM 0 HB ILE A -2 -20.543 -13.463 -11.078 1.00 0.00 H new ATOM 0 HG12 ILE A -2 -22.802 -13.031 -12.777 1.00 0.00 H new ATOM 0 HG13 ILE A -2 -21.520 -11.976 -13.340 1.00 0.00 H new ATOM 0 HG21 ILE A -2 -22.915 -13.750 -10.479 1.00 0.00 H new ATOM 0 HG22 ILE A -2 -22.072 -12.676 -9.337 1.00 0.00 H new ATOM 0 HG23 ILE A -2 -23.148 -11.988 -10.576 1.00 0.00 H new ATOM 0 HD11 ILE A -2 -21.435 -14.142 -14.476 1.00 0.00 H new ATOM 0 HD12 ILE A -2 -19.979 -13.902 -13.481 1.00 0.00 H new ATOM 0 HD13 ILE A -2 -21.281 -14.973 -12.910 1.00 0.00 H new ATOM 22 N SER A -1 -19.712 -9.941 -9.357 1.00 0.00 N ATOM 23 CA SER A -1 -19.190 -9.649 -8.019 1.00 0.00 C ATOM 24 C SER A -1 -17.704 -9.996 -7.895 1.00 0.00 C ATOM 25 O SER A -1 -16.974 -9.350 -7.141 1.00 0.00 O ATOM 26 CB SER A -1 -19.998 -10.388 -6.944 1.00 0.00 C ATOM 27 OG SER A -1 -20.662 -9.474 -6.088 1.00 0.00 O ATOM 0 H SER A -1 -19.816 -9.118 -9.950 1.00 0.00 H new ATOM 0 HA SER A -1 -19.294 -8.575 -7.864 1.00 0.00 H new ATOM 0 HB2 SER A -1 -20.729 -11.043 -7.419 1.00 0.00 H new ATOM 0 HB3 SER A -1 -19.334 -11.024 -6.358 1.00 0.00 H new ATOM 0 HG SER A -1 -21.171 -9.969 -5.413 1.00 0.00 H new ATOM 33 N SER A 2 -17.255 -11.013 -8.628 1.00 0.00 N ATOM 34 CA SER A 2 -15.856 -11.431 -8.584 1.00 0.00 C ATOM 35 C SER A 2 -15.539 -12.125 -7.262 1.00 0.00 C ATOM 36 O SER A 2 -16.197 -11.879 -6.249 1.00 0.00 O ATOM 37 CB SER A 2 -14.927 -10.230 -8.784 1.00 0.00 C ATOM 38 OG SER A 2 -13.638 -10.647 -9.201 1.00 0.00 O ATOM 0 H SER A 2 -17.839 -11.562 -9.259 1.00 0.00 H new ATOM 0 HA SER A 2 -15.691 -12.139 -9.396 1.00 0.00 H new ATOM 0 HB2 SER A 2 -15.353 -9.556 -9.527 1.00 0.00 H new ATOM 0 HB3 SER A 2 -14.848 -9.668 -7.853 1.00 0.00 H new ATOM 0 HG SER A 2 -13.064 -9.862 -9.324 1.00 0.00 H new ATOM 44 N PRO A 3 -14.523 -13.008 -7.251 1.00 0.00 N ATOM 45 CA PRO A 3 -14.124 -13.736 -6.054 1.00 0.00 C ATOM 46 C PRO A 3 -13.133 -12.955 -5.196 1.00 0.00 C ATOM 47 O PRO A 3 -12.103 -13.485 -4.777 1.00 0.00 O ATOM 48 CB PRO A 3 -13.476 -15.009 -6.608 1.00 0.00 C ATOM 49 CG PRO A 3 -13.132 -14.727 -8.041 1.00 0.00 C ATOM 50 CD PRO A 3 -13.686 -13.368 -8.401 1.00 0.00 C ATOM 0 HA PRO A 3 -14.971 -13.928 -5.395 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -12.583 -15.268 -6.039 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -14.159 -15.855 -6.533 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -12.052 -14.747 -8.184 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -13.554 -15.494 -8.691 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -12.889 -12.641 -8.557 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -14.268 -13.406 -9.322 1.00 0.00 H new ATOM 58 N LYS A 4 -13.455 -11.693 -4.930 1.00 0.00 N ATOM 59 CA LYS A 4 -12.602 -10.836 -4.115 1.00 0.00 C ATOM 60 C LYS A 4 -13.359 -10.345 -2.883 1.00 0.00 C ATOM 61 O LYS A 4 -13.253 -9.178 -2.503 1.00 0.00 O ATOM 62 CB LYS A 4 -12.110 -9.639 -4.937 1.00 0.00 C ATOM 63 CG LYS A 4 -10.620 -9.365 -4.790 1.00 0.00 C ATOM 64 CD LYS A 4 -10.041 -8.720 -6.041 1.00 0.00 C ATOM 65 CE LYS A 4 -8.956 -9.583 -6.667 1.00 0.00 C ATOM 66 NZ LYS A 4 -9.468 -10.926 -7.062 1.00 0.00 N ATOM 0 H LYS A 4 -14.304 -11.240 -5.269 1.00 0.00 H new ATOM 0 HA LYS A 4 -11.741 -11.419 -3.788 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -12.336 -9.815 -5.989 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -12.665 -8.750 -4.636 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -10.453 -8.712 -3.933 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -10.096 -10.299 -4.586 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -10.837 -8.553 -6.766 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -9.629 -7.743 -5.789 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -8.552 -9.077 -7.544 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -8.135 -9.702 -5.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -8.858 -11.325 -7.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -9.464 -11.556 -6.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -10.439 -10.835 -7.424 1.00 0.00 H new ATOM 80 N GLN A 5 -14.126 -11.240 -2.260 1.00 0.00 N ATOM 81 CA GLN A 5 -14.901 -10.893 -1.083 1.00 0.00 C ATOM 82 C GLN A 5 -14.048 -10.192 -0.039 1.00 0.00 C ATOM 83 O GLN A 5 -13.050 -10.737 0.435 1.00 0.00 O ATOM 84 CB GLN A 5 -15.543 -12.131 -0.478 1.00 0.00 C ATOM 85 CG GLN A 5 -14.709 -13.390 -0.613 1.00 0.00 C ATOM 86 CD GLN A 5 -14.718 -14.241 0.646 1.00 0.00 C ATOM 87 OE1 GLN A 5 -13.715 -14.865 0.992 1.00 0.00 O ATOM 88 NE2 GLN A 5 -15.852 -14.270 1.338 1.00 0.00 N ATOM 0 H GLN A 5 -14.223 -12.211 -2.557 1.00 0.00 H new ATOM 0 HA GLN A 5 -15.684 -10.204 -1.402 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -15.736 -11.947 0.579 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -16.509 -12.296 -0.954 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -15.085 -13.981 -1.448 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -13.682 -13.116 -0.853 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -16.660 -13.738 1.015 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -15.914 -14.825 2.192 1.00 0.00 H new ATOM 97 N GLU A 6 -14.463 -8.979 0.309 1.00 0.00 N ATOM 98 CA GLU A 6 -13.767 -8.151 1.297 1.00 0.00 C ATOM 99 C GLU A 6 -12.261 -8.404 1.301 1.00 0.00 C ATOM 100 O GLU A 6 -11.629 -8.402 2.358 1.00 0.00 O ATOM 101 CB GLU A 6 -14.327 -8.389 2.699 1.00 0.00 C ATOM 102 CG GLU A 6 -14.055 -9.788 3.233 1.00 0.00 C ATOM 103 CD GLU A 6 -14.506 -9.965 4.670 1.00 0.00 C ATOM 104 OE1 GLU A 6 -15.402 -9.214 5.110 1.00 0.00 O ATOM 105 OE2 GLU A 6 -13.963 -10.856 5.357 1.00 0.00 O ATOM 0 H GLU A 6 -15.294 -8.538 -0.085 1.00 0.00 H new ATOM 0 HA GLU A 6 -13.936 -7.113 1.010 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -13.896 -7.658 3.383 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -15.403 -8.217 2.686 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -14.565 -10.518 2.604 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -12.988 -9.998 3.163 1.00 0.00 H new ATOM 112 N GLU A 7 -11.689 -8.624 0.121 1.00 0.00 N ATOM 113 CA GLU A 7 -10.263 -8.868 0.009 1.00 0.00 C ATOM 114 C GLU A 7 -9.484 -7.712 0.612 1.00 0.00 C ATOM 115 O GLU A 7 -10.056 -6.860 1.286 1.00 0.00 O ATOM 116 CB GLU A 7 -9.866 -9.070 -1.455 1.00 0.00 C ATOM 117 CG GLU A 7 -9.052 -10.330 -1.691 1.00 0.00 C ATOM 118 CD GLU A 7 -7.878 -10.102 -2.623 1.00 0.00 C ATOM 119 OE1 GLU A 7 -7.978 -9.217 -3.498 1.00 0.00 O ATOM 120 OE2 GLU A 7 -6.858 -10.808 -2.475 1.00 0.00 O ATOM 0 H GLU A 7 -12.193 -8.637 -0.766 1.00 0.00 H new ATOM 0 HA GLU A 7 -10.023 -9.778 0.559 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -10.768 -9.109 -2.066 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -9.291 -8.207 -1.790 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -8.685 -10.705 -0.736 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -9.698 -11.102 -2.109 1.00 0.00 H new ATOM 127 N TYR A 8 -8.181 -7.681 0.362 1.00 0.00 N ATOM 128 CA TYR A 8 -7.323 -6.628 0.882 1.00 0.00 C ATOM 129 C TYR A 8 -7.986 -5.256 0.760 1.00 0.00 C ATOM 130 O TYR A 8 -7.782 -4.545 -0.224 1.00 0.00 O ATOM 131 CB TYR A 8 -5.994 -6.625 0.128 1.00 0.00 C ATOM 132 CG TYR A 8 -5.273 -7.958 0.123 1.00 0.00 C ATOM 133 CD1 TYR A 8 -5.542 -8.929 1.082 1.00 0.00 C ATOM 134 CD2 TYR A 8 -4.311 -8.239 -0.839 1.00 0.00 C ATOM 135 CE1 TYR A 8 -4.877 -10.140 1.078 1.00 0.00 C ATOM 136 CE2 TYR A 8 -3.642 -9.447 -0.848 1.00 0.00 C ATOM 137 CZ TYR A 8 -3.928 -10.392 0.111 1.00 0.00 C ATOM 138 OH TYR A 8 -3.264 -11.597 0.104 1.00 0.00 O ATOM 0 H TYR A 8 -7.695 -8.378 -0.201 1.00 0.00 H new ATOM 0 HA TYR A 8 -7.148 -6.827 1.939 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -6.176 -6.320 -0.903 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -5.340 -5.874 0.572 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -6.283 -8.733 1.843 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -4.082 -7.500 -1.593 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -5.099 -10.885 1.828 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -2.898 -9.649 -1.604 1.00 0.00 H new ATOM 0 HH TYR A 8 -2.629 -11.616 -0.642 1.00 0.00 H new ATOM 148 N GLU A 9 -8.761 -4.878 1.773 1.00 0.00 N ATOM 149 CA GLU A 9 -9.424 -3.580 1.769 1.00 0.00 C ATOM 150 