USER MOD reduce.3.24.130724 H: found=0, std=0, add=848, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 842 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: 1 11 CYS SG : rot -113:sc= -19.2! USER MOD Set 1.2: 1 32 ASN : amide:sc= -2.97! K(o=-34!,f=-32) USER MOD Set 1.3: 1 37 CYS SG : rot 151:sc= -11.6! USER MOD Single : 1 1 GLU N :NH3+ -169:sc= -0.675 (180deg=-0.785) USER MOD Single : 1 3 TYR OH : rot 180:sc= 0 USER MOD Single : 1 7 SER OG : rot 137:sc= 0.626 USER MOD Single : 1 9 ASN : amide:sc= 0.0841 X(o=0.084,f=0) USER MOD Single : 1 10 GLN : amide:sc= -8.2! C(o=-8.2!,f=-5.3!) USER MOD Single : 1 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 23 TYR OH : rot 80:sc= -0.495 USER MOD Single : 1 25 HIS : no HD1:sc= -0.0477 X(o=-0.048,f=-0.0058) USER MOD Single : 1 27 THR OG1 : rot 180:sc= 0 USER MOD Single : 1 29 LYS NZ :NH3+ 169:sc= 0.168 (180deg=0.138) USER MOD Single : 1 33 ASN : amide:sc= -0.0376 K(o=-0.038,f=-1.4!) USER MOD Single : 1 40 SER OG : rot -45:sc= -0.339 USER MOD Single : 1 50 LYS NZ :NH3+ 174:sc= -1.7 (180deg=-1.87) USER MOD Single : 1 53 GLN : amide:sc= -8.95! C(o=-8.9!,f=-16!) USER MOD Single : 1 58 THR OG1 : rot -160:sc= -0.448 USER MOD Single : 2 1 GLU N :NH3+ 153:sc= 0.00971 (180deg=0) USER MOD Single : 2 3 TYR OH : rot 180:sc= 0 USER MOD Single : 2 7 SER OG : rot 126:sc= 0.246 USER MOD Single : 2 9 ASN : amide:sc= -1.63 K(o=-1.6,f=-0.44) USER MOD Single : 2 10 GLN : amide:sc= -10.5! C(o=-11!,f=-6.3!) USER MOD Single : 2 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 2 23 TYR OH : rot 30:sc= -1.31 USER MOD Single : 2 25 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : 2 27 THR OG1 : rot 59:sc= 0.152 USER MOD Single : 2 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 2 32 ASN : amide:sc= -1.9 K(o=-1.9,f=-0.4) USER MOD Single : 2 33 ASN : amide:sc= -0.0448 X(o=-0.045,f=-0.069) USER MOD Single : 2 40 SER OG : rot 111:sc= 0.221 USER MOD Single : 2 50 LYS NZ :NH3+ -113:sc= 0.633 (180deg=-1.46!) USER MOD Single : 2 53 GLN : amide:sc= -15.4! C(o=-15!,f=-23!) USER MOD Single : 2 58 THR OG1 : rot -31:sc= -1.27 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU 1 1 -14.193 -14.847 -0.262 1.00 0.00 N ATOM 2 CA GLU 1 1 -13.480 -15.141 -1.493 1.00 0.00 C ATOM 3 C GLU 1 1 -12.898 -13.858 -2.088 1.00 0.00 C ATOM 4 O GLU 1 1 -11.756 -13.844 -2.547 1.00 0.00 O ATOM 5 CB GLU 1 1 -14.390 -15.849 -2.499 1.00 0.00 C ATOM 6 CG GLU 1 1 -13.648 -16.983 -3.207 1.00 0.00 C ATOM 7 CD GLU 1 1 -14.465 -17.524 -4.383 1.00 0.00 C ATOM 8 OE1 GLU 1 1 -15.177 -16.704 -5.002 1.00 0.00 O ATOM 9 OE2 GLU 1 1 -14.356 -18.743 -4.636 1.00 0.00 O ATOM 0 H1 GLU 1 1 -14.422 -15.736 0.227 1.00 0.00 H new ATOM 0 H2 GLU 1 1 -13.596 -14.257 0.352 1.00 0.00 H new ATOM 0 H3 GLU 1 1 -15.072 -14.338 -0.483 1.00 0.00 H new ATOM 0 HA GLU 1 1 -12.657 -15.817 -1.261 1.00 0.00 H new ATOM 0 HB2 GLU 1 1 -15.265 -16.247 -1.985 1.00 0.00 H new ATOM 0 HB3 GLU 1 1 -14.752 -15.131 -3.235 1.00 0.00 H new ATOM 0 HG2 GLU 1 1 -12.683 -16.623 -3.565 1.00 0.00 H new ATOM 0 HG3 GLU 1 1 -13.446 -17.787 -2.500 1.00 0.00 H new ATOM 16 N GLU 1 2 -13.708 -12.810 -2.062 1.00 0.00 N ATOM 17 CA GLU 1 2 -13.288 -11.525 -2.594 1.00 0.00 C ATOM 18 C GLU 1 2 -12.599 -10.699 -1.505 1.00 0.00 C ATOM 19 O GLU 1 2 -11.780 -9.832 -1.804 1.00 0.00 O ATOM 20 CB GLU 1 2 -14.474 -10.764 -3.191 1.00 0.00 C ATOM 21 CG GLU 1 2 -14.650 -11.099 -4.674 1.00 0.00 C ATOM 22 CD GLU 1 2 -15.249 -9.916 -5.436 1.00 0.00 C ATOM 23 OE1 GLU 1 2 -14.546 -8.887 -5.532 1.00 0.00 O ATOM 24 OE2 GLU 1 2 -16.398 -10.067 -5.904 1.00 0.00 O ATOM 0 H GLU 1 2 -14.654 -12.825 -1.680 1.00 0.00 H new ATOM 0 HA GLU 1 2 -12.572 -11.703 -3.396 1.00 0.00 H new ATOM 0 HB2 GLU 1 2 -15.384 -11.017 -2.647 1.00 0.00 H new ATOM 0 HB3 GLU 1 2 -14.319 -9.692 -3.073 1.00 0.00 H new ATOM 0 HG2 GLU 1 2 -13.686 -11.365 -5.107 1.00 0.00 H new ATOM 0 HG3 GLU 1 2 -15.297 -11.969 -4.779 1.00 0.00 H new ATOM 31 N TYR 1 3 -12.956 -10.999 -0.265 1.00 0.00 N ATOM 32 CA TYR 1 3 -12.383 -10.296 0.870 1.00 0.00 C ATOM 33 C TYR 1 3 -11.160 -11.037 1.413 1.00 0.00 C ATOM 34 O TYR 1 3 -11.198 -11.578 2.518 1.00 0.00 O ATOM 35 CB TYR 1 3 -13.471 -10.274 1.945 1.00 0.00 C ATOM 36 CG TYR 1 3 -14.306 -11.554 2.012 1.00 0.00 C ATOM 37 CD1 TYR 1 3 -13.881 -12.615 2.787 1.00 0.00 C ATOM 38 CD2 TYR 1 3 -15.483 -11.647 1.299 1.00 0.00 C ATOM 39 CE1 TYR 1 3 -14.667 -13.819 2.850 1.00 0.00 C ATOM 40 CE2 TYR 1 3 -16.270 -12.852 1.363 1.00 0.00 C ATOM 41 CZ TYR 1 3 -15.823 -13.879 2.135 1.00 0.00 C ATOM 42 OH TYR 1 3 -16.565 -15.017 2.195 1.00 0.00 O ATOM 0 H TYR 1 3 -13.635 -11.720 -0.021 1.00 0.00 H new ATOM 0 HA TYR 1 3 -12.062 -9.296 0.580 1.00 0.00 H new ATOM 0 HB2 TYR 1 3 -13.005 -10.105 2.916 1.00 0.00 H new ATOM 0 HB3 TYR 1 3 -14.134 -9.429 1.759 1.00 0.00 H new ATOM 0 HD1 TYR 1 3 -12.960 -12.541 3.345 1.00 0.00 H new ATOM 0 HD2 TYR 1 3 -15.815 -10.817 0.693 1.00 0.00 H new ATOM 0 HE1 TYR 1 3 -14.346 -14.657 3.452 1.00 0.00 H new ATOM 0 HE2 TYR 1 3 -17.194 -12.938 0.811 1.00 0.00 H new ATOM 0 HH TYR 1 3 -17.364 -14.917 1.636 1.00 0.00 H new ATOM 52 N VAL 1 4 -10.104 -11.040 0.612 1.00 0.00 N ATOM 53 CA VAL 1 4 -8.872 -11.706 0.999 1.00 0.00 C ATOM 54 C VAL 1 4 -7.695 -10.752 0.789 1.00 0.00 C ATOM 55 O VAL 1 4 -6.883 -10.555 1.691 1.00 0.00 O ATOM 56 CB VAL 1 4 -8.724 -13.019 0.229 1.00 0.00 C ATOM 57 CG1 VAL 1 4 -7.336 -13.625 0.442 1.00 0.00 C ATOM 58 CG2 VAL 1 4 -9.822 -14.011 0.618 1.00 0.00 C ATOM 0 H VAL 1 4 -10.077 -10.591 -0.304 1.00 0.00 H new ATOM 0 HA VAL 1 4 -8.893 -11.967 2.057 1.00 0.00 H new ATOM 0 HB VAL 1 4 -8.834 -12.799 -0.833 1.00 0.00 H new ATOM 0 HG11 VAL 1 4 -7.257 -14.558 -0.116 1.00 0.00 H new ATOM 0 HG12 VAL 1 4 -6.576 -12.927 0.091 1.00 0.00 H new ATOM 0 HG13 VAL 1 4 -7.184 -13.823 1.503 1.00 0.00 H new ATOM 0 HG21 VAL 1 4 -9.693 -14.936 0.056 1.00 0.00 H new ATOM 0 HG22 VAL 1 4 -9.759 -14.223 1.685 1.00 0.00 H new ATOM 0 HG23 VAL 1 4 -10.798 -13.581 0.391 1.00 0.00 H new ATOM 68 N GLY 1 5 -7.639 -10.187 -0.407 1.00 0.00 N ATOM 69 CA GLY 1 5 -6.574 -9.258 -0.748 1.00 0.00 C ATOM 70 C GLY 1 5 -6.705 -7.957 0.045 1.00 0.00 C ATOM 71 O GLY 1 5 -5.917 -7.031 -0.138 1.00 0.00 O ATOM 0 H GLY 1 5 -8.314 -10.354 -1.153 1.00 0.00 H new ATOM 0 HA2 GLY 1 5 -5.607 -9.717 -0.543 1.00 0.00 H new ATOM 0 HA3 GLY 1 5 -6.604 -9.041 -1.816 1.00 0.00 H new ATOM 75 N LEU 1 6 -7.708 -7.929 0.912 1.00 0.00 N ATOM 76 CA LEU 1 6 -7.954 -6.757 1.734 1.00 0.00 C ATOM 77 C LEU 1 6 -8.515 -7.197 3.087 1.00 0.00 C ATOM 78 O LEU 1 6 -9.132 -6.403 3.797 1.00 0.00 O ATOM 79 CB LEU 1 6 -8.847 -5.760 0.993 1.00 0.00 C ATOM 80 CG LEU 1 6 -10.188 -6.302 0.494 1.00 0.00 C ATOM 81 CD1 LEU 1 6 -10.029 -6.995 -0.860 1.00 0.00 C ATOM 82 CD2 LEU 1 6 -10.829 -7.220 1.537 1.00 0.00 C ATOM 0 H LEU 1 6 -8.359 -8.700 1.062 1.00 0.00 H new ATOM 0 HA LEU 1 6 -7.022 -6.228 1.932 1.00 0.00 H new ATOM 0 HB2 LEU 1 6 -9.042 -4.916 1.655 1.00 0.00 H new ATOM 0 HB3 LEU 1 6 -8.293 -5.373 0.138 1.00 0.00 H new ATOM 0 HG LEU 1 6 -10.864 -5.460 0.347 1.00 0.00 H new ATOM 0 HD11 LEU 1 6 -10.997 -7.371 -1.192 1.00 0.00 H new ATOM 0 HD12 LEU 1 6 -9.646 -6.282 -1.591 1.00 0.00 H new ATOM 0 HD13 LEU 1 6 -9.330 -7.826 -0.764 1.00 0.00 H new ATOM 0 HD21 LEU 1 6 -11.781 -7.592 1.158 1.00 0.00 H new ATOM 0 HD22 LEU 1 6 -10.165 -8.061 1.739 1.00 0.00 H new ATOM 0 HD23 LEU 1 6 -10.998 -6.662 2.458 1.00 0.00 H new ATOM 94 N SER 1 7 -8.282 -8.462 3.406 1.00 0.00 N ATOM 95 CA SER 1 7 -8.757 -9.017 4.662 1.00 0.00 C ATOM 96 C SER 1 7 -7.586 -9.192 5.632 1.00 0.00 C ATOM 97 O SER 1 7 -6.498 -9.604 5.231 1.00 0.00 O ATOM 98 CB SER 1 7 -9.466 -10.354 4.440 1.00 0.00 C ATOM 99 OG SER 1 7 -10.801 -10.340 4.939 1.00 0.00 O ATOM 0 H SER 1 7 -7.770 -9.118 2.816 1.00 0.00 H new ATOM 0 HA SER 1 7 -9.477 -8.322 5.093 1.00 0.00 H new ATOM 0 HB2 SER 1 7 -9.480 -10.585 3.375 1.00 0.00 H new ATOM 0 HB3 SER 1 7 -8.904 -11.148 4.931 1.00 0.00 H new ATOM 0 HG SER 1 7 -11.397 -10.771 4.291 1.00 0.00 H new ATOM 105 N ALA 1 8 -7.849 -8.872 6.890 1.00 0.00 N ATOM 106 CA ALA 1 8 -6.832 -8.988 7.921 1.00 0.00 C ATOM 107 C ALA 1 8 -6.496 -10.465 8.135 1.00 0.00 C ATOM 108 O ALA 1 8 -6.648 -10.986 9.239 1.00 0.00 O ATOM 109 CB ALA 1 8 -7.322 -8.310 9.202 1.00 0.00 C ATOM 0 H ALA 1 8 -8.753 -8.532 7.219 1.00 0.00 H new ATOM 0 HA ALA 1 8 -5.916 -8.482 7.615 1.00 0.00 H new ATOM 0 HB1 ALA 1 8 -6.558 -8.398 9.975 1.00 0.00 H new ATOM 0 HB2 ALA 1 8 -7.519 -7.256 9.004 1.00 0.00 H new ATOM 0 HB3 ALA 1 8 -8.239 -8.792 9.541 1.00 0.00 H new ATOM 115 N ASN 1 9 -6.045 -11.099 7.062 1.00 