C GLU A 9 -8.401 -2.503 2.114 1.00 0.00 C ATOM 151 O GLU A 9 -8.471 -1.882 3.174 1.00 0.00 O ATOM 152 CB GLU A 9 -10.606 -3.530 2.758 1.00 0.00 C ATOM 153 CG GLU A 9 -11.185 -4.886 3.165 1.00 0.00 C ATOM 154 CD GLU A 9 -11.661 -4.889 4.602 1.00 0.00 C ATOM 155 OE1 GLU A 9 -10.999 -4.243 5.438 1.00 0.00 O ATOM 156 OE2 GLU A 9 -12.683 -5.546 4.891 1.00 0.00 O ATOM 0 H GLU A 9 -8.944 -5.447 2.600 1.00 0.00 H new ATOM 0 HA GLU A 9 -9.835 -3.406 0.774 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -10.281 -3.009 3.658 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -11.403 -2.933 2.314 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -12.017 -5.138 2.507 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -10.428 -5.659 3.032 1.00 0.00 H new ATOM 163 N VAL A 10 -7.430 -2.321 1.223 1.00 0.00 N ATOM 164 CA VAL A 10 -6.360 -1.345 1.425 1.00 0.00 C ATOM 165 C VAL A 10 -5.915 -0.740 0.080 1.00 0.00 C ATOM 166 O VAL A 10 -6.725 -0.132 -0.619 1.00 0.00 O ATOM 167 CB VAL A 10 -5.166 -2.008 2.143 1.00 0.00 C ATOM 168 CG1 VAL A 10 -5.513 -2.300 3.593 1.00 0.00 C ATOM 169 CG2 VAL A 10 -4.756 -3.283 1.422 1.00 0.00 C ATOM 0 H VAL A 10 -7.361 -2.840 0.348 1.00 0.00 H new ATOM 0 HA VAL A 10 -6.739 -0.537 2.051 1.00 0.00 H new ATOM 0 HB VAL A 10 -4.323 -1.317 2.126 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -4.660 -2.767 4.084 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -5.760 -1.369 4.103 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -6.369 -2.974 3.634 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -3.913 -3.739 1.940 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -5.594 -3.980 1.410 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -4.467 -3.045 0.398 1.00 0.00 H new ATOM 179 N GLU A 11 -4.633 -0.892 -0.281 1.00 0.00 N ATOM 180 CA GLU A 11 -4.117 -0.350 -1.537 1.00 0.00 C ATOM 181 C GLU A 11 -2.621 -0.639 -1.674 1.00 0.00 C ATOM 182 O GLU A 11 -1.790 0.169 -1.262 1.00 0.00 O ATOM 183 CB GLU A 11 -4.370 1.158 -1.608 1.00 0.00 C ATOM 184 CG GLU A 11 -3.994 1.898 -0.334 1.00 0.00 C ATOM 185 CD GLU A 11 -3.541 3.320 -0.597 1.00 0.00 C ATOM 186 OE1 GLU A 11 -2.529 3.498 -1.306 1.00 0.00 O ATOM 187 OE2 GLU A 11 -4.198 4.257 -0.095 1.00 0.00 O ATOM 0 H GLU A 11 -3.939 -1.385 0.281 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.641 -0.835 -2.361 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -3.803 1.574 -2.441 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -5.425 1.332 -1.821 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -4.851 1.912 0.339 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -3.198 1.355 0.175 1.00 0.00 H new ATOM 194 N ARG A 12 -2.299 -1.807 -2.251 1.00 0.00 N ATOM 195 CA ARG A 12 -0.908 -2.256 -2.457 1.00 0.00 C ATOM 196 C ARG A 12 0.111 -1.155 -2.143 1.00 0.00 C ATOM 197 O ARG A 12 0.396 -0.293 -2.974 1.00 0.00 O ATOM 198 CB ARG A 12 -0.713 -2.771 -3.895 1.00 0.00 C ATOM 199 CG ARG A 12 -1.973 -3.363 -4.522 1.00 0.00 C ATOM 200 CD ARG A 12 -2.451 -4.612 -3.795 1.00 0.00 C ATOM 201 NE ARG A 12 -3.684 -5.139 -4.377 1.00 0.00 N ATOM 202 CZ ARG A 12 -4.904 -4.892 -3.900 1.00 0.00 C ATOM 203 NH1 ARG A 12 -5.071 -4.133 -2.824 1.00 0.00 N ATOM 204 NH2 ARG A 12 -5.964 -5.409 -4.506 1.00 0.00 N ATOM 0 H ARG A 12 -2.996 -2.470 -2.590 1.00 0.00 H new ATOM 0 HA ARG A 12 -0.729 -3.073 -1.757 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -0.361 -1.949 -4.519 1.00 0.00 H new ATOM 0 HB3 ARG A 12 0.070 -3.529 -3.895 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -2.766 -2.615 -4.513 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -1.776 -3.607 -5.566 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -1.674 -5.376 -3.835 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -2.616 -4.380 -2.743 1.00 0.00 H new ATOM 0 HE ARG A 12 -3.606 -5.734 -5.202 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -4.261 -3.731 -2.352 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -6.010 -3.951 -2.469 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -5.844 -5.993 -5.334 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -6.899 -5.223 -4.145 1.00 0.00 H new ATOM 218 N ILE A 13 0.634 -1.192 -0.917 1.00 0.00 N ATOM 219 CA ILE A 13 1.603 -0.207 -0.439 1.00 0.00 C ATOM 220 C ILE A 13 1.032 1.212 -0.469 1.00 0.00 C ATOM 221 O ILE A 13 0.701 1.738 -1.532 1.00 0.00 O ATOM 222 CB ILE A 13 2.917 -0.213 -1.245 1.00 0.00 C ATOM 223 CG1 ILE A 13 3.397 -1.627 -1.556 1.00 0.00 C ATOM 224 CG2 ILE A 13 3.992 0.533 -0.469 1.00 0.00 C ATOM 225 CD1 ILE A 13 3.737 -2.439 -0.325 1.00 0.00 C ATOM 0 H ILE A 13 0.397 -1.906 -0.228 1.00 0.00 H new ATOM 0 HA ILE A 13 1.820 -0.502 0.588 1.00 0.00 H new ATOM 0 HB ILE A 13 2.723 0.283 -2.196 1.00 0.00 H new ATOM 0 HG12 ILE A 13 2.624 -2.147 -2.121 1.00 0.00 H new ATOM 0 HG13 ILE A 13 4.277 -1.570 -2.197 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.921 0.529 -1.039 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.673 1.562 -0.303 1.00 0.00 H new ATOM 0 HG23 ILE A 13 4.153 0.044 0.491 1.00 0.00 H new ATOM 0 HD11 ILE A 13 4.070 -3.432 -0.625 1.00 0.00 H new ATOM 0 HD12 ILE A 13 4.532 -1.942 0.231 1.00 0.00 H new ATOM 0 HD13 ILE A 13 2.854 -2.528 0.307 1.00 0.00 H new ATOM 237 N VAL A 14 0.914 1.821 0.709 1.00 0.00 N ATOM 238 CA VAL A 14 0.381 3.182 0.822 1.00 0.00 C ATOM 239 C VAL A 14 1.494 4.201 1.014 1.00 0.00 C ATOM 240 O VAL A 14 1.343 5.365 0.643 1.00 0.00 O ATOM 241 CB VAL A 14 -0.674 3.327 1.963 1.00 0.00 C ATOM 242 CG1 VAL A 14 -0.642 2.146 2.900 1.00 0.00 C ATOM 243 CG2 VAL A 14 -0.491 4.607 2.777 1.00 0.00 C ATOM 0 H VAL A 14 1.179 1.397 1.598 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.126 3.382 -0.122 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.641 3.372 1.462 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -1.390 2.281 3.682 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.860 1.234 2.344 1.00 0.00 H new ATOM 0 HG13 VAL A 14 0.346 2.068 3.353 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.252 4.655 3.556 1.00 0.00 H new ATOM 0 HG22 VAL A 14 0.498 4.608 3.235 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.588 5.472 2.121 1.00 0.00 H new ATOM 253 N ASP A 15 2.617 3.774 1.583 1.00 0.00 N ATOM 254 CA ASP A 15 3.734 4.694 1.796 1.00 0.00 C ATOM 255 C ASP A 15 5.021 3.906 1.994 1.00 0.00 C ATOM 256 O ASP A 15 4.973 2.688 2.087 1.00 0.00 O ATOM 257 CB ASP A 15 3.449 5.587 3.005 1.00 0.00 C ATOM 258 CG ASP A 15 4.550 6.599 3.262 1.00 0.00 C ATOM 259 OD1 ASP A 15 5.054 7.188 2.284 1.00 0.00 O ATOM 260 OD2 ASP A 15 4.904 6.804 4.442 1.00 0.00 O ATOM 0 H ASP A 15 2.779 2.818 1.900 1.00 0.00 H new ATOM 0 HA ASP A 15 3.852 5.331 0.919 1.00 0.00 H new ATOM 0 HB2 ASP A 15 2.508 6.113 2.848 1.00 0.00 H new ATOM 0 HB3 ASP A 15 3.322 4.963 3.890 1.00 0.00 H new ATOM 265 N GLU A 16 6.179 4.562 1.983 1.00 0.00 N ATOM 266 CA GLU A 16 7.432 3.828 2.119 1.00 0.00 C ATOM 267 C GLU A 16 8.562 4.702 2.661 1.00 0.00 C ATOM 268 O GLU A 16 8.630 5.902 2.391 1.00 0.00 O ATOM 269 CB GLU A 16 7.839 3.225 0.767 1.00 0.00 C ATOM 270 CG GLU A 16 7.122 3.842 -0.417 1.00 0.00 C ATOM 271 CD GLU A 16 7.254 5.352 -0.465 1.00 0.00 C ATOM 272 OE1 GLU A 16 8.376 5.856 -0.260 1.00 0.00 O ATOM 273 OE2 GLU A 16 6.232 6.028 -0.711 1.00 0.00 O ATOM 0 H GLU A 16 6.275 5.573 1.884 1.00 0.00 H new ATOM 0 HA GLU A 16 7.262 3.031 2.842 1.00 0.00 H new ATOM 0 HB2 GLU A 16 8.914 3.348 0.634 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.640 2.153 0.783 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.521 3.418 -1.338 1.00 0.00 H new ATOM 0 HG3 GLU A 16 6.066 3.576 -0.375 1.00 0.00 H new ATOM 280 N LYS A 17 9.474 4.057 3.378 1.00 0.00 N ATOM 281 CA LYS A 17 10.652 4.705 3.930 1.00 0.00 C ATOM 282 C LYS A 17 11.899 4.066 3.349 1.00 0.00 C ATOM 283 O LYS A 17 12.128 2.857 3.532 1.00 0.00 O ATOM 284 CB LYS A 17 10.737 4.548 5.441 1.00 0.00 C ATOM 285 CG LYS A 17 10.104 5.680 6.234 1.00 0.00 C ATOM 286 CD LYS A 17 8.816 5.265 6.935 1.00 0.00 C ATOM 287 CE LYS A 17 8.711 3.758 7.157 1.00 0.00 C ATOM 288 NZ LYS A 17 8.271 3.041 5.922 1.00 0.00 N ATOM 0 H LYS A 17 9.414 3.062 3.593 1.00 0.00 H new ATOM 0 HA LYS A 17 10.578 5.763 3.679 1.00 0.00 H new ATOM 0 HB2 LYS A 17 10.256 3.612 5.723 1.00 0.00 H new ATOM 0 HB3 LYS A 17 11.786 4.465 5.726 1.00 0.00 H new ATOM 0 HG2 LYS A 17 10.816 6.039 6.977 1.00 0.00 H new ATOM 0 HG3 LYS A 17 9.895 6.514 5.564 1.00 0.00 H new ATOM 0 HD2 LYS A 17 8.754 5.773 7.898 1.00 0.00 H new ATOM 0 HD3 LYS A 17 7.964 5.599 6.343 1.00 0.00 H new ATOM 0 HE2 LYS A 17 9.678 3.370 7.477 1.00 0.00 H new ATOM 0 HE3 LYS A 17 8.005 3.558 7.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 7.562 2.322 6.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 7.854 3.722 5.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 9.090 2.580 5.478 1.00 0.00 H new ATOM 302 N LEU A 18 12.710 4.874 2.687 1.00 0.00 N ATOM 303 CA LEU A 18 13.953 4.398 2.111 1.00 0.00 C ATOM 304 C LEU A 18 15.126 4.893 2.941 1.00 0.00 C ATOM 305 O LEU A 18 14.982 5.809 3.752 1.00 0.00 O ATOM 306 CB LEU A 18 14.117 4.877 0.667 1.00 0.00 C ATOM 307 CG LEU A 18 12.842 4.883 -0.178 1.00 0.00 C ATOM 308 CD1 LEU A 18 13.151 5.361 -1.590 1.00 0.00 C ATOM 309 CD2 LEU A 18 12.214 3.497 -0.210 1.00 0.00 C ATOM 0 H LEU A 18 12.527 5.866 2.536 1.00 0.00 H new ATOM 0 HA LEU A 18 13.928 3.308 2.111 1.00 0.00 H new ATOM 0 HB2 LEU A 18 14.525 5.888 0.683 1.00 0.00 H new ATOM 0 HB3 LEU A 18 14.854 4.243 0.175 1.00 0.00 H new ATOM 0 HG LEU A 18 12.128 5.570 0.275 1.00 0.00 H new ATOM 0 HD11 LEU A 18 12.236 5.361 -2.182 1.00 0.00 H new ATOM 0 HD12 LEU A 18 13.558 6.371 -1.551 1.00 0.00 H new ATOM 0 HD13 LEU A 18 13.880 4.693 -2.049 1.00 0.00 H new ATOM 0 HD21 LEU A 18 11.308 3.522 -0.816 1.00 0.00 H new ATOM 0 HD22 LEU A 18 12.920 2.788 -0.642 1.00 0.00 H new ATOM 0 HD23 LEU A 18 11.963 3.188 0.805 1.00 0.00 H new ATOM 321 N ASP A 19 16.281 4.290 2.733 1.00 0.00 N ATOM 322 CA ASP A 19 17.480 4.675 3.462 1.00 0.00 C ATOM 323 C ASP A 19 18.330 5.634 2.627 1.00 0.00 C ATOM 324 O ASP A 19 17.920 6.053 1.544 1.00 0.00 O ATOM 325 CB ASP A 19 18.272 3.419 3.844 1.00 0.00 C ATOM 326 CG ASP A 19 18.762 2.646 2.633 1.00 0.00 C ATOM 327 OD1 ASP A 19 18.583 3.139 1.500 1.00 0.00 O ATOM 328 OD2 ASP A 19 19.324 1.546 2.820 1.00 0.00 O ATOM 0 H ASP A 19 16.417 3.531 2.065 1.00 0.00 H new ATOM 0 HA ASP A 19 17.196 5.198 4.375 1.00 0.00 H new ATOM 0 HB2 ASP A 19 19.126 3.705 4.457 1.00 0.00 H new ATOM 0 HB3 ASP A 19 17.644 2.770 4.455 1.00 0.00 H new ATOM 333 N ARG A 20 19.523 5.956 3.116 1.00 0.00 N ATOM 334 CA ARG A 20 20.430 6.851 2.387 1.00 0.00 C ATOM 335 C ARG A 20 21.093 6.113 1.220 1.00 0.00 C ATOM 336 O ARG A 20 21.823 6.703 0.423 1.00 0.00 O ATOM 337 CB ARG A 20 21.500 7.443 3.317 1.00 0.00 C ATOM 338 CG ARG A 20 21.990 6.492 4.400 1.00 0.00 C ATOM 339 CD ARG A 20 21.499 6.908 5.781 1.00 0.00 C ATOM 340 NE ARG A 20 20.040 7.013 5.839 1.00 0.00 N ATOM 341 CZ ARG A 20 19.318 6.798 6.939 1.00 0.00 C ATOM 342 NH1 ARG A 20 19.911 6.483 8.084 1.00 0.00 N ATOM 343 NH2 ARG A 20 17.998 6.907 6.895 1.00 0.00 N ATOM 0 H ARG A 20 19.887 5.617 4.006 1.00 0.00 H new ATOM 0 HA ARG A 20 19.834 7.673 1.991 1.00 0.00 H new ATOM 0 HB2 ARG A 20 22.352 7.759 2.715 1.00 0.00 H new ATOM 0 HB3 ARG A 20 21.096 8.337 3.792 1.00 0.00 H new ATOM 0 HG2 ARG A 20 21.645 5.482 4.180 1.00 0.00 H new ATOM 0 HG3 ARG A 20 23.080 6.465 4.394 1.00 0.00 H new ATOM 0 HD2 ARG A 20 21.839 6.182 6.520 1.00 0.00 H new ATOM 0 HD3 ARG A 20 21.942 7.867 6.049 1.00 0.00 H new ATOM 0 HE ARG A 20 19.545 7.267 4.984 1.00 0.00 H new ATOM 0 HH11 ARG A 20 20.927 6.404 8.127 1.00 0.00 H new ATOM 0 HH12 ARG A 20 19.351 6.320 8.921 1.00 0.00 H new ATOM 0 HH21 ARG A 20 17.536 7.155 6.020 1.00 0.00 H new ATOM 0 HH22 ARG A 20 17.444 6.743 7.736 1.00 0.00 H new ATOM 357 N ASN A 21 20.828 4.814 1.144 1.00 0.00 N ATOM 358 CA ASN A 21 21.366 3.964 0.115 1.00 0.00 C ATOM 359 C ASN A 21 20.375 3.822 -1.034 1.00 0.00 C ATOM 360 O ASN A 21 20.718 3.338 -2.112 1.00 0.00 O ATOM 361 CB ASN A 21 21.668 2.604 0.721 1.00 0.00 C ATOM 362 CG ASN A 21 22.444 2.701 2.017 1.00 0.00 C ATOM 363 OD1 ASN A 21 23.356 3.517 2.151 1.00 0.00 O ATOM 364 ND2 ASN A 21 22.078 1.867 2.981 1.00 0.00 N ATOM 0 H ASN A 21 20.226 4.326 1.807 1.00 0.00 H new ATOM 0 HA ASN A 21 22.280 4.404 -0.284 1.00 0.00 H new ATOM 0 HB2 ASN A 21 20.732 2.075 0.901 1.00 0.00 H new ATOM 0 HB3 ASN A 21 22.237 2.010 0.005 1.00 0.00 H new ATOM 0 HD21 ASN A 21 22.559 1.885 3.880 1.00 0.00 H new ATOM 0 HD22 ASN A 21 21.316 1.208 2.823 1.00 0.00 H new ATOM 371 N GLY A 22 19.140 4.245 -0.785 1.00 0.00 N ATOM 372 CA GLY A 22 18.103 4.160 -1.786 1.00 0.00 C ATOM 373 C GLY A 22 17.374 2.833 -1.732 1.00 0.00 C ATOM 374 O GLY A 22 16.590 2.500 -2.620 1.00 0.00 O ATOM 0 H GLY A 22 18.841 4.648 0.103 1.00 0.00 H new ATOM 0 HA2 GLY A 22 17.390 4.972 -1.641 1.00 0.00 H new ATOM 0 HA3 GLY A 22 18.541 4.294 -2.775 1.00 0.00 H new ATOM 378 N ALA A 23 17.642 2.084 -0.673 1.00 0.00 N ATOM 379 CA ALA A 23 17.037 0.794 -0.455 1.00 0.00 C ATOM 380 C ALA A 23 15.794 0.955 0.396 1.00 0.00 C ATOM 381 O ALA A 23 15.730 1.829 1.258 1.00 0.00 O ATOM 382 CB ALA A 23 18.038 -0.132 0.215 1.00 0.00 C ATOM 0 H ALA A 23 18.292 2.364 0.061 1.00 0.00 H new ATOM 0 HA ALA A 23 16.748 0.355 -1.410 1.00 0.00 H new ATOM 0 HB1 ALA A 23 17.579 -1.107 0.379 1.00 0.00 H new ATOM 0 HB2 ALA A 23 18.913 -0.246 -0.425 1.00 0.00 H new ATOM 0 HB3 ALA A 23 18.341 0.292 1.172 1.00 0.00 H new ATOM 388 N VAL A 24 14.805 0.126 0.146 1.00 0.00 N ATOM 389 CA VAL A 24 13.555 0.198 0.882 1.00 0.00 C ATOM 390 C VAL A 24 13.672 -0.498 2.228 1.00 0.00 C ATOM 391 O VAL A 24 13.835 -1.716 2.298 1.00 0.00 O ATOM 392 CB VAL A 24 12.425 -0.419 0.055 1.00 0.00 C ATOM 393 CG1 VAL A 24 11.079 -0.192 0.727 1.00 0.00 C ATOM 394 CG2 VAL A 24 12.460 0.169 -1.349 1.00 0.00 C ATOM 0 H VAL A 24 14.839 -0.608 -0.562 1.00 0.00 H new ATOM 0 HA VAL A 24 13.326 1.247 1.068 1.00 0.00 H new ATOM 0 HB VAL A 24 12.567 -1.498 -0.014 1.00 0.00 H new ATOM 0 HG11 VAL A 24 10.290 -0.639 0.122 1.00 0.00 H new ATOM 0 HG12 VAL A 24 11.083 -0.652 1.715 1.00 0.00 H new ATOM 0 HG13 VAL A 24 10.898 0.878 0.826 1.00 0.00 H new ATOM 0 HG21 VAL A 24 11.658 -0.265 -1.945 1.00 0.00 H new ATOM 0 HG22 VAL A 24 12.327 1.250 -1.294 1.00 0.00 H new ATOM 0 HG23 VAL A 24 13.420 -0.056 -1.814 1.00 0.00 H new ATOM 404 N LYS A 25 13.612 0.287 3.296 1.00 0.00 N ATOM 405 CA LYS A 25 13.739 -0.254 4.638 1.00 0.00 C ATOM 406 C LYS A 25 12.389 -0.588 5.257 1.00 0.00 C ATOM 407 O LYS A 25 12.283 -1.540 6.031 1.00 0.00 O ATOM 408 CB LYS A 25 14.499 0.726 5.537 1.00 0.00 C ATOM 409 CG LYS A 25 15.983 0.817 5.211 1.00 0.00 C ATOM 410 CD LYS A 25 16.634 -0.558 5.212 1.00 0.00 C ATOM 411 CE LYS A 25 18.144 -0.462 5.356 1.00 0.00 C ATOM 412 NZ LYS A 25 18.553 -0.182 6.760 1.00 0.00 N ATOM 0 H LYS A 25 13.477 1.297 3.257 1.00 0.00 H new ATOM 0 HA LYS A 25 14.300 -1.185 4.556 1.00 0.00 H new ATOM 0 HB2 LYS A 25 14.052 1.716 5.443 1.00 0.00 H new ATOM 0 HB3 LYS A 25 14.381 0.421 6.577 1.00 0.00 H new ATOM 0 HG2 LYS A 25 16.115 1.284 4.235 1.00 0.00 H new ATOM 0 HG3 LYS A 25 16.479 1.457 5.940 1.00 0.00 H new ATOM 0 HD2 LYS A 25 16.227 -1.153 6.029 1.00 0.00 H new ATOM 0 HD3 LYS A 25 16.389 -1.078 4.286 1.00 0.00 H new ATOM 0 HE2 LYS A 25 18.600 -1.395 5.025 1.00 0.00 H new ATOM 0 HE3 LYS A 25 18.521 0.326 4.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 19.590 -0.208 6.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 18.210 0.759 7.