0.00 N ATOM 116 CA ASN 1 9 -5.686 -12.506 7.119 1.00 0.00 C ATOM 117 C ASN 1 9 -4.624 -12.800 6.058 1.00 0.00 C ATOM 118 O ASN 1 9 -3.838 -13.734 6.204 1.00 0.00 O ATOM 119 CB ASN 1 9 -6.898 -13.394 6.834 1.00 0.00 C ATOM 120 CG ASN 1 9 -6.976 -14.553 7.830 1.00 0.00 C ATOM 121 OD1 ASN 1 9 -7.890 -14.655 8.632 1.00 0.00 O ATOM 122 ND2 ASN 1 9 -5.969 -15.415 7.737 1.00 0.00 N ATOM 0 H ASN 1 9 -5.920 -10.664 6.148 1.00 0.00 H new ATOM 0 HA ASN 1 9 -5.310 -12.719 8.120 1.00 0.00 H new ATOM 0 HB2 ASN 1 9 -7.810 -12.800 6.890 1.00 0.00 H new ATOM 0 HB3 ASN 1 9 -6.835 -13.786 5.819 1.00 0.00 H new ATOM 0 HD21 ASN 1 9 -5.929 -16.222 8.360 1.00 0.00 H new ATOM 0 HD22 ASN 1 9 -5.236 -15.270 7.043 1.00 0.00 H new ATOM 129 N GLN 1 10 -4.635 -11.984 5.014 1.00 0.00 N ATOM 130 CA GLN 1 10 -3.681 -12.145 3.929 1.00 0.00 C ATOM 131 C GLN 1 10 -2.250 -12.033 4.459 1.00 0.00 C ATOM 132 O GLN 1 10 -1.340 -12.679 3.941 1.00 0.00 O ATOM 133 CB GLN 1 10 -3.936 -11.123 2.820 1.00 0.00 C ATOM 134 CG GLN 1 10 -3.065 -11.414 1.595 1.00 0.00 C ATOM 135 CD GLN 1 10 -3.720 -10.885 0.317 1.00 0.00 C ATOM 136 OE1 GLN 1 10 -4.507 -11.556 -0.331 1.00 0.00 O ATOM 137 NE2 GLN 1 10 -3.354 -9.648 -0.006 1.00 0.00 N ATOM 0 H GLN 1 10 -5.289 -11.210 4.896 1.00 0.00 H new ATOM 0 HA GLN 1 10 -3.812 -13.139 3.500 1.00 0.00 H new ATOM 0 HB2 GLN 1 10 -4.988 -11.144 2.536 1.00 0.00 H new ATOM 0 HB3 GLN 1 10 -3.726 -10.119 3.190 1.00 0.00 H new ATOM 0 HG2 GLN 1 10 -2.086 -10.953 1.723 1.00 0.00 H new ATOM 0 HG3 GLN 1 10 -2.903 -12.488 1.507 1.00 0.00 H new ATOM 0 HE21 GLN 1 10 -2.690 -9.143 0.581 1.00 0.00 H new ATOM 0 HE22 GLN 1 10 -3.737 -9.204 -0.841 1.00 0.00 H new ATOM 146 N CYS 1 11 -2.095 -11.210 5.484 1.00 0.00 N ATOM 147 CA CYS 1 11 -0.790 -11.005 6.090 1.00 0.00 C ATOM 148 C CYS 1 11 -0.310 -12.342 6.658 1.00 0.00 C ATOM 149 O CYS 1 11 0.838 -12.463 7.081 1.00 0.00 O ATOM 150 CB CYS 1 11 -0.828 -9.911 7.159 1.00 0.00 C ATOM 151 SG CYS 1 11 -0.573 -8.212 6.527 1.00 0.00 S ATOM 0 H CYS 1 11 -2.852 -10.676 5.911 1.00 0.00 H new ATOM 0 HA CYS 1 11 -0.085 -10.658 5.334 1.00 0.00 H new ATOM 0 HB2 CYS 1 11 -1.791 -9.954 7.668 1.00 0.00 H new ATOM 0 HB3 CYS 1 11 -0.063 -10.125 7.905 1.00 0.00 H new ATOM 0 HG CYS 1 11 0.554 -7.746 6.978 1.00 0.00 H new ATOM 156 N ALA 1 12 -1.213 -13.312 6.649 1.00 0.00 N ATOM 157 CA ALA 1 12 -0.896 -14.635 7.158 1.00 0.00 C ATOM 158 C ALA 1 12 -1.054 -15.660 6.034 1.00 0.00 C ATOM 159 O ALA 1 12 -1.224 -16.850 6.294 1.00 0.00 O ATOM 160 CB ALA 1 12 -1.788 -14.946 8.361 1.00 0.00 C ATOM 0 H ALA 1 12 -2.165 -13.207 6.297 1.00 0.00 H new ATOM 0 HA ALA 1 12 0.138 -14.678 7.500 1.00 0.00 H new ATOM 0 HB1 ALA 1 12 -1.550 -15.939 8.743 1.00 0.00 H new ATOM 0 HB2 ALA 1 12 -1.616 -14.206 9.142 1.00 0.00 H new ATOM 0 HB3 ALA 1 12 -2.834 -14.915 8.056 1.00 0.00 H new ATOM 166 N VAL 1 13 -0.990 -15.161 4.808 1.00 0.00 N ATOM 167 CA VAL 1 13 -1.125 -16.019 3.643 1.00 0.00 C ATOM 168 C VAL 1 13 -0.307 -17.295 3.857 1.00 0.00 C ATOM 169 O VAL 1 13 0.512 -17.365 4.772 1.00 0.00 O ATOM 170 CB VAL 1 13 -0.719 -15.255 2.381 1.00 0.00 C ATOM 171 CG1 VAL 1 13 0.626 -15.752 1.846 1.00 0.00 C ATOM 172 CG2 VAL 1 13 -1.806 -15.354 1.308 1.00 0.00 C ATOM 0 H VAL 1 13 -0.846 -14.174 4.596 1.00 0.00 H new ATOM 0 HA VAL 1 13 -2.165 -16.317 3.507 1.00 0.00 H new ATOM 0 HB VAL 1 13 -0.605 -14.204 2.648 1.00 0.00 H new ATOM 0 HG11 VAL 1 13 0.890 -15.192 0.949 1.00 0.00 H new ATOM 0 HG12 VAL 1 13 1.395 -15.607 2.604 1.00 0.00 H new ATOM 0 HG13 VAL 1 13 0.552 -16.812 1.603 1.00 0.00 H new ATOM 0 HG21 VAL 1 13 -1.493 -14.803 0.421 1.00 0.00 H new ATOM 0 HG22 VAL 1 13 -1.966 -16.400 1.047 1.00 0.00 H new ATOM 0 HG23 VAL 1 13 -2.734 -14.930 1.690 1.00 0.00 H new ATOM 182 N PRO 1 14 -0.564 -18.298 2.976 1.00 0.00 N ATOM 183 CA PRO 1 14 0.138 -19.567 3.060 1.00 0.00 C ATOM 184 C PRO 1 14 1.573 -19.435 2.544 1.00 0.00 C ATOM 185 O PRO 1 14 2.157 -20.406 2.066 1.00 0.00 O ATOM 186 CB PRO 1 14 -0.700 -20.536 2.242 1.00 0.00 C ATOM 187 CG PRO 1 14 -1.582 -19.675 1.353 1.00 0.00 C ATOM 188 CD PRO 1 14 -1.527 -18.251 1.880 1.00 0.00 C ATOM 0 HA PRO 1 14 0.245 -19.921 4.085 1.00 0.00 H new ATOM 0 HB2 PRO 1 14 -0.067 -21.193 1.646 1.00 0.00 H new ATOM 0 HB3 PRO 1 14 -1.302 -21.174 2.889 1.00 0.00 H new ATOM 0 HG2 PRO 