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 18.144 -0.901 7.391 1.00 0.00 H new ATOM 426 N LEU A 26 11.358 0.191 4.946 1.00 0.00 N ATOM 427 CA LEU A 26 10.040 -0.066 5.531 1.00 0.00 C ATOM 428 C LEU A 26 8.908 0.418 4.643 1.00 0.00 C ATOM 429 O LEU A 26 9.112 1.257 3.781 1.00 0.00 O ATOM 430 CB LEU A 26 9.944 0.650 6.876 1.00 0.00 C ATOM 431 CG LEU A 26 10.039 -0.244 8.103 1.00 0.00 C ATOM 432 CD1 LEU A 26 10.428 0.579 9.320 1.00 0.00 C ATOM 433 CD2 LEU A 26 8.718 -0.956 8.336 1.00 0.00 C ATOM 0 H LEU A 26 11.402 0.987 4.309 1.00 0.00 H new ATOM 0 HA LEU A 26 9.938 -1.145 5.647 1.00 0.00 H new ATOM 0 HB2 LEU A 26 10.738 1.395 6.929 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.998 1.190 6.914 1.00 0.00 H new ATOM 0 HG LEU A 26 10.810 -0.996 7.935 1.00 0.00 H new ATOM 0 HD11 LEU A 26 10.493 -0.071 10.193 1.00 0.00 H new ATOM 0 HD12 LEU A 26 11.395 1.051 9.146 1.00 0.00 H new ATOM 0 HD13 LEU A 26 9.675 1.348 9.495 1.00 0.00 H new ATOM 0 HD21 LEU A 26 8.798 -1.593 9.217 1.00 0.00 H new ATOM 0 HD22 LEU A 26 7.930 -0.219 8.492 1.00 0.00 H new ATOM 0 HD23 LEU A 26 8.476 -1.568 7.467 1.00 0.00 H new ATOM 445 N TYR A 27 7.703 -0.107 4.853 1.00 0.00 N ATOM 446 CA TYR A 27 6.535 0.300 4.073 1.00 0.00 C ATOM 447 C TYR A 27 5.351 0.553 5.001 1.00 0.00 C ATOM 448 O TYR A 27 5.203 -0.108 6.029 1.00 0.00 O ATOM 449 CB TYR A 27 6.095 -0.793 3.092 1.00 0.00 C ATOM 450 CG TYR A 27 7.006 -1.019 1.916 1.00 0.00 C ATOM 451 CD1 TYR A 27 7.117 -0.080 0.910 1.00 0.00 C ATOM 452 CD2 TYR A 27 7.722 -2.192 1.803 1.00 0.00 C ATOM 453 CE1 TYR A 27 7.932 -0.299 -0.181 1.00 0.00 C ATOM 454 CE2 TYR A 27 8.532 -2.434 0.717 1.00 0.00 C ATOM 455 CZ TYR A 27 8.638 -1.482 -0.276 1.00 0.00 C ATOM 456 OH TYR A 27 9.444 -1.716 -1.366 1.00 0.00 O ATOM 0 H TYR A 27 7.509 -0.817 5.559 1.00 0.00 H new ATOM 0 HA TYR A 27 6.823 1.198 3.527 1.00 0.00 H new ATOM 0 HB2 TYR A 27 6.000 -1.730 3.640 1.00 0.00 H new ATOM 0 HB3 TYR A 27 5.103 -0.541 2.717 1.00 0.00 H new ATOM 0 HD1 TYR A 27 6.557 0.841 0.978 1.00 0.00 H new ATOM 0 HD2 TYR A 27 7.646 -2.936 2.582 1.00 0.00 H new ATOM 0 HE1 TYR A 27 8.017 0.449 -0.955 1.00 0.00 H new ATOM 0 HE2 TYR A 27 9.080 -3.362 0.643 1.00 0.00 H new ATOM 0 HH TYR A 27 9.869 -2.594 -1.276 1.00 0.00 H new ATOM 466 N ARG A 28 4.489 1.471 4.600 1.00 0.00 N ATOM 467 CA ARG A 28 3.284 1.781 5.342 1.00 0.00 C ATOM 468 C ARG A 28 2.101 1.164 4.638 1.00 0.00 C ATOM 469 O ARG A 28 1.912 1.393 3.421 1.00 0.00 O ATOM 470 CB ARG A 28 3.034 3.279 5.434 1.00 0.00 C ATOM 471 CG ARG A 28 1.710 3.624 6.105 1.00 0.00 C ATOM 472 CD ARG A 28 1.623 5.097 6.453 1.00 0.00 C ATOM 473 NE ARG A 28 0.253 5.522 6.740 1.00 0.00 N ATOM 474 CZ ARG A 28 -0.274 5.559 7.962 1.00 0.00 C ATOM 475 NH1 ARG A 28 0.421 5.133 9.009 1.00 0.00 N ATOM 476 NH2 ARG A 28 -1.508 6.012 8.137 1.00 0.00 N ATOM 0 H ARG A 28 4.607 2.022 3.750 1.00 0.00 H new ATOM 0 HA ARG A 28 3.412 1.384 6.349 1.00 0.00 H new ATOM 0 HB2 ARG A 28 3.848 3.744 5.990 1.00 0.00 H new ATOM 0 HB3 ARG A 28 3.048 3.706 4.431 1.00 0.00 H new ATOM 0 HG2 ARG A 28 0.886 3.358 5.443 1.00 0.00 H new ATOM 0 HG3 ARG A 28 1.596 3.029 7.011 1.00 0.00 H new ATOM 0 HD2 ARG A 28 2.253 5.301 7.319 1.00 0.00 H new ATOM 0 HD3 ARG A 28 2.018 5.687 5.626 1.00 0.00 H new ATOM 0 HE ARG A 28 -0.334 5.807 5.956 1.00 0.00 H new ATOM 0 HH11 ARG A 28 1.367 4.774 8.881 1.00 0.00 H new ATOM 0 HH12 ARG A 28 0.009 5.165 9.942 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -2.052 6.332 7.336 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -1.913 6.041 9.073 1.00 0.00 H new ATOM 490 N ILE A 29 1.329 0.391 5.413 1.00 0.00 N ATOM 491 CA ILE A 29 0.138 -0.287 4.921 1.00 0.00 C ATOM 492 C ILE A 29 -1.056 0.044 5.810 1.00 0.00 C ATOM 493 O ILE A 29 -1.204 -0.508 6.897 1.00 0.00 O ATOM 494 CB ILE A 29 0.339 -1.814 4.889 1.00 0.00 C ATOM 495 CG1 ILE A 29 1.644 -2.147 4.149 1.00 0.00 C ATOM 496 CG2 ILE A 29 -0.870 -2.494 4.252 1.00 0.00 C ATOM 497 CD1 ILE A 29 1.519 -3.212 3.081 1.00 0.00 C ATOM 0 H ILE A 29 1.519 0.222 6.401 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.049 0.061 3.905 1.00 0.00 H new ATOM 0 HB ILE A 29 0.424 -2.195 5.907 1.00 0.00 H new ATOM 0 HG12 ILE A 29 2.026 -1.236 3.689 1.00 0.00 H new ATOM 0 HG13 ILE A 29 2.386 -2.471 4.879 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -0.714 -3.573 4.236 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -1.764 -2.265 4.832 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -0.996 -2.131 3.232 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.491 -3.377 2.616 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.170 -4.141 3.532 1.00 0.00 H new ATOM 0 HD13 ILE A 29 0.805 -2.886 2.324 1.00 0.00 H new ATOM 509 N ARG A 30 -1.893 0.955 5.341 1.00 0.00 N ATOM 510 CA ARG A 30 -3.069 1.381 6.075 1.00 0.00 C ATOM 511 C ARG A 30 -4.247 0.461 5.776 1.00 0.00 C ATOM 512 O ARG A 30 -4.286 -0.182 4.728 1.00 0.00 O ATOM 513 CB ARG A 30 -3.411 2.830 5.711 1.00 0.00 C ATOM 514 CG ARG A 30 -3.628 3.057 4.224 1.00 0.00 C ATOM 515 CD ARG A 30 -4.742 4.056 3.969 1.00 0.00 C ATOM 516 NE ARG A 30 -4.647 5.222 4.848 1.00 0.00 N ATOM 517 CZ ARG A 30 -3.898 6.293 4.588 1.00 0.00 C ATOM 518 NH1 ARG A 30 -3.177 6.360 3.474 1.00 0.00 N ATOM 519 NH2 ARG A 30 -3.871 7.304 5.448 1.00 0.00 N ATOM 0 H ARG A 30 -1.775 1.419 4.440 1.00 0.00 H new ATOM 0 HA ARG A 30 -2.859 1.326 7.143 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -4.311 3.126 6.249 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -2.606 3.480 6.054 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -2.704 3.418 3.772 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -3.870 2.110 3.742 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -4.705 4.382 2.930 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -5.706 3.569 4.116 1.00 0.00 H new ATOM 0 HE ARG A 30 -5.187 5.215 5.713 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -3.194 5.587 2.809 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -2.607 7.184 3.284 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -4.423 7.260 6.305 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -3.299 8.125 5.252 1.00 0.00 H new ATOM 533 N TRP A 31 -5.203 0.395 6.699 1.00 0.00 N ATOM 534 CA TRP A 31 -6.388 -0.442 6.514 1.00 0.00 C ATOM 535 C TRP A 31 -7.524 0.018 7.421 1.00 0.00 C ATOM 536 O TRP A 31 -7.707 -0.506 8.520 1.00 0.00 O ATOM 537 CB TRP A 31 -6.124 -1.944 6.756 1.00 0.00 C ATOM 538 CG TRP A 31 -4.705 -2.302 7.052 1.00 0.00 C ATOM 539 CD1 TRP A 31 -3.824 -1.569 7.765 1.00 0.00 C ATOM 540 CD2 TRP A 31 -4.015 -3.490 6.648 1.00 0.00 C ATOM 541 NE1 TRP A 31 -2.610 -2.213 7.829 1.00 0.00 N ATOM 542 CE2 TRP A 31 -2.705 -3.398 7.149 1.00 0.00 C ATOM 543 CE3 TRP A 31 -4.377 -4.616 5.908 1.00 0.00 C ATOM 544 CZ2 TRP A 31 -1.754 -4.392 6.935 1.00 0.00 C ATOM 545 CZ3 TRP A 31 -3.435 -5.604 5.695 1.00 0.00 C ATOM 546 CH2 TRP A 31 -2.136 -5.488 6.207 1.00 0.00 C ATOM 0 H TRP A 31 -5.182 0.909 7.580 1.00 0.00 H new ATOM 0 HA TRP A 31 -6.669 -0.324 5.468 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -6.746 -2.276 7.587 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -6.446 -2.499 5.875 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -4.041 -0.614 8.220 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -1.777 -1.865 8.304 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -5.376 -4.714 5.509 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -0.752 -4.302 7.328 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -3.704 -6.480 5.124 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -1.422 -6.278 6.024 1.00 0.00 H new ATOM 557 N LEU A 32 -8.294 0.992 6.950 1.00 0.00 N ATOM 558 CA LEU A 32 -9.424 1.511 7.719 1.00 0.00 C ATOM 559 C LEU A 32 -10.389 0.384 8.088 1.00 0.00 C ATOM 560 O LEU A 32 -10.532 0.029 9.254 1.00 0.00 O ATOM 561 CB LEU A 32 -10.180 2.612 6.949 1.00 0.00 C ATOM 562 CG LEU A 32 -9.717 2.884 5.511 1.00 0.00 C ATOM 563 CD1 LEU A 32 -10.029 1.698 4.611 1.00 0.00 C ATOM 564 CD2 LEU A 32 -10.371 4.150 4.974 1.00 0.00 C ATOM 0 H LEU A 32 -8.159 1.438 6.043 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.019 1.950 8.630 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -11.237 2.345 6.922 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -10.100 3.540 7.515 1.00 0.00 H new ATOM 0 HG LEU A 32 -8.637 3.029 5.520 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -9.692 1.912 3.597 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -9.515 0.813 4.984 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -11.104 1.518 4.606 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -10.033 4.329 3.953 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -11.454 4.031 4.982 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -10.095 4.997 5.602 1.00 0.00 H new ATOM 576 N ASN A 33 -11.071 -0.137 7.075 1.00 0.00 N ATOM 577 CA ASN A 33 -12.059 -1.205 7.250 1.00 0.00 C ATOM 578 C ASN A 33 -11.687 -2.153 8.401 1.00 0.00 C ATOM 579 O ASN A 33 -12.534 -2.485 9.230 1.00 0.00 O ATOM 580 CB ASN A 33 -12.214 -1.993 5.954 1.00 0.00 C ATOM 581 CG ASN A 33 -13.229 -1.388 5.021 1.00 0.00 C ATOM 582 OD1 ASN A 33 -13.423 -0.174 4.981 1.00 0.00 O ATOM 583 ND2 ASN A 33 -13.886 -2.250 4.265 1.00 0.00 N ATOM 0 H ASN A 33 -10.958 0.166 6.108 1.00 0.00 H new ATOM 0 HA ASN A 33 -13.008 -0.734 7.507 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -11.249 -2.046 5.449 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -12.508 -3.016 6.189 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -14.593 -1.918 3.609 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -13.686 -3.248 4.338 1.00 0.00 H new ATOM 590 N TYR A 34 -10.416 -2.558 8.470 1.00 0.00 N ATOM 591 CA TYR A 34 -9.954 -3.450 9.544 1.00 0.00 C ATOM 592 C TYR A 34 -9.634 -2.651 10.800 1.00 0.00 C ATOM 593 O TYR A 34 -9.621 -1.423 10.776 1.00 0.00 O ATOM 594 CB TYR A 34 -8.694 -4.221 9.127 1.00 0.00 C ATOM 595 CG TYR A 34 -8.883 -5.174 7.962 1.00 0.00 C ATOM 596 CD1 TYR A 34 -10.132 -5.691 7.649 1.00 0.00 C ATOM 597 CD2 TYR A 34 -7.802 -5.558 7.178 1.00 0.00 C ATOM 598 CE1 TYR A 34 -10.299 -6.563 6.592 1.00 0.00 C ATOM 599 CE2 TYR A 34 -7.960 -6.429 6.119 1.00 0.00 C ATOM 600 CZ TYR A 34 -9.212 -6.928 5.830 1.00 0.00 C ATOM 601 OH TYR A 34 -9.377 -7.796 4.774 1.00 0.00 O ATOM 0 H TYR A 34 -9.693 -2.287 7.804 1.00 0.00 H new ATOM 0 HA TYR A 34 -10.760 -4.157 9.743 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -7.916 -3.503 8.867 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -8.332 -4.787 9.985 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -10.988 -5.406 8.243 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -6.820 -5.168 7.401 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -11.278 -6.957 6.364 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -7.108 -6.718 5.521 1.00 0.00 H new ATOM 0 HH TYR A 34 -8.512 -7.950 4.339 1.00 0.00 H new ATOM 611 N SER A 35 -9.365 -3.354 11.896 1.00 0.00 N ATOM 612 CA SER A 35 -9.031 -2.702 13.159 1.00 0.00 C ATOM 613 C SER A 35 -9.944 -1.500 13.423 1.00 0.00 C ATOM 614 O SER A 35 -11.052 -1.426 12.892 1.00 0.00 O ATOM 615 CB SER A 35 -7.565 -2.263 13.133 1.00 0.00 C ATOM 616 OG SER A 35 -7.428 -0.965 12.582 1.00 0.00 O ATOM 0 H SER A 35 -9.372 -4.373 11.936 1.00 0.00 H new ATOM 0 HA SER A 35 -9.183 -3.415 13.969 1.00 0.00 H new ATOM 0 HB2 SER A 35 -7.161 -2.276 14.145 1.00 0.00 H new ATOM 0 HB3 SER A 35 -6.981 -2.973 12.548 1.00 0.00 H new ATOM 0 HG SER A 35 -8.025 -0.873 11.810 1.00 0.00 H new ATOM 622 N SER A 36 -9.472 -0.559 14.238 1.00 0.00 N ATOM 623 CA SER A 36 -10.248 0.636 14.560 1.00 0.00 C ATOM 624 C SER A 36 -9.632 1.874 13.910 1.00 0.00 C ATOM 625 O SER A 36 -8.915 2.634 14.559 1.00 0.00 O ATOM 626 CB SER A 36 -10.320 0.826 16.077 1.00 0.00 C ATOM 627 OG SER A 36 -9.061 0.588 16.682 1.00 0.00 O ATOM 0 H SER A 36 -8.557 -0.601 14.687 1.00 0.00 H new ATOM 0 HA SER A 36 -11.256 0.504 14.168 1.00 0.00 H new ATOM 0 HB2 SER A 36 -10.650 1.840 16.304 1.00 0.00 H new ATOM 0 HB3 SER A 36 -11.063 0.147 16.497 1.00 0.00 H new ATOM 0 HG SER A 36 -8.390 1.183 16.286 1.00 0.00 H new ATOM 633 N ARG A 37 -9.920 2.072 12.623 1.00 0.00 N ATOM 634 CA ARG A 37 -9.397 3.218 11.882 1.00 0.00 C ATOM 635 C ARG A 37 -7.892 3.367 12.089 1.00 0.00 C ATOM 636 O ARG A 37 -7.365 4.479 12.097 1.00 0.00 O ATOM 637 CB ARG A 37 -10.103 4.500 12.322 1.00 0.00 C ATOM 638 CG ARG A 37 -11.600 4.497 12.061 1.00 0.00 C ATOM 639 CD ARG A 37 -12.366 5.135 13.210 1.00 0.00 C ATOM 640 NE ARG A 37 -13.483 5.952 12.738 1.00 0.00 N ATOM 641 CZ ARG A 37 -13.384 7.241 12.420 1.00 0.00 C ATOM 642 NH1 ARG A 37 -12.222 7.877 12.519 1.00 0.00 N ATOM 643 NH2 ARG A 37 -14.456 7.899 11.999 1.00 0.00 N ATOM 0 H ARG A 37 -10.514 1.452 12.072 1.00 0.00 H new ATOM 0 HA ARG A 37 -9.586 3.045 10.823 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -9.930 4.652 13.387 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -9.655 5.347 11.803 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -11.811 5.036 11.138 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -11.944 3.473 11.917 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -12.742 4.355 13.872 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -11.688 5.753 13.798 1.00 0.00 H new ATOM 0 HE ARG A 37 -14.396 5.506 12.647 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -11.393 7.378 12.842 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -12.159 8.865 12.272 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -15.352 7.417 11.920 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -14.385 8.887 11.754 1.00 0.00 H new ATOM 657 N SER A 38 -7.208 2.242 12.271 1.00 0.00 N ATOM 658 CA SER A 38 -5.767 2.256 12.496 1.00 0.00 C ATOM 659 C SER A 38 -4.990 1.783 11.269 1.00 0.00 C ATOM 660 O SER A 38 -5.548 1.199 10.341 1.00 0.00 O ATOM 661 CB SER A 38 -5.410 1.377 13.696 1.00 0.00 C ATOM 662 OG SER A 38 -4.131 1.706 14.206 1.00 0.00 O ATOM 0 H SER A 38 -7.627 1.312 12.267 1.00 0.00 H new ATOM 0 HA SER A 38 -5.483 3.289 12.696 1.00 0.00 H new ATOM 0 HB2 SER A 38 -6.160 1.501 14.478 1.00 0.00 H new ATOM 0 HB3 SER A 38 -5.428 0.328 13.401 1.00 0.00 H new ATOM 0 HG SER A 38 -3.927 1.131 14.973 1.00 0.00 H new ATOM 668 N ASP A 39 -3.687 2.041 11.299 1.00 0.00 N ATOM 669 CA ASP A 39 -2.767 1.658 10.231 1.00 0.00 C ATOM 670 C ASP A 39 -1.427 1.324 10.859 1.00 0.00 C ATOM 671 O ASP A 39 -1.135 1.811 11.953 1.00 0.00 O ATOM 672 CB ASP A 39 -2.600 2.810 9.237 1.00 0.00 C ATOM 673 CG ASP A 39 -3.920 3.258 8.641 1.00 0.00 C ATOM 674 OD1 ASP A 39 -4.751 2.386 8.313 1.00 0.00 O ATOM 675 OD2 ASP A 39 -4.122 4.484 8.501 1.00 0.00 O ATOM 0 H ASP A 39 -3.234 2.527 12.073 1.00 0.00 H new ATOM 0 HA ASP A 39 -3.160 0.796 9.693 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -2.127 3.654 9.740 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -1.930 2.500 8.435 1.00 0.00 H new ATOM 680 N THR A 40 -0.590 0.519 10.209 1.00 0.00 N ATOM 681 CA THR A 40 0.701 0.182 10.786 1.00 0.00 C ATOM 682 C THR A 40 1.748 0.000 9.690 1.00 0.00 C ATOM 683 O THR A 40 1.440 0.055 8.491 1.00 0.00 O ATOM 684 CB THR A 40 0.595 -1.092 11.626 1.00 0.00 C ATOM 685 OG1 THR A 40 1.846 -1.756 11.715 1.00 0.00 O ATOM 686 CG2 THR A 40 -0.410 -2.080 11.080 1.00 0.00 C ATOM 0 H THR A 40 -0.780 0.097 9.300 1.00 0.00 H new ATOM 0 HA THR A 40 1.011 1.004 11.432 1.00 0.00 H new ATOM 0 HB THR A 40 0.263 -0.757 12.609 1.00 0.00 H new ATOM 0 HG1 THR A 40 1.749 -2.566 12.259 1.00 0.00 H new ATOM 0 HG21 THR A 40 -0.438 -2.962 11.720 1.00 0.00 H new ATOM 0 HG22 THR A 40 -1.397 -1.618 11.055 1.00 0.00 H new ATOM 0 HG23 THR A 40 -0.121 -2.373 10.071 1.00 0.00 H new ATOM 694 N TRP A 41 2.989 -0.198 10.111 1.00 0.00 N ATOM 695 CA TRP A 41 4.090 -0.368 9.189 1.00 0.00 C ATOM 696 C TRP A 41 4.662 -1.779 9.265 1.00 0.00 C ATOM 697 O TRP A 41 4.655 -2.424 10.314 1.00 0.00 O ATOM 698 CB TRP A 41 5.173 0.672 9.481 1.00 0.00 C ATOM 699 CG TRP A 41 4.629 2.066 9.523 1.00 0.00 C ATOM 700 CD1 TRP A 41 3.722 2.564 10.410 1.00 0.00 C ATOM 701 CD2 TRP A 41 4.941 3.134 8.628 1.00 0.00 C ATOM 702 NE1 TRP A 41 3.443 3.876 10.114 1.00 0.00 N ATOM 703 CE2 TRP A 41 4.187 4.253 9.024 1.00 0.00 C ATOM 704 CE3 TRP A 41 5.784 3.248 7.526 1.00 0.00 C ATOM 705 CZ2 TRP A 41 4.258 5.473 8.354 1.00 0.00 C ATOM 706 CZ3 TRP A 41 5.856 4.454 6.858 1.00 0.00 C ATOM 707 CH2 TRP A 41 5.098 5.554 7.275 1.00 0.00 C ATOM 0 H TRP A 41 3.254 -0.244 11.095 1.00 0.00 H new ATOM 0 HA TRP A 41 3.718 -0.220 8.175 1.00 0.00 H new ATOM 0 HB2 TRP A 41 5.647 0.441 10.435 1.00 0.00 H new ATOM 0 HB3 TRP A 41 5.948 0.610 8.717 1.00 0.00 H new ATOM 0 HD1 TRP A 41 3.286 2.008 11.227 1.00 0.00 H new ATOM 0 HE1 TRP A 41 2.790 4.473 10.621 1.00 0.00 H new ATOM 0 HE3 TRP A 41 6.374 2.405 7.198 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 3.673 6.323 8.673 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 6.507 4.550 6.001 1.00 0.00 H new ATOM 0 HH2 TRP A 41 5.177 6.486 6.735 1.00 0.00 H new ATOM 718 N GLU A 42 5.171 -2.224 8.134 1.00 0.00 N ATOM 719 CA GLU A 42 5.772 -3.526 7.992 1.00 0.00 C ATOM 720 C GLU A 42 6.990 -3.415 7.087 1.00 0.00 C ATOM 721 O GLU A 42 7.065 -2.504 6.274 1.00 0.00 O ATOM 722 CB GLU A 42 4.774 -4.505 7.372 1.00 0.00 C ATOM 723 CG GLU A 42 3.331 -4.018 7.358 1.00 0.00 C ATOM 724 CD GLU A 42 2.333 -5.153 7.245 1.00 0.00 C ATOM 725 OE1 GLU A 42 2.372 -5.876 6.229 1.00 0.00 O ATOM 726 OE2 GLU A 42 1.513 -5.318 8.173 1.00 0.00 O ATOM 0 H GLU A 42 5.176 -1.677 7.273 1.00 0.00 H new ATOM 0 HA GLU A 42 6.066 -3.893 8.976 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.082 -4.717 