1 14 -1.236 -19.713 0.320 1.00 0.00 H new ATOM 0 HG3 PRO 1 14 -2.607 -20.045 1.359 1.00 0.00 H new ATOM 0 HD2 PRO 1 14 -1.210 -17.554 1.104 1.00 0.00 H new ATOM 0 HD3 PRO 1 14 -2.506 -17.919 2.227 1.00 0.00 H new ATOM 196 N ALA 1 15 2.100 -18.224 2.659 1.00 0.00 N ATOM 197 CA ALA 1 15 3.455 -17.953 2.211 1.00 0.00 C ATOM 198 C ALA 1 15 3.661 -18.566 0.824 1.00 0.00 C ATOM 199 O ALA 1 15 4.413 -19.528 0.672 1.00 0.00 O ATOM 200 CB ALA 1 15 4.451 -18.491 3.241 1.00 0.00 C ATOM 0 H ALA 1 15 1.613 -17.420 3.056 1.00 0.00 H new ATOM 0 HA ALA 1 15 3.624 -16.880 2.125 1.00 0.00 H new ATOM 0 HB1 ALA 1 15 5.468 -18.288 2.905 1.00 0.00 H new ATOM 0 HB2 ALA 1 15 4.282 -18.003 4.201 1.00 0.00 H new ATOM 0 HB3 ALA 1 15 4.314 -19.567 3.352 1.00 0.00 H new ATOM 206 N LYS 1 16 2.981 -17.984 -0.152 1.00 0.00 N ATOM 207 CA LYS 1 16 3.079 -18.461 -1.521 1.00 0.00 C ATOM 208 C LYS 1 16 1.979 -17.812 -2.364 1.00 0.00 C ATOM 209 O LYS 1 16 1.370 -18.468 -3.206 1.00 0.00 O ATOM 210 CB LYS 1 16 3.062 -19.991 -1.557 1.00 0.00 C ATOM 211 CG LYS 1 16 2.034 -20.551 -0.573 1.00 0.00 C ATOM 212 CD LYS 1 16 0.918 -21.294 -1.309 1.00 0.00 C ATOM 213 CE LYS 1 16 1.404 -22.655 -1.811 1.00 0.00 C ATOM 214 NZ LYS 1 16 0.365 -23.688 -1.599 1.00 0.00 N ATOM 0 H LYS 1 16 2.359 -17.186 -0.022 1.00 0.00 H new ATOM 0 HA LYS 1 16 4.032 -18.166 -1.960 1.00 0.00 H new ATOM 0 HB2 LYS 1 16 2.829 -20.332 -2.566 1.00 0.00 H new ATOM 0 HB3 LYS 1 16 4.052 -20.375 -1.312 1.00 0.00 H new ATOM 0 HG2 LYS 1 16 2.526 -21.227 0.127 1.00 0.00 H new ATOM 0 HG3 LYS 1 16 1.608 -19.738 0.015 1.00 0.00 H new ATOM 0 HD2 LYS 1 16 0.066 -21.431 -0.643 1.00 0.00 H new ATOM 0 HD3 LYS 1 16 0.571 -20.695 -2.151 1.00 0.00 H new ATOM 0 HE2 LYS 1 16 1.651 -22.591 -2.871 1.00 0.00 H new ATOM 0 HE3 LYS 1 16 2.318 -22.937 -1.288 1.00 0.00 H new ATOM 0 HZ1 LYS 1 16 0.712 -24.605 -1.945 1.00 0.00 H new ATOM 0 HZ2 LYS 1 16 0.149 -23.760 -0.584 1.00 0.00 H new ATOM 0 HZ3 LYS 1 16 -0.497 -23.425 -2.118 1.00 0.00 H new ATOM 228 N ASP 1 17 1.759 -16.531 -2.106 1.00 0.00 N ATOM 229 CA ASP 1 17 0.742 -15.787 -2.830 1.00 0.00 C ATOM 230 C ASP 1 17 1.000 -14.288 -2.666 1.00 0.00 C ATOM 231 O ASP 1 17 0.141 -13.468 -2.985 1.00 0.00 O ATOM 232 CB ASP 1 17 -0.655 -16.088 -2.284 1.00 0.00 C ATOM 233 CG ASP 1 17 -1.807 -15.726 -3.223 1.00 0.00 C ATOM 234 OD1 ASP 1 17 -2.168 -16.599 -4.042 1.00 0.00 O ATOM 235 OD2 ASP 1 17 -2.301 -14.584 -3.100 1.00 0.00 O ATOM 0 H ASP 1 17 2.267 -15.990 -1.406 1.00 0.00 H new ATOM 0 HA ASP 1 17 0.791 -16.082 -3.878 1.00 0.00 H new ATOM 0 HB2 ASP 1 17 -0.716 -17.151 -2.051 1.00 0.00 H new ATOM 0 HB3 ASP 1 17 -0.787 -15.548 -1.346 1.00 0.00 H new ATOM 240 N ARG 1 18 2.189 -13.976 -2.170 1.00 0.00 N ATOM 241 CA ARG 1 18 2.572 -12.589 -1.961 1.00 0.00 C ATOM 242 C ARG 1 18 3.258 -12.033 -3.210 1.00 0.00 C ATOM 243 O ARG 1 18 3.540 -12.775 -4.149 1.00 0.00 O ATOM 244 CB ARG 1 18 3.515 -12.454 -0.764 1.00 0.00 C ATOM 245 CG ARG 1 18 2.962 -13.189 0.458 1.00 0.00 C ATOM 246 CD ARG 1 18 4.093 -13.793 1.293 1.00 0.00 C ATOM 247 NE ARG 1 18 3.577 -14.212 2.615 1.00 0.00 N ATOM 248 CZ ARG 1 18 4.344 -14.386 3.701 1.00 0.00 C ATOM 249 NH1 ARG 1 18 5.665 -14.175 3.628 1.00 0.00 N ATOM 250 NH2 ARG 1 18 3.789 -14.768 4.859 1.00 0.00 N ATOM 0 H ARG 1 18 2.899 -14.659 -1.907 1.00 0.00 H new ATOM 0 HA ARG 1 18 1.664 -12.020 -1.760 1.00 0.00 H new ATOM 0 HB2 ARG 1 18 4.495 -12.856 -1.022 1.00 0.00 H new ATOM 0 HB3 ARG 1 18 3.656 -11.400 -0.525 1.00 0.00 H new ATOM 0 HG2 ARG 1 18 2.382 -12.499 1.070 1.00 0.00 H new ATOM 0 HG3 ARG 1 18 2.282 -13.978 0.136 1.00 0.00 H new ATOM 0 HD2 ARG 1 18 4.523 -14.649 0.773 1.00 0.00 H new ATOM 0 HD3 ARG 1 18 4.892 -13.063 1.420 1.00 0.00 H new ATOM 0 HE ARG 1 18 2.575 -14.379 2.706 1.00 0.00 H new ATOM 0 HH11 ARG 1 18 6.087 -13.882 2.747 1.00 0.00 H new ATOM 0 HH12 ARG 1 18 6.249 -14.307 4.454 1.00 0.00 H new ATOM 0 HH21 ARG 1 18 2.783 -14.927 4.915 1.00 0.00 H new ATOM 0 HH22 ARG 1 18 4.373 -14.900 5.685 1.00 0.00 H new ATOM 264 N VAL 1 19 3.508 -10.732 -3.179 1.00 0.00 N ATOM 265 CA VAL 1 19 4.156 -10.069 -4.297 1.00 0.00 C ATOM 266 C VAL 1 19 5.610 -9.762 -3.930 1.00 0.00 C ATOM 267 O VAL 1 19 6.245 -8.912 -4.552 1.00 0.00 O ATOM 268 CB VAL 1 19 3.364 -8.821 -4.695 1.00 0.00 C ATOM 269 CG1 VAL 1 19 