6.348 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.820 -5.446 7.920 1.00 0.00 H new ATOM 0 HG2 GLU A 42 3.133 -3.455 8.270 1.00 0.00 H new ATOM 0 HG3 GLU A 42 3.191 -3.332 6.523 1.00 0.00 H new ATOM 733 N PRO A 43 7.950 -4.342 7.180 1.00 0.00 N ATOM 734 CA PRO A 43 9.124 -4.308 6.320 1.00 0.00 C ATOM 735 C PRO A 43 8.751 -4.651 4.880 1.00 0.00 C ATOM 736 O PRO A 43 7.620 -5.046 4.606 1.00 0.00 O ATOM 737 CB PRO A 43 10.068 -5.366 6.897 1.00 0.00 C ATOM 738 CG PRO A 43 9.397 -5.924 8.116 1.00 0.00 C ATOM 739 CD PRO A 43 7.954 -5.490 8.088 1.00 0.00 C ATOM 0 HA PRO A 43 9.581 -3.319 6.294 1.00 0.00 H new ATOM 0 HB2 PRO A 43 10.260 -6.152 6.167 1.00 0.00 H new ATOM 0 HB3 PRO A 43 11.032 -4.926 7.153 1.00 0.00 H new ATOM 0 HG2 PRO A 43 9.468 -7.012 8.127 1.00 0.00 H new ATOM 0 HG3 PRO A 43 9.887 -5.563 9.020 1.00 0.00 H new ATOM 0 HD2 PRO A 43 7.304 -6.287 7.727 1.00 0.00 H new ATOM 0 HD3 PRO A 43 7.600 -5.215 9.082 1.00 0.00 H new ATOM 747 N PRO A 44 9.706 -4.562 3.943 1.00 0.00 N ATOM 748 CA PRO A 44 9.463 -4.889 2.541 1.00 0.00 C ATOM 749 C PRO A 44 9.630 -6.369 2.269 1.00 0.00 C ATOM 750 O PRO A 44 8.850 -6.986 1.547 1.00 0.00 O ATOM 751 CB PRO A 44 10.550 -4.086 1.855 1.00 0.00 C ATOM 752 CG PRO A 44 11.691 -4.182 2.758 1.00 0.00 C ATOM 753 CD PRO A 44 11.118 -4.187 4.164 1.00 0.00 C ATOM 0 HA PRO A 44 8.451 -4.661 2.207 1.00 0.00 H new ATOM 0 HB2 PRO A 44 10.785 -4.493 0.872 1.00 0.00 H new ATOM 0 HB3 PRO A 44 10.246 -3.050 1.707 1.00 0.00 H new ATOM 0 HG2 PRO A 44 12.263 -5.090 2.567 1.00 0.00 H new ATOM 0 HG3 PRO A 44 12.371 -3.342 2.617 1.00 0.00 H new ATOM 0 HD2 PRO A 44 11.630 -4.903 4.807 1.00 0.00 H new ATOM 0 HD3 PRO A 44 11.207 -3.211 4.640 1.00 0.00 H new ATOM 761 N GLU A 45 10.683 -6.916 2.838 1.00 0.00 N ATOM 762 CA GLU A 45 11.002 -8.332 2.680 1.00 0.00 C ATOM 763 C GLU A 45 9.787 -9.204 3.005 1.00 0.00 C ATOM 764 O GLU A 45 9.653 -10.314 2.490 1.00 0.00 O ATOM 765 CB GLU A 45 12.181 -8.717 3.579 1.00 0.00 C ATOM 766 CG GLU A 45 13.539 -8.394 2.976 1.00 0.00 C ATOM 767 CD GLU A 45 14.596 -9.418 3.340 1.00 0.00 C ATOM 768 OE1 GLU A 45 14.252 -10.613 3.450 1.00 0.00 O ATOM 769 OE2 GLU A 45 15.770 -9.025 3.515 1.00 0.00 O ATOM 0 H GLU A 45 11.343 -6.401 3.421 1.00 0.00 H new ATOM 0 HA GLU A 45 11.280 -8.502 1.640 1.00 0.00 H new ATOM 0 HB2 GLU A 45 12.084 -8.198 4.533 1.00 0.00 H new ATOM 0 HB3 GLU A 45 12.132 -9.785 3.791 1.00 0.00 H new ATOM 0 HG2 GLU A 45 13.448 -8.341 1.891 1.00 0.00 H new ATOM 0 HG3 GLU A 45 13.859 -7.410 3.317 1.00 0.00 H new ATOM 776 N ASN A 46 8.891 -8.683 3.846 1.00 0.00 N ATOM 777 CA ASN A 46 7.681 -9.390 4.220 1.00 0.00 C ATOM 778 C ASN A 46 6.752 -9.489 3.019 1.00 0.00 C ATOM 779 O ASN A 46 5.951 -10.418 2.905 1.00 0.00 O ATOM 780 CB ASN A 46 6.977 -8.641 5.347 1.00 0.00 C ATOM 781 CG ASN A 46 7.618 -8.855 6.703 1.00 0.00 C ATOM 782 OD1 ASN A 46 8.701 -9.427 6.813 1.00 0.00 O ATOM 783 ND2 ASN A 46 6.938 -8.390 7.748 1.00 0.00 N ATOM 0 H ASN A 46 8.989 -7.765 4.280 1.00 0.00 H new ATOM 0 HA ASN A 46 7.942 -10.393 4.558 1.00 0.00 H new ATOM 0 HB2 ASN A 46 6.974 -7.575 5.119 1.00 0.00 H new ATOM 0 HB3 ASN A 46 5.936 -8.960 5.391 1.00 0.00 H new ATOM 0 HD21 ASN A 46 7.312 -8.502 8.690 1.00 0.00 H new ATOM 0 HD22 ASN A 46 6.043 -7.922 7.607 1.00 0.00 H new ATOM 790 N LEU A 47 6.871 -8.509 2.129 1.00 0.00 N ATOM 791 CA LEU A 47 6.053 -8.460 0.927 1.00 0.00 C ATOM 792 C LEU A 47 6.716 -9.231 -0.207 1.00 0.00 C ATOM 793 O LEU A 47 6.469 -8.955 -1.380 1.00 0.00 O ATOM 794 CB LEU A 47 5.835 -7.027 0.458 1.00 0.00 C ATOM 795 CG LEU A 47 6.180 -5.912 1.444 1.00 0.00 C ATOM 796 CD1 LEU A 47 6.515 -4.659 0.673 1.00 0.00 C ATOM 797 CD2 LEU A 47 5.043 -5.637 2.408 1.00 0.00 C ATOM 0 H LEU A 47 7.530 -7.736 2.220 1.00 0.00 H new ATOM 0 HA LEU A 47 5.093 -8.910 1.181 1.00 0.00 H new ATOM 0 HB2 LEU A 47 6.424 -6.874 -0.446 1.00 0.00 H new ATOM 0 HB3 LEU A 47 4.787 -6.918 0.178 1.00 0.00 H new ATOM 0 HG LEU A 47 7.037 -6.233 2.036 1.00 0.00 H new ATOM 0 HD11 LEU A 47 6.762 -3.858 1.370 1.00 0.00 H new ATOM 0 HD12 LEU A 47 7.368 -4.850 0.022 1.00 0.00 H new ATOM 0 HD13 LEU A 47 5.657 -4.363 0.070 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.330 -4.838 3.091 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.157 -5.336 1.849 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.823 -6.540 2.978 1.00 0.00 H new ATOM 809 N SER A 48 7.566 -10.180 0.140 1.00 0.00 N ATOM 810 CA SER A 48 8.263 -10.974 -0.861 1.00 0.00 C ATOM 811 C SER A 48 7.266 -11.719 -1.739 1.00 0.00 C ATOM 812 O SER A 48 7.361 -11.691 -2.967 1.00 0.00 O ATOM 813 CB SER A 48 9.213 -11.968 -0.190 1.00 0.00 C ATOM 814 OG SER A 48 8.616 -12.551 0.956 1.00 0.00 O ATOM 0 H SER A 48 7.792 -10.421 1.105 1.00 0.00 H new ATOM 0 HA SER A 48 8.846 -10.299 -1.487 1.00 0.00 H new ATOM 0 HB2 SER A 48 9.486 -12.750 -0.899 1.00 0.00 H new ATOM 0 HB3 SER A 48 10.134 -11.460 0.095 1.00 0.00 H new ATOM 0 HG SER A 48 8.821 -12.006 1.744 1.00 0.00 H new ATOM 820 N GLY A 49 6.321 -12.395 -1.101 1.00 0.00 N ATOM 821 CA GLY A 49 5.330 -13.150 -1.835 1.00 0.00 C ATOM 822 C GLY A 49 4.137 -12.321 -2.272 1.00 0.00 C ATOM 823 O GLY A 49 3.213 -12.855 -2.885 1.00 0.00 O ATOM 0 H GLY A 49 6.224 -12.433 -0.086 1.00 0.00 H new ATOM 0 HA2 GLY A 49 5.799 -13.589 -2.715 1.00 0.00 H new ATOM 0 HA3 GLY A 49 4.981 -13.975 -1.214 1.00 0.00 H new ATOM 827 N CYS A 50 4.128 -11.020 -1.961 1.00 0.00 N ATOM 828 CA CYS A 50 3.002 -10.180 -2.355 1.00 0.00 C ATOM 829 C CYS A 50 2.705 -10.349 -3.837 1.00 0.00 C ATOM 830 O CYS A 50 1.676 -10.921 -4.199 1.00 0.00 O ATOM 831 CB CYS A 50 3.256 -8.711 -2.005 1.00 0.00 C ATOM 832 SG CYS A 50 2.289 -8.117 -0.596 1.00 0.00 S ATOM 0 H CYS A 50 4.869 -10.539 -1.451 1.00 0.00 H new ATOM 0 HA CYS A 50 2.125 -10.502 -1.793 1.00 0.00 H new ATOM 0 HB2 CYS A 50 4.316 -8.577 -1.788 1.00 0.00 H new ATOM 0 HB3 CYS A 50 3.028 -8.095 -2.875 1.00 0.00 H new ATOM 0 HG CYS A 50 2.571 -6.868 -0.372 1.00 0.00 H new ATOM 838 N SER A 51 3.600 -9.880 -4.698 1.00 0.00 N ATOM 839 CA SER A 51 3.460 -9.994 -6.153 1.00 0.00 C ATOM 840 C SER A 51 2.511 -8.959 -6.751 1.00 0.00 C ATOM 841 O SER A 51 2.940 -8.078 -7.509 1.00 0.00 O ATOM 842 CB SER A 51 3.010 -11.407 -6.547 1.00 0.00 C ATOM 843 OG SER A 51 1.597 -11.506 -6.602 1.00 0.00 O ATOM 0 H SER A 51 4.454 -9.404 -4.407 1.00 0.00 H new ATOM 0 HA SER A 51 4.448 -9.795 -6.568 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.432 -11.667 -7.518 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.399 -12.128 -5.827 1.00 0.00 H new ATOM 0 HG SER A 51 1.244 -11.652 -5.699 1.00 0.00 H new ATOM 849 N ALA A 52 1.241 -9.026 -6.390 1.00 0.00 N ATOM 850 CA ALA A 52 0.277 -8.069 -6.903 1.00 0.00 C ATOM 851 C ALA A 52 0.515 -6.718 -6.271 1.00 0.00 C ATOM 852 O ALA A 52 0.570 -5.691 -6.948 1.00 0.00 O ATOM 853 CB ALA A 52 -1.145 -8.543 -6.637 1.00 0.00 C ATOM 0 H ALA A 52 0.857 -9.723 -5.752 1.00 0.00 H new ATOM 0 HA ALA A 52 0.405 -7.982 -7.982 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -1.852 -7.812 -7.029 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -1.306 -9.503 -7.128 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.297 -8.654 -5.563 1.00 0.00 H new ATOM 859 N VAL A 53 0.634 -6.736 -4.959 1.00 0.00 N ATOM 860 CA VAL A 53 0.844 -5.529 -4.194 1.00 0.00 C ATOM 861 C VAL A 53 2.103 -4.799 -4.619 1.00 0.00 C ATOM 862 O VAL A 53 2.077 -3.597 -4.902 1.00 0.00 O ATOM 863 CB VAL A 53 0.947 -5.845 -2.689 1.00 0.00 C ATOM 864 CG1 VAL A 53 1.235 -4.590 -1.876 1.00 0.00 C ATOM 865 CG2 VAL A 53 -0.312 -6.539 -2.198 1.00 0.00 C ATOM 0 H VAL A 53 0.588 -7.586 -4.397 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.017 -4.889 -4.385 1.00 0.00 H new ATOM 0 HB VAL A 53 1.787 -6.525 -2.547 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.301 -4.848 -0.819 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.179 -4.153 -2.203 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.431 -3.869 -2.023 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -0.218 -6.753 -1.133 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -1.173 -5.891 -2.363 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -0.450 -7.472 -2.745 1.00 0.00 H new ATOM 875 N LEU A 54 3.211 -5.520 -4.652 1.00 0.00 N ATOM 876 CA LEU A 54 4.467 -4.915 -5.031 