3.750 -8.353 -6.099 1.00 0.00 C ATOM 270 CG2 VAL 1 19 1.859 -9.073 -4.594 1.00 0.00 C ATOM 0 H VAL 1 19 3.273 -10.120 -2.397 1.00 0.00 H new ATOM 0 HA VAL 1 19 4.172 -10.721 -5.170 1.00 0.00 H new ATOM 0 HB VAL 1 19 3.617 -8.024 -3.995 1.00 0.00 H new ATOM 0 HG11 VAL 1 19 3.173 -7.465 -6.358 1.00 0.00 H new ATOM 0 HG12 VAL 1 19 4.813 -8.115 -6.124 1.00 0.00 H new ATOM 0 HG13 VAL 1 19 3.539 -9.145 -6.817 1.00 0.00 H new ATOM 0 HG21 VAL 1 19 1.319 -8.171 -4.882 1.00 0.00 H new ATOM 0 HG22 VAL 1 19 1.581 -9.890 -5.260 1.00 0.00 H new ATOM 0 HG23 VAL 1 19 1.602 -9.338 -3.568 1.00 0.00 H new ATOM 280 N ASP 1 20 6.093 -10.470 -2.919 1.00 0.00 N ATOM 281 CA ASP 1 20 7.460 -10.285 -2.461 1.00 0.00 C ATOM 282 C ASP 1 20 7.865 -8.823 -2.659 1.00 0.00 C ATOM 283 O ASP 1 20 8.443 -8.468 -3.685 1.00 0.00 O ATOM 284 CB ASP 1 20 8.431 -11.157 -3.259 1.00 0.00 C ATOM 285 CG ASP 1 20 9.853 -10.604 -3.372 1.00 0.00 C ATOM 286 OD1 ASP 1 20 10.424 -10.285 -2.307 1.00 0.00 O ATOM 287 OD2 ASP 1 20 10.337 -10.512 -4.521 1.00 0.00 O ATOM 0 H ASP 1 20 5.562 -11.173 -2.404 1.00 0.00 H new ATOM 0 HA ASP 1 20 7.505 -10.566 -1.409 1.00 0.00 H new ATOM 0 HB2 ASP 1 20 8.476 -12.142 -2.795 1.00 0.00 H new ATOM 0 HB3 ASP 1 20 8.030 -11.296 -4.263 1.00 0.00 H new ATOM 292 N CYS 1 21 7.545 -8.013 -1.659 1.00 0.00 N ATOM 293 CA CYS 1 21 7.869 -6.598 -1.710 1.00 0.00 C ATOM 294 C CYS 1 21 9.349 -6.456 -2.068 1.00 0.00 C ATOM 295 O CYS 1 21 9.734 -5.527 -2.777 1.00 0.00 O ATOM 296 CB CYS 1 21 7.530 -5.892 -0.396 1.00 0.00 C ATOM 297 SG CYS 1 21 6.859 -4.200 -0.584 1.00 0.00 S ATOM 0 H CYS 1 21 7.065 -8.310 -0.810 1.00 0.00 H new ATOM 0 HA CYS 1 21 7.263 -6.112 -2.475 1.00 0.00 H new ATOM 0 HB2 CYS 1 21 6.805 -6.497 0.148 1.00 0.00 H new ATOM 0 HB3 CYS 1 21 8.430 -5.845 0.217 1.00 0.00 H new ATOM 302 N GLY 1 22 10.139 -7.391 -1.562 1.00 0.00 N ATOM 303 CA GLY 1 22 11.570 -7.382 -1.819 1.00 0.00 C ATOM 304 C GLY 1 22 12.173 -6.010 -1.511 1.00 0.00 C ATOM 305 O GLY 1 22 12.717 -5.354 -2.398 1.00 0.00 O ATOM 0 H GLY 1 22 9.816 -8.160 -0.975 1.00 0.00 H new ATOM 0 HA2 GLY 1 22 12.058 -8.143 -1.209 1.00 0.00 H new ATOM 0 HA3 GLY 1 22 11.758 -7.640 -2.861 1.00 0.00 H new ATOM 309 N TYR 1 23 12.057 -5.618 -0.251 1.00 0.00 N ATOM 310 CA TYR 1 23 12.586 -4.336 0.185 1.00 0.00 C ATOM 311 C TYR 1 23 14.027 -4.476 0.681 1.00 0.00 C ATOM 312 O TYR 1 23 14.380 -5.481 1.297 1.00 0.00 O ATOM 313 CB TYR 1 23 11.700 -3.890 1.351 1.00 0.00 C ATOM 314 CG TYR 1 23 10.832 -2.669 1.040 1.00 0.00 C ATOM 315 CD1 TYR 1 23 11.345 -1.399 1.195 1.00 0.00 C ATOM 316 CD2 TYR 1 23 9.532 -2.840 0.603 1.00 0.00 C ATOM 317 CE1 TYR 1 23 10.527 -0.250 0.903 1.00 0.00 C ATOM 318 CE2 TYR 1 23 8.715 -1.691 0.310 1.00 0.00 C ATOM 319 CZ TYR 1 23 9.253 -0.453 0.475 1.00 0.00 C ATOM 320 OH TYR 1 23 8.480 0.632 0.198 1.00 0.00 O ATOM 0 H TYR 1 23 11.605 -6.165 0.482 1.00 0.00 H new ATOM 0 HA TYR 1 23 12.587 -3.622 -0.638 1.00 0.00 H new ATOM 0 HB2 TYR 1 23 11.054 -4.718 1.641 1.00 0.00 H new ATOM 0 HB3 TYR 1 23 12.333 -3.664 2.209 1.00 0.00 H new ATOM 0 HD1 TYR 1 23 12.361 -1.265 1.536 1.00 0.00 H new ATOM 0 HD2 TYR 1 23 9.129 -3.835 0.481 1.00 0.00 H new ATOM 0 HE1 TYR 1 23 10.917 0.750 1.021 1.00 0.00 H new ATOM 0 HE2 TYR 1 23 7.698 -1.810 -0.033 1.00 0.00 H new ATOM 0 HH TYR 1 23 8.708 0.978 -0.690 1.00 0.00 H new ATOM 330 N PRO 1 24 14.841 -3.428 0.385 1.00 0.00 N ATOM 331 CA PRO 1 24 16.235 -3.424 0.794 1.00 0.00 C ATOM 332 C PRO 1 24 16.367 -3.149 2.292 1.00 0.00 C ATOM 333 O PRO 1 24 17.463 -3.214 2.845 1.00 0.00 O ATOM 334 CB PRO 1 24 16.894 -2.358 -0.067 1.00 0.00 C ATOM 335 CG PRO 1 24 15.764 -1.487 -0.590 1.00 0.00 C ATOM 336 CD PRO 1 24 14.456 -2.222 -0.343 1.00 0.00 C ATOM 0 HA PRO 1 24 16.719 -4.390 0.649 1.00 0.00 H new ATOM 0 HB2 PRO 1 24 17.603 -1.770 0.515 1.00 0.00 H new ATOM 0 HB3 PRO 1 24 17.452 -2.809 -0.888 1.00 0.00 H new ATOM 0 HG2 PRO 1 24 15.761 -0.522 -0.084 1.00 0.00 H new ATOM 0 HG3 PRO 1 24 15.896 -1.289 -1.654 1.00 0.00 H new ATOM 0 HD2 PRO 1 24 13.763 -1.613 0.238 1.00 0.00 H new ATOM 0 HD3 PRO 1 24 13.956 -2.468 -1.280 1.00 0.00 H new ATOM 344 N HIS 1 25 15.233 -2.846 2.908 1.00 0.00 N ATOM 345 CA HIS 1 25 15.208 -2.560 4.332 1.00 0.00 C ATOM 346 C HIS 1 25 14.201 -3.482 5.023 1.00 0.00 C ATOM 347 O HIS 1 25 13.832 -3.253 6.174 1.00 0.00 O ATOM 348 CB HIS 1 25 14.924 -1.078 4.584 1.00 0.00 C ATOM 349 CG HIS 1 25 16.107 -0.309 5.122 1.00 0.00 C ATOM 350 ND1 HIS 1 25 16.623 0.810 4.491 1.00 0.00 N ATOM 351 CD2 HIS 1 25 16.868 -0.509 6.236 1.00 0.00 C ATOM 352 CE1 HIS 1 25 17.649 1.255 5.202 1.00 0.00 C ATOM 353 NE2 HIS 1 25 17.800 0.436 6.283 1.00 0.00 N ATOM 0 H HIS 1 25 14.325 -2.793 2.446 1.00 0.00 H new ATOM 0 HA HIS 1 25 16.188 -2.761 4.764 1.00 0.00 H new ATOM 0 HB2 HIS 1 25 14.598 -0.617 3.651 1.00 0.00 H new ATOM 0 HB3 HIS 1 25 14.097 -0.992 5.288 1.00 0.00 H new ATOM 0 HD2 HIS 1 25 16.735 -1.302 6.958 1.00 0.00 H new ATOM 0 HE1 HIS 1 25 18.259 2.115 4.967 1.00 0.00 H new ATOM 0 HE2 HIS 1 25 18.511 0.534 7.008 1.00 0.00 H new ATOM 362 N VAL 1 26 13.785 -4.506 4.291 1.00 0.00 N ATOM 363 CA VAL 1 26 12.829 -5.463 4.820 1.00 0.00 C ATOM 364 C VAL 1 26 13.128 -5.714 6.298 1.00 0.00 C ATOM 365 O VAL 1 26 14.245 -6.085 6.655 1.00 0.00 O ATOM 366 CB VAL 1 26 12.851 -6.742 3.980 1.00 0.00 C ATOM 367 CG1 VAL 1 26 14.284 -7.133 3.614 1.00 0.00 C ATOM 368 CG2 VAL 1 26 12.138 -7.886 4.704 1.00 0.00 C ATOM 0 H VAL 1 26 14.093 -4.693 3.337 1.00 0.00 H new ATOM 0 HA VAL 1 26 11.816 -5.065 4.757 1.00 0.00 H new ATOM 0 HB VAL 1 26 12.311 -6.544 3.054 1.00 0.00 H new ATOM 0 HG11 VAL 1 26 14.271 -8.045 3.017 1.00 0.00 H new ATOM 0 HG12 VAL 1 26 14.745 -6.330 3.039 1.00 0.00 H new ATOM 0 HG13 VAL 1 26 14.859 -7.303 4.525 1.00 0.00 H new ATOM 0 HG21 VAL 1 26 12.168 -8.783 4.085 1.00 0.00 H new ATOM 0 HG22 VAL 1 26 12.637 -8.083 5.653 1.00 0.00 H new ATOM 0 HG23 VAL 1 26 11.101 -7.608 4.890 1.00 0.00 H new ATOM 378 N THR 1 27 12.110 -5.501 7.120 1.00 0.00 N ATOM 379 CA THR 1 27 12.250 -5.700 8.553 1.00 0.00 C ATOM 380 C THR 1 27 10.874 -5.752 9.220 1.00 0.00 C ATOM 381 O THR 1 27 9.908 -5.197 8.703 1.00 0.00 O ATOM 382 CB THR 1 27 13.148 -4.588 9.098 1.00 0.00 C ATOM 383 OG1 THR 1 27 14.245 -5.284 9.684 1.00 0.00 O ATOM 384 CG2 THR 1 27 12.510 -3.842 10.272 1.00 0.00 C ATOM 0 H THR 1 27 11.185 -5.193 6.821 1.00 0.00 H new ATOM 0 HA THR 1 27 12.721 -6.657 8.776 1.00 0.00 H new ATOM 0 HB THR 1 27 13.375 -3.881 8.300 1.00 0.00 H new ATOM 0 HG1 THR 1 27 14.878 -4.638 10.061 1.00 0.00 H new ATOM 0 HG21 THR 1 27 13.189 -3.064 10.621 1.00 0.00 H new ATOM 0 HG22 THR 1 27 11.573 -3.388 9.949 1.00 0.00 H new ATOM 0 HG23 THR 1 27 12.313 -4.542 11.084 1.00 0.00 H new ATOM 392 N PRO 1 28 10.831 -6.444 10.391 1.00 0.00 N ATOM 393 CA PRO 1 28 9.590 -6.576 11.136 1.00 0.00 C ATOM 394 C PRO 1 28 9.239 -5.271 11.852 1.00 0.00 C ATOM 395 O PRO 1 28 8.973 -5.271 13.054 1.00 0.00 O ATOM 396 CB PRO 1 28 9.827 -7.734 12.091 1.00 0.00 C ATOM 397 CG PRO 1 28 11.334 -7.905 12.174 1.00 0.00 C ATOM 398 CD PRO 1 28 11.957 -7.114 11.034 1.00 0.00 C ATOM 0 HA PRO 1 28 8.732 -6.776 10.494 1.00 0.00 H new ATOM 0 HB2 PRO 1 28 9.403 -7.523 13.073 1.00 0.00 H new ATOM 0 HB3 PRO 1 28 9.350 -8.644 11.727 1.00 0.00 H new ATOM 0 HG2 PRO 1 28 11.706 -7.548 13.134 1.00 0.00 H new ATOM 0 HG3 PRO 1 28 11.603 -8.959 12.099 1.00 0.00 H new ATOM 0 HD2 PRO 1 28 12.688 -6.395 11.404 1.00 0.00 H new ATOM 0 HD3 PRO 1 28 12.479 -7.769 10.336 1.00 0.00 H new ATOM 406 N LYS 1 29 9.247 -4.191 11.086 1.00 0.00 N ATOM 407 CA LYS 1 29 8.934 -2.882 11.632 1.00 0.00 C ATOM 408 C LYS 1 29 9.061 -1.829 10.530 1.00 0.00 C ATOM 409 O LYS 1 29 8.487 -0.746 10.631 1.00 0.00 O ATOM 410 CB LYS 1 29 9.797 -2.593 12.861 1.00 0.00 C ATOM 411 CG LYS 1 29 9.039 -1.735 13.875 1.00 0.00 C ATOM 412 CD LYS 1 29 9.106 -2.351 15.274 1.00 0.00 C ATOM 413 CE LYS 1 29 7.827 -3.127 15.594 1.00 0.00 C ATOM 414 NZ LYS 1 29 8.149 -4.516 15.991 1.00 0.00 N ATOM 0 H LYS 1 29 9.466 -4.196 10.090 1.00 0.00 H new ATOM 0 HA LYS 1 29 7.902 -2.854 11.982 1.00 0.00 H new ATOM 0 HB2 LYS 1 29 10.098 -3.531 13.327 1.00 0.00 H new ATOM 0 HB3 LYS 1 29 10.710 -2.081 12.556 1.00 0.00 H new ATOM 0 HG2 LYS 1 29 9.462 -0.731 13.895 1.00 0.00 H new ATOM 0 HG3 LYS 1 29 7.998 -1.636 13.567 1.00 0.00 H new ATOM 0 HD2 LYS 1 29 9.966 -3.017 15.341 1.00 0.00 H new ATOM 0 HD3 LYS 1 29 9.253 -1.565 16.015 1.00 0.00 H new ATOM 0 HE2 LYS 1 29 7.284 -2.629 16.398 1.00 0.00 H new ATOM 0 HE3 LYS 1 29 7.171 -3.134 14.723 1.00 0.00 H new ATOM 0 HZ1 LYS 1 29 7.299 -4.971 16.381 1.00 0.00 H new ATOM 