1.00 0.00 C ATOM 877 C LEU A 54 4.380 -4.368 -6.430 1.00 0.00 C ATOM 878 O LEU A 54 4.880 -3.289 -6.703 1.00 0.00 O ATOM 879 CB LEU A 54 5.618 -5.920 -4.954 1.00 0.00 C ATOM 880 CG LEU A 54 5.741 -6.706 -3.648 1.00 0.00 C ATOM 881 CD1 LEU A 54 7.032 -7.514 -3.644 1.00 0.00 C ATOM 882 CD2 LEU A 54 5.692 -5.771 -2.442 1.00 0.00 C ATOM 0 H LEU A 54 3.263 -6.513 -4.423 1.00 0.00 H new ATOM 0 HA LEU A 54 4.666 -4.105 -4.329 1.00 0.00 H new ATOM 0 HB2 LEU A 54 5.508 -6.631 -5.773 1.00 0.00 H new ATOM 0 HB3 LEU A 54 6.552 -5.384 -5.121 1.00 0.00 H new ATOM 0 HG LEU A 54 4.896 -7.391 -3.577 1.00 0.00 H new ATOM 0 HD11 LEU A 54 7.110 -8.070 -2.710 1.00 0.00 H new ATOM 0 HD12 LEU A 54 7.028 -8.211 -4.482 1.00 0.00 H new ATOM 0 HD13 LEU A 54 7.883 -6.840 -3.737 1.00 0.00 H new ATOM 0 HD21 LEU A 54 5.781 -6.354 -1.526 1.00 0.00 H new ATOM 0 HD22 LEU A 54 6.515 -5.058 -2.500 1.00 0.00 H new ATOM 0 HD23 LEU A 54 4.745 -5.232 -2.438 1.00 0.00 H new ATOM 894 N ALA A 55 3.767 -5.125 -7.323 1.00 0.00 N ATOM 895 CA ALA A 55 3.661 -4.692 -8.702 1.00 0.00 C ATOM 896 C ALA A 55 2.877 -3.389 -8.872 1.00 0.00 C ATOM 897 O ALA A 55 3.280 -2.531 -9.688 1.00 0.00 O ATOM 898 CB ALA A 55 3.050 -5.794 -9.553 1.00 0.00 C ATOM 0 H ALA A 55 3.341 -6.030 -7.121 1.00 0.00 H new ATOM 0 HA ALA A 55 4.676 -4.484 -9.041 1.00 0.00 H new ATOM 0 HB1 ALA A 55 2.976 -5.456 -10.587 1.00 0.00 H new ATOM 0 HB2 ALA A 55 3.680 -6.682 -9.506 1.00 0.00 H new ATOM 0 HB3 ALA A 55 2.055 -6.035 -9.177 1.00 0.00 H new ATOM 904 N GLU A 56 1.767 -3.189 -8.130 1.00 0.00 N ATOM 905 CA GLU A 56 1.031 -1.964 -8.325 1.00 0.00 C ATOM 906 C GLU A 56 1.870 -0.829 -7.786 1.00 0.00 C ATOM 907 O GLU A 56 1.916 0.246 -8.363 1.00 0.00 O ATOM 908 CB GLU A 56 -0.340 -1.991 -7.640 1.00 0.00 C ATOM 909 CG GLU A 56 -0.439 -1.079 -6.439 1.00 0.00 C ATOM 910 CD GLU A 56 -1.873 -0.868 -5.982 1.00 0.00 C ATOM 911 OE1 GLU A 56 -2.794 -1.339 -6.682 1.00 0.00 O ATOM 912 OE2 GLU A 56 -2.072 -0.232 -4.926 1.00 0.00 O ATOM 0 H GLU A 56 1.392 -3.832 -7.433 1.00 0.00 H new ATOM 0 HA GLU A 56 0.837 -1.833 -9.390 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -1.103 -1.707 -8.364 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -0.560 -3.012 -7.329 1.00 0.00 H new ATOM 0 HG2 GLU A 56 0.142 -1.501 -5.618 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.007 -0.114 -6.682 1.00 0.00 H new ATOM 919 N TRP A 57 2.527 -1.080 -6.656 1.00 0.00 N ATOM 920 CA TRP A 57 3.349 -0.061 -6.039 1.00 0.00 C ATOM 921 C TRP A 57 4.465 0.391 -6.974 1.00 0.00 C ATOM 922 O TRP A 57 4.559 1.571 -7.301 1.00 0.00 O ATOM 923 CB TRP A 57 3.926 -0.556 -4.717 1.00 0.00 C ATOM 924 CG TRP A 57 4.543 0.553 -3.943 1.00 0.00 C ATOM 925 CD1 TRP A 57 5.830 0.642 -3.526 1.00 0.00 C ATOM 926 CD2 TRP A 57 3.896 1.760 -3.534 1.00 0.00 C ATOM 927 NE1 TRP A 57 6.030 1.831 -2.891 1.00 0.00 N ATOM 928 CE2 TRP A 57 4.856 2.539 -2.882 1.00 0.00 C ATOM 929 CE3 TRP A 57 2.597 2.254 -3.663 1.00 0.00 C ATOM 930 CZ2 TRP A 57 4.561 3.794 -2.359 1.00 0.00 C ATOM 931 CZ3 TRP A 57 2.305 3.497 -3.143 1.00 0.00 C ATOM 932 CH2 TRP A 57 3.286 4.257 -2.500 1.00 0.00 C ATOM 0 H TRP A 57 2.503 -1.971 -6.160 1.00 0.00 H new ATOM 0 HA TRP A 57 2.711 0.799 -5.836 1.00 0.00 H new ATOM 0 HB2 TRP A 57 3.137 -1.019 -4.125 1.00 0.00 H new ATOM 0 HB3 TRP A 57 4.673 -1.326 -4.910 1.00 0.00 H new ATOM 0 HD1 TRP A 57 6.584 -0.116 -3.675 1.00 0.00 H new ATOM 0 HE1 TRP A 57 6.913 2.144 -2.487 1.00 0.00 H new ATOM 0 HE3 TRP A 57 1.835 1.673 -4.161 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 5.316 4.382 -1.858 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 1.303 3.889 -3.234 1.00 0.00 H new ATOM 0 HH2 TRP A 57 3.029 5.230 -2.107 1.00 0.00 H new ATOM 943 N LYS A 58 5.309 -0.543 -7.412 1.00 0.00 N ATOM 944 CA LYS A 58 6.411 -0.195 -8.310 1.00 0.00 C ATOM 945 C LYS A 58 5.907 0.628 -9.486 1.00 0.00 C ATOM 946 O LYS A 58 6.437 1.701 -9.772 1.00 0.00 O ATOM 947 CB LYS A 58 7.172 -1.415 -8.828 1.00 0.00 C ATOM 948 CG LYS A 58 6.388 -2.687 -8.791 1.00 0.00 C ATOM 949 CD LYS A 58 6.780 -3.621 -9.929 1.00 0.00 C ATOM 950 CE LYS A 58 6.558 -2.973 -11.288 1.00 0.00 C ATOM 951 NZ LYS A 58 7.811 -2.375 -11.830 1.00 0.00 N ATOM 0 H LYS A 58 5.254 -1.531 -7.165 1.00 0.00 H new ATOM 0 HA LYS A 58 7.109 0.395 -7.716 1.00 0.00 H new ATOM 0 HB2 LYS A 58 7.486 -1.225 -9.854 1.00 0.00 H new ATOM 0 HB3 LYS A 58 8.078 -1.542 -8.236 1.00 0.00 H new ATOM 0 HG2 LYS A 58 6.550 -3.188 -7.836 1.00 0.00 H new ATOM 0 HG3 LYS A 58 5.324 -2.461 -8.855 1.00 0.00 H new ATOM 0 HD2 LYS A 58 7.828 -3.901 -9.826 1.00 0.00 H new ATOM 0 HD3 LYS A 58 6.197 -4.540 -9.864 1.00 0.00 H new ATOM 0 HE2 LYS A 58 6.179 -3.718 -11.988 1.00 0.00 H new ATOM 0 HE3 LYS A 58 5.795 -2.200 -11.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 7.709 -1.341 -11.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 8.608 -2.615 -11.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 7.991 -2.751 -12.783 1.00 0.00 H new ATOM 965 N ARG A 59 4.881 0.127 -10.176 1.00 0.00 N ATOM 966 CA ARG A 59 4.338 0.852 -11.319 1.00 0.00 C ATOM 967 C ARG A 59 3.811 2.228 -10.901 1.00 0.00 C ATOM 968 O ARG A 59 3.783 3.164 -11.700 1.00 0.00 O ATOM 969 CB ARG A 59 3.229 0.034 -11.978 1.00 0.00 C ATOM 970 CG ARG A 59 3.753 -1.154 -12.770 1.00 0.00 C ATOM 971 CD ARG A 59 3.149 -1.216 -14.163 1.00 0.00 C ATOM 972 NE ARG A 59 3.394 0.007 -14.925 1.00 0.00 N ATOM 973 CZ ARG A 59 3.377 0.073 -16.256 1.00 0.00 C ATOM 974 NH1 ARG A 59 3.137 -1.012 -16.983 1.00 0.00 N ATOM 975 NH2 ARG A 59 3.602 1.230 -16.864 1.00 0.00 N ATOM 0 H ARG A 59 4.420 -0.759 -9.968 1.00 0.00 H new ATOM 0 HA ARG A 59 5.142 1.007 -12.039 1.00 0.00 H new ATOM 0 HB2 ARG A 59 2.544 -0.323 -11.209 1.00 0.00 H new ATOM 0 HB3 ARG A 59 2.655 0.680 -12.642 1.00 0.00 H new ATOM 0 HG2 ARG A 59 4.838 -1.089 -12.847 1.00 0.00 H new ATOM 0 HG3 ARG A 59 3.526 -2.076 -12.234 1.00 0.00 H new ATOM 0 HD2 ARG A 59 3.567 -2.067 -14.701 1.00 0.00 H new ATOM 0 HD3 ARG A 59 2.075 -1.384 -14.084 1.00 0.00 H new ATOM 0 HE ARG A 59 3.590 0.863 -14.406 1.00 0.00 H new ATOM 0 HH11 ARG A 59 2.964 -1.906 -16.523 1.00 0.00 H new ATOM 0 HH12 ARG A 59 3.126 -0.952 -18.001 1.00 0.00 H new ATOM 0 HH21 ARG A 59 3.788 2.068 -16.313 1.00 0.00 H new ATOM 0 HH22 ARG A 59 3.589 1.282 -17.883 1.00 0.00 H new ATOM 989 N ARG A 60 3.380 2.330 -9.647 1.00 0.00 N ATOM 990 CA ARG A 60 2.817 3.568 -9.101 1.00 0.00 C ATOM 991 C ARG A 60 3.884 4.497 -8.514 1.00 0.00 C ATOM 992 O ARG A 60 3.691 5.710 -8.446 1.00 0.00 O ATOM 993 CB ARG A 60 1.772 3.224 -8.033 1.00 0.00 C ATOM 994 CG ARG A 60 0.409 2.815 -8.591 1.00 0.00 C ATOM 995 CD ARG A 60 -0.004 3.655 -9.791 1.00 0.00 C ATOM 996 NE ARG A 60 0.309 2.991 -11.057 1.00 0.00 N ATOM 997 CZ ARG A 60 -0.606 2.535 -11.916 1.00 0.00 C ATOM 998 NH1 ARG A 60 -1.902 2.683 -11.669 1.00 0.00 N ATOM 999 NH2 ARG A 60 -0.219 1.929 -13.031 1.00 0.00 N ATOM 0 H ARG A 60 3.410 1.560 -8.979 1.00 0.00 H new ATOM 0 HA ARG A 60 2.351 4.107 -9.926 1.00 0.00 H new ATOM 0 HB2 ARG A 60 2.156 2.413 -7.415 1.00 0.00 H new ATOM 0 HB3 ARG A 60 1.640 4.087 -7.380 1.00 0.00 H new ATOM 0 HG2 ARG A 60 0.438 1.764 -8.880 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -0.344 2.910 -7.809 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -1.074 3.856 -9.742 1.00 0.00 H new ATOM 0 HD3 ARG A 60 0.504 4.619 -9.751 1.00 0.00 H new ATOM 0 HE ARG A 60 1.292 2.868 -11.300 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -2.208 3.149 -10.815 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -2.591 2.330 -12.333 1.00 0.00 H new ATOM 0 HH21 ARG A 60 0.775 1.813 -13.230 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -0.915 1.579 -13.689 1.00 0.00 H new ATOM 1013 N LYS A 61 4.994 3.923 -8.074 1.00 0.00 N ATOM 1014 CA LYS A 61 6.095 4.694 -7.490 1.00 0.00 C ATOM 1015 C LYS A 61 6.536 5.841 -8.407 1.00 0.00 C ATOM 1016 O LYS A 61 7.177 6.794 -7.962 1.00 0.00 O ATOM 1017 CB LYS A 61 7.282 3.776 -7.192 1.00 0.00 C ATOM 1018 CG LYS A 61 7.536 3.585 -5.709 1.00 0.00 C ATOM 1019 CD LYS A 61 9.019 3.649 -5.380 1.00 0.00 C ATOM 1020 CE LYS A 61 9.440 5.057 -4.994 1.00 0.00 C ATOM 1021 NZ LYS A 61 10.540 5.051 -3.992 1.00 0.00 N ATOM 0 H LYS A 61 5.162 2.918 -8.109 1.00 0.00 H new ATOM 0 HA LYS A 61 5.733 5.133 -6.560 1.00 0.00 H new ATOM 0 HB2 LYS A 61 7.104 2.804 -7.651 1.00 0.00 H new ATOM 0 HB3 LYS A 61 8.177 4.189 -7.657 1.00 0.00 H new ATOM 0 HG2 LYS A 61 7.005 4.353 -5.147 1.00 0.00 H new ATOM 0 HG3 LYS A 61 7.134 2.623 -5.392 1.00 0.00 H new ATOM 0 HD2 LYS A 61 9.242 2.964 -4.562 1.00 0.00 H new ATOM 0 HD3 LYS A 61 9.599 3.317 -6.241 1.00 0.00 H new ATOM 0 HE2 LYS A 61 9.763 5.597 -5.884 1.00 0.00 H new ATOM 0 HE3 LYS A 61 8.583 5.594 -4.