0 HZ2 LYS 1 29 8.476 -5.048 15.159 1.00 0.00 H new ATOM 0 HZ3 LYS 1 29 8.898 -4.506 16.712 1.00 0.00 H new ATOM 428 N GLU 1 30 9.816 -2.184 9.500 1.00 0.00 N ATOM 429 CA GLU 1 30 10.027 -1.284 8.380 1.00 0.00 C ATOM 430 C GLU 1 30 9.026 -1.585 7.263 1.00 0.00 C ATOM 431 O GLU 1 30 8.429 -0.670 6.697 1.00 0.00 O ATOM 432 CB GLU 1 30 11.466 -1.373 7.867 1.00 0.00 C ATOM 433 CG GLU 1 30 12.287 -0.167 8.324 1.00 0.00 C ATOM 434 CD GLU 1 30 12.854 -0.390 9.728 1.00 0.00 C ATOM 435 OE1 GLU 1 30 12.042 -0.703 10.625 1.00 0.00 O ATOM 436 OE2 GLU 1 30 14.088 -0.244 9.871 1.00 0.00 O ATOM 0 H GLU 1 30 10.289 -3.084 9.418 1.00 0.00 H new ATOM 0 HA GLU 1 30 9.863 -0.263 8.723 1.00 0.00 H new ATOM 0 HB2 GLU 1 30 11.929 -2.291 8.230 1.00 0.00 H new ATOM 0 HB3 GLU 1 30 11.465 -1.425 6.778 1.00 0.00 H new ATOM 0 HG2 GLU 1 30 13.102 0.009 7.622 1.00 0.00 H new ATOM 0 HG3 GLU 1 30 11.662 0.726 8.318 1.00 0.00 H new ATOM 443 N CYS 1 31 8.873 -2.870 6.979 1.00 0.00 N ATOM 444 CA CYS 1 31 7.955 -3.303 5.939 1.00 0.00 C ATOM 445 C CYS 1 31 6.568 -2.742 6.259 1.00 0.00 C ATOM 446 O CYS 1 31 5.971 -2.046 5.439 1.00 0.00 O ATOM 447 CB CYS 1 31 7.936 -4.826 5.799 1.00 0.00 C ATOM 448 SG CYS 1 31 9.451 -5.548 5.070 1.00 0.00 S ATOM 0 H CYS 1 31 9.369 -3.626 7.451 1.00 0.00 H new ATOM 0 HA CYS 1 31 8.288 -2.920 4.974 1.00 0.00 H new ATOM 0 HB2 CYS 1 31 7.779 -5.265 6.784 1.00 0.00 H new ATOM 0 HB3 CYS 1 31 7.082 -5.110 5.183 1.00 0.00 H new ATOM 453 N ASN 1 32 6.095 -3.065 7.454 1.00 0.00 N ATOM 454 CA ASN 1 32 4.789 -2.603 7.892 1.00 0.00 C ATOM 455 C ASN 1 32 4.783 -1.073 7.936 1.00 0.00 C ATOM 456 O ASN 1 32 3.734 -0.459 8.120 1.00 0.00 O ATOM 457 CB ASN 1 32 4.466 -3.116 9.297 1.00 0.00 C ATOM 458 CG ASN 1 32 3.737 -4.461 9.234 1.00 0.00 C ATOM 459 OD1 ASN 1 32 2.620 -4.613 9.702 1.00 0.00 O ATOM 460 ND2 ASN 1 32 4.428 -5.424 8.632 1.00 0.00 N ATOM 0 H ASN 1 32 6.593 -3.641 8.132 1.00 0.00 H new ATOM 0 HA ASN 1 32 4.045 -2.980 7.190 1.00 0.00 H new ATOM 0 HB2 ASN 1 32 5.387 -3.224 9.870 1.00 0.00 H new ATOM 0 HB3 ASN 1 32 3.848 -2.387 9.821 1.00 0.00 H new ATOM 0 HD21 ASN 1 32 4.028 -6.358 8.540 1.00 0.00 H new ATOM 0 HD22 ASN 1 32 5.358 -5.229 8.262 1.00 0.00 H new ATOM 467 N ASN 1 33 5.967 -0.504 7.764 1.00 0.00 N ATOM 468 CA ASN 1 33 6.111 0.942 7.781 1.00 0.00 C ATOM 469 C ASN 1 33 6.156 1.463 6.343 1.00 0.00 C ATOM 470 O ASN 1 33 5.708 2.575 6.068 1.00 0.00 O ATOM 471 CB ASN 1 33 7.410 1.358 8.476 1.00 0.00 C ATOM 472 CG ASN 1 33 7.348 2.819 8.924 1.00 0.00 C ATOM 473 OD1 ASN 1 33 6.350 3.503 8.766 1.00 0.00 O ATOM 474 ND2 ASN 1 33 8.469 3.260 9.488 1.00 0.00 N ATOM 0 H ASN 1 33 6.835 -1.018 7.612 1.00 0.00 H new ATOM 0 HA ASN 1 33 5.262 1.359 8.323 1.00 0.00 H new ATOM 0 HB2 ASN 1 33 7.586 0.716 9.339 1.00 0.00 H new ATOM 0 HB3 ASN 1 33 8.251 1.217 7.797 1.00 0.00 H new ATOM 0 HD21 ASN 1 33 8.529 4.223 9.818 1.00 0.00 H new ATOM 0 HD22 ASN 1 33 9.269 2.635 9.590 1.00 0.00 H new ATOM 481 N ARG 1 34 6.700 0.635 5.465 1.00 0.00 N ATOM 482 CA ARG 1 34 6.809 0.997 4.062 1.00 0.00 C ATOM 483 C ARG 1 34 5.503 0.684 3.330 1.00 0.00 C ATOM 484 O ARG 1 34 5.217 1.268 2.285 1.00 0.00 O ATOM 485 CB ARG 1 34 7.958 0.246 3.385 1.00 0.00 C ATOM 486 CG ARG 1 34 9.164 0.134 4.320 1.00 0.00 C ATOM 487 CD ARG 1 34 10.446 0.585 3.618 1.00 0.00 C ATOM 488 NE ARG 1 34 11.334 1.276 4.579 1.00 0.00 N ATOM 489 CZ ARG 1 34 12.446 1.938 4.234 1.00 0.00 C ATOM 490 NH1 ARG 1 34 12.814 2.002 2.946 1.00 0.00 N ATOM 491 NH2 ARG 1 34 13.191 2.536 5.174 1.00 0.00 N ATOM 0 H ARG 1 34 7.071 -0.286 5.698 1.00 0.00 H new ATOM 0 HA ARG 1 34 7.011 2.067 4.011 1.00 0.00 H new ATOM 0 HB2 ARG 1 34 7.625 -0.750 3.094 1.00 0.00 H new ATOM 0 HB3 ARG 1 34 8.248 0.765 2.471 1.00 0.00 H new ATOM 0 HG2 ARG 1 34 8.998 0.744 5.208 1.00 0.00 H new ATOM 0 HG3 ARG 1 34 9.273 -0.897 4.657 1.00 0.00 H new ATOM 0 HD2 ARG 1 34 10.959 -0.277 3.191 1.00 0.00 H new ATOM 0 HD3 ARG 1 34 10.202 1.252 2.791 1.00 0.00 H new ATOM 0 HE ARG 1 34 11.083 1.246 5.567 1.00 0.00 H new ATOM 0 HH11 ARG 1 34 12.247 1.547 2.230 1.00 0.00 H new ATOM 0 HH12 ARG 1 34 13.661 2.506 2.682 1.00 0.00 H new ATOM 0 HH21 ARG 1 34 12.911 2.487 6.154 1.00 0.00 H new ATOM 0 HH22 ARG 1 34 14.038 3.040 4.910 1.00 0.00 H new ATOM 505 N GLY 1 35 4.746 -0.237 3.905 1.00 