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 10.799 6.030 -3.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 10.224 4.558 -3.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 11.367 4.561 -4.388 1.00 0.00 H new ATOM 1035 N ARG A 62 6.182 5.739 -9.682 1.00 0.00 N ATOM 1036 CA ARG A 62 6.533 6.764 -10.663 1.00 0.00 C ATOM 1037 C ARG A 62 5.479 7.865 -10.714 1.00 0.00 C ATOM 1038 O ARG A 62 5.782 9.035 -10.948 1.00 0.00 O ATOM 1039 CB ARG A 62 6.700 6.140 -12.050 1.00 0.00 C ATOM 1040 CG ARG A 62 7.895 5.207 -12.165 1.00 0.00 C ATOM 1041 CD ARG A 62 8.264 4.959 -13.619 1.00 0.00 C ATOM 1042 NE ARG A 62 9.286 3.923 -13.758 1.00 0.00 N ATOM 1043 CZ ARG A 62 9.514 3.255 -14.888 1.00 0.00 C ATOM 1044 NH1 ARG A 62 8.803 3.515 -15.978 1.00 0.00 N ATOM 1045 NH2 ARG A 62 10.460 2.325 -14.927 1.00 0.00 N ATOM 0 H ARG A 62 5.651 4.956 -10.064 1.00 0.00 H new ATOM 0 HA ARG A 62 7.479 7.209 -10.354 1.00 0.00 H new ATOM 0 HB2 ARG A 62 5.794 5.587 -12.301 1.00 0.00 H new ATOM 0 HB3 ARG A 62 6.801 6.937 -12.787 1.00 0.00 H new ATOM 0 HG2 ARG A 62 8.747 5.638 -11.640 1.00 0.00 H new ATOM 0 HG3 ARG A 62 7.667 4.259 -11.679 1.00 0.00 H new ATOM 0 HD2 ARG A 62 7.373 4.665 -14.174 1.00 0.00 H new ATOM 0 HD3 ARG A 62 8.625 5.886 -14.064 1.00 0.00 H new ATOM 0 HE ARG A 62 9.857 3.699 -12.943 1.00 0.00 H new ATOM 0 HH11 ARG A 62 8.076 4.230 -15.954 1.00 0.00 H new ATOM 0 HH12 ARG A 62 8.983 2.999 -16.839 1.00 0.00 H new ATOM 0 HH21 ARG A 62 11.011 2.123 -14.093 1.00 0.00 H new ATOM 0 HH22 ARG A 62 10.636 1.813 -15.791 1.00 0.00 H new ATOM 1059 N ARG A 63 4.241 7.454 -10.542 1.00 0.00 N ATOM 1060 CA ARG A 63 3.098 8.364 -10.604 1.00 0.00 C ATOM 1061 C ARG A 63 3.132 9.444 -9.517 1.00 0.00 C ATOM 1062 O ARG A 63 3.219 10.633 -9.822 1.00 0.00 O ATOM 1063 CB ARG A 63 1.791 7.572 -10.517 1.00 0.00 C ATOM 1064 CG ARG A 63 1.113 7.397 -11.865 1.00 0.00 C ATOM 1065 CD ARG A 63 -0.225 6.687 -11.741 1.00 0.00 C ATOM 1066 NE ARG A 63 -0.747 6.293 -13.047 1.00 0.00 N ATOM 1067 CZ ARG A 63 -1.547 7.054 -13.790 1.00 0.00 C ATOM 1068 NH1 ARG A 63 -1.956 8.239 -13.348 1.00 0.00 N ATOM 1069 NH2 ARG A 63 -1.943 6.630 -14.983 1.00 0.00 N ATOM 0 H ARG A 63 3.990 6.483 -10.355 1.00 0.00 H new ATOM 0 HA ARG A 63 3.157 8.880 -11.562 1.00 0.00 H new ATOM 0 HB2 ARG A 63 1.995 6.591 -10.089 1.00 0.00 H new ATOM 0 HB3 ARG A 63 1.109 8.081 -9.836 1.00 0.00 H new ATOM 0 HG2 ARG A 63 0.964 8.374 -12.325 1.00 0.00 H new ATOM 0 HG3 ARG A 63 1.765 6.828 -12.528 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -0.112 5.804 -11.112 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -0.941 7.342 -11.245 1.00 0.00 H new ATOM 0 HE ARG A 63 -0.482 5.378 -13.412 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -1.657 8.573 -12.432 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -2.569 8.815 -13.925 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -1.634 5.722 -15.330 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -2.556 7.212 -15.553 1.00 0.00 H new ATOM 1083 N LEU A 64 3.044 9.032 -8.257 1.00 0.00 N ATOM 1084 CA LEU A 64 3.046 9.975 -7.145 1.00 0.00 C ATOM 1085 C LEU A 64 4.458 10.330 -6.678 1.00 0.00 C ATOM 1086 O LEU A 64 5.428 9.652 -7.017 1.00 0.00 O ATOM 1087 CB LEU A 64 2.211 9.431 -5.985 1.00 0.00 C ATOM 1088 CG LEU A 64 2.478 7.982 -5.566 1.00 0.00 C ATOM 1089 CD1 LEU A 64 1.504 7.045 -6.263 1.00 0.00 C ATOM 1090 CD2 LEU A 64 3.914 7.582 -5.862 1.00 0.00 C ATOM 0 H LEU A 64 2.971 8.053 -7.981 1.00 0.00 H new ATOM 0 HA LEU A 64 2.595 10.899 -7.506 1.00 0.00 H new ATOM 0 HB2 LEU A 64 2.374 10.072 -5.118 1.00 0.00 H new ATOM 0 HB3 LEU A 64 1.158 9.519 -6.253 1.00 0.00 H new ATOM 0 HG LEU A 64 2.327 7.905 -4.489 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.704 6.018 -5.957 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.483 7.312 -5.990 1.00 0.00 H new ATOM 0 HD13 LEU A 64 1.625 7.132 -7.343 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.075 6.549 -5.554 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.105 7.676 -6.931 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.594 8.234 -5.313 1.00 0.00 H new ATOM 1102 N LYS A 65 4.555 11.412 -5.901 1.00 0.00 N ATOM 1103 CA LYS A 65 5.835 11.894 -5.380 1.00 0.00 C ATOM 1104 C LYS A 65 6.887 11.962 -6.484 1.00 0.00 C ATOM 1105 O LYS A 65 7.528 10.963 -6.810 1.00 0.00 O ATOM 1106 CB LYS A 65 6.330 11.009 -4.230 1.00 0.00 C ATOM 1107 CG LYS A 65 6.116 11.624 -2.854 1.00 0.00 C ATOM 1108 CD LYS A 65 4.653 11.960 -2.610 1.00 0.00 C ATOM 1109 CE LYS A 65 3.863 10.734 -2.186 1.00 0.00 C ATOM 1110 NZ LYS A 65 2.508 11.091 -1.682 1.00 0.00 N ATOM 0 H LYS A 65 3.753 11.975 -5.617 1.00 0.00 H new ATOM 0 HA LYS A 65 5.674 12.901 -4.995 1.00 0.00 H new ATOM 0 HB2 LYS A 65 5.816 10.049 -4.274 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.392 10.808 -4.368 1.00 0.00 H new ATOM 0 HG2 LYS A 65 6.463 10.931 -2.088 1.00 0.00 H new ATOM 0 HG3 LYS A 65 6.717 12.528 -2.762 1.00 0.00 H new ATOM 0 HD2 LYS A 65 4.579 12.727 -1.839 1.00 0.00 H new ATOM 0 HD3 LYS A 65 4.218 12.378 -3.518 1.00 0.00 H new ATOM 0 HE2 LYS A 65 3.768 10.054 -3.032 1.00 0.00 H new ATOM 0 HE3 LYS A 65 4.410 10.201 -1.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 2.002 10.226 -1.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 2.598 11.720 -0.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 1.976 11.577 -2.432 1.00 0.00 H new ATOM 1124 N GLY A 66 7.050 13.148 -7.056 1.00 0.00 N ATOM 1125 CA GLY A 66 8.014 13.336 -8.122 1.00 0.00 C ATOM 1126 C GLY A 66 7.345 13.578 -9.458 1.00 0.00 C ATOM 1127 O GLY A 66 7.854 13.170 -10.501 1.00 0.00 O ATOM 0 H GLY A 66 6.529 13.986 -6.799 1.00 0.00 H new ATOM 0 HA2 GLY A 66 8.659 14.181 -7.882 1.00 0.00 H new ATOM 0 HA3 GLY A 66 8.654 12.456 -8.191 1.00 0.00 H new ATOM 1131 N SER A 67 6.195 14.246 -9.423 1.00 0.00 N ATOM 1132 CA SER A 67 5.442 14.548 -10.636 1.00 0.00 C ATOM 1133 C SER A 67 4.835 15.947 -10.561 1.00 0.00 C ATOM 1134 O SER A 67 3.835 16.162 -9.875 1.00 0.00 O ATOM 1135 CB SER A 67 4.339 13.510 -10.845 1.00 0.00 C ATOM 1136 OG SER A 67 3.349 13.608 -9.835 1.00 0.00 O ATOM 0 H SER A 67 5.764 14.589 -8.565 1.00 0.00 H new ATOM 0 HA SER A 67 6.128 14.513 -11.482 1.00 0.00 H new ATOM 0 HB2 SER A 67 3.880 13.654 -11.823 1.00 0.00 H new ATOM 0 HB3 SER A 67 4.771 12.509 -10.839 1.00 0.00 H new ATOM 0 HG SER A 67 3.314 14.528 -9.499 1.00 0.00 H new ATOM 1142 N ASN A 68 5.450 16.891 -11.273 1.00 0.00 N ATOM 1143 CA ASN A 68 4.989 18.281 -11.303 1.00 0.00 C ATOM 1144 C ASN A 68 5.518 19.072 -10.107 1.00 0.00 C ATOM 1145 O ASN A 68 5.915 20.227 -10.247 1.00 0.00 O ATOM 1146 CB ASN A 68 3.457 18.356 -11.352 1.00 0.00 C ATOM 1147 CG ASN A 68 2.959 19.326 -12.407 1.00 0.00 C ATOM 1148 OD1 ASN A 68 1.954 19.073 -13.073 1.00 0.00 O ATOM 1149 ND2 ASN A 68 3.658 20.445 -12.564 1.00 0.00 N ATOM 0 H ASN A 68 6.278 16.716 -11.843 1.00 0.00 H new ATOM 0 HA ASN A 68 5.387 18.732 -12.212 1.00 0.00 H new ATOM 0 HB2 ASN A 68 3.054 17.364 -11.555 1.00 0.00 H new ATOM 0 HB3 ASN A 68 3.079 18.660 -10.376 1.00 0.00 H new ATOM 0 HD21 ASN A 68 3.368 21.134 -13.258 1.00 0.00 H new ATOM 0 HD22 ASN A 68 4.485 20.615 -11.991 1.00 0.00 H new ATOM 1156 N SER A 69 5.522 18.448 -8.932 1.00 0.00 N ATOM 1157 CA SER A 69 6.005 19.106 -7.721 1.00 0.00 C ATOM 1158 C SER A 69 7.437 18.684 -7.407 1.00 0.00 C ATOM 1159 O SER A 69 8.150 19.462 -6.739 1.00 0.00 O ATOM 1160 CB SER A 69 5.094 18.773 -6.537 1.00 0.00 C ATOM 1161 OG SER A 69 3.841 19.423 -6.662 1.00 0.00 O ATOM 1162 OXT SER A 69 7.835 17.578 -7.831 1.00 0.00 O ATOM 0 H SER A 69 5.198 17.491 -8.793 1.00 0.00 H new ATOM 0 HA SER A 69 5.990 20.182 -7.892 1.00 0.00 H new ATOM 0 HB2 SER A 69 4.944 17.695 -6.481 1.00 0.00 H new ATOM 0 HB3 SER A 69 5.574 19.077 -5.607 1.00 0.00 H new ATOM 0 HG SER A 69 3.276 19.194 -5.895 1.00 0.00 H new TER 1168 SER A 69