0.00 N ATOM 506 CA GLY 1 35 3.477 -0.635 3.320 1.00 0.00 C ATOM 507 C GLY 1 35 3.471 -2.127 2.982 1.00 0.00 C ATOM 508 O GLY 1 35 2.631 -2.592 2.215 1.00 0.00 O ATOM 0 H GLY 1 35 4.987 -0.720 4.771 1.00 0.00 H new ATOM 0 HA2 GLY 1 35 2.667 -0.413 4.015 1.00 0.00 H new ATOM 0 HA3 GLY 1 35 3.291 -0.054 2.417 1.00 0.00 H new ATOM 512 N CYS 1 36 4.422 -2.837 3.574 1.00 0.00 N ATOM 513 CA CYS 1 36 4.538 -4.269 3.345 1.00 0.00 C ATOM 514 C CYS 1 36 4.396 -4.982 4.691 1.00 0.00 C ATOM 515 O CYS 1 36 4.627 -4.386 5.742 1.00 0.00 O ATOM 516 CB CYS 1 36 5.851 -4.625 2.645 1.00 0.00 C ATOM 517 SG CYS 1 36 6.263 -3.573 1.205 1.00 0.00 S ATOM 0 H CYS 1 36 5.118 -2.448 4.211 1.00 0.00 H new ATOM 0 HA CYS 1 36 3.745 -4.599 2.674 1.00 0.00 H new ATOM 0 HB2 CYS 1 36 6.662 -4.558 3.370 1.00 0.00 H new ATOM 0 HB3 CYS 1 36 5.801 -5.663 2.316 1.00 0.00 H new ATOM 522 N CYS 1 37 4.016 -6.250 4.615 1.00 0.00 N ATOM 523 CA CYS 1 37 3.842 -7.052 5.814 1.00 0.00 C ATOM 524 C CYS 1 37 5.052 -7.977 5.953 1.00 0.00 C ATOM 525 O CYS 1 37 5.390 -8.706 5.022 1.00 0.00 O ATOM 526 CB CYS 1 37 2.525 -7.831 5.786 1.00 0.00 C ATOM 527 SG CYS 1 37 1.577 -7.792 7.350 1.00 0.00 S ATOM 0 H CYS 1 37 3.824 -6.741 3.742 1.00 0.00 H new ATOM 0 HA CYS 1 37 3.784 -6.401 6.686 1.00 0.00 H new ATOM 0 HB2 CYS 1 37 1.899 -7.431 4.988 1.00 0.00 H new ATOM 0 HB3 CYS 1 37 2.739 -8.869 5.533 1.00 0.00 H new ATOM 0 HG CYS 1 37 0.308 -7.903 7.091 1.00 0.00 H new ATOM 532 N PHE 1 38 5.669 -7.920 7.124 1.00 0.00 N ATOM 533 CA PHE 1 38 6.833 -8.745 7.397 1.00 0.00 C ATOM 534 C PHE 1 38 6.424 -10.082 8.018 1.00 0.00 C ATOM 535 O PHE 1 38 5.843 -10.116 9.102 1.00 0.00 O ATOM 536 CB PHE 1 38 7.701 -7.977 8.396 1.00 0.00 C ATOM 537 CG PHE 1 38 9.100 -8.566 8.587 1.00 0.00 C ATOM 538 CD1 PHE 1 38 10.123 -8.161 7.790 1.00 0.00 C ATOM 539 CD2 PHE 1 38 9.320 -9.496 9.555 1.00 0.00 C ATOM 540 CE1 PHE 1 38 11.422 -8.707 7.967 1.00 0.00 C ATOM 541 CE2 PHE 1 38 10.618 -10.044 9.733 1.00 0.00 C ATOM 542 CZ PHE 1 38 11.642 -9.637 8.934 1.00 0.00 C ATOM 0 H PHE 1 38 5.385 -7.315 7.895 1.00 0.00 H new ATOM 0 HA PHE 1 38 7.367 -8.954 6.470 1.00 0.00 H new ATOM 0 HB2 PHE 1 38 7.796 -6.944 8.061 1.00 0.00 H new ATOM 0 HB3 PHE 1 38 7.193 -7.954 9.360 1.00 0.00 H new ATOM 0 HD1 PHE 1 38 9.948 -7.423 7.021 1.00 0.00 H new ATOM 0 HD2 PHE 1 38 8.507 -9.818 10.189 1.00 0.00 H new ATOM 0 HE1 PHE 1 38 12.235 -8.384 7.334 1.00 0.00 H new ATOM 0 HE2 PHE 1 38 10.792 -10.783 10.501 1.00 0.00 H new ATOM 0 HZ PHE 1 38 12.630 -10.053 9.068 1.00 0.00 H new ATOM 552 N ASP 1 39 6.744 -11.152 7.305 1.00 0.00 N ATOM 553 CA ASP 1 39 6.417 -12.488 7.771 1.00 0.00 C ATOM 554 C ASP 1 39 7.485 -12.953 8.764 1.00 0.00 C ATOM 555 O ASP 1 39 7.296 -12.854 9.976 1.00 0.00 O ATOM 556 CB ASP 1 39 6.384 -13.485 6.611 1.00 0.00 C ATOM 557 CG ASP 1 39 6.230 -14.950 7.022 1.00 0.00 C ATOM 558 OD1 ASP 1 39 5.144 -15.281 7.545 1.00 0.00 O ATOM 559 OD2 ASP 1 39 7.200 -15.707 6.803 1.00 0.00 O ATOM 0 H ASP 1 39 7.227 -11.120 6.407 1.00 0.00 H new ATOM 0 HA ASP 1 39 5.434 -12.449 8.240 1.00 0.00 H new ATOM 0 HB2 ASP 1 39 5.560 -13.221 5.948 1.00 0.00 H new ATOM 0 HB3 ASP 1 39 7.303 -13.380 6.035 1.00 0.00 H new ATOM 564 N SER 1 40 8.583 -13.448 8.214 1.00 0.00 N ATOM 565 CA SER 1 40 9.682 -13.928 9.035 1.00 0.00 C ATOM 566 C SER 1 40 9.477 -15.406 9.371 1.00 0.00 C ATOM 567 O SER 1 40 10.412 -16.087 9.789 1.00 0.00 O ATOM 568 CB SER 1 40 9.810 -13.105 10.319 1.00 0.00 C ATOM 569 OG SER 1 40 11.169 -12.933 10.709 1.00 0.00 O ATOM 0 H SER 1 40 8.736 -13.527 7.209 1.00 0.00 H new ATOM 0 HA SER 1 40 10.607 -13.815 8.469 1.00 0.00 H new ATOM 0 HB2 SER 1 40 9.349 -12.128 10.171 1.00 0.00 H new ATOM 0 HB3 SER 1 40 9.262 -13.598 11.122 1.00 0.00 H new ATOM 0 HG SER 1 40 11.641 -13.789 10.636 1.00 0.00 H new ATOM 575 N ARG 1 41 8.247 -15.860 9.175 1.00 0.00 N ATOM 576 CA ARG 1 41 7.908 -17.246 9.452 1.00 0.00 C ATOM 577 C ARG 1 41 8.778 -18.183 8.612 1.00 0.00 C ATOM 578 O ARG 1 41 9.513 -19.007 9.155 1.00 0.00 O ATOM 579 CB ARG 1 41 6.435 -17.523 9.151 1.00 0.00 C ATOM 580 CG ARG 1 41 5.525 -16.799 10.146 1.00 0.00 C ATOM 581 CD ARG 1 41 4.528 -17.769 10.783 1.00 0.00 C ATOM 582 NE ARG 1 41 5.240 -18.717 11.671 1.00 0.00 N ATOM 583 CZ ARG 1 41 4.628 -19.582 12.490 1.00 0.00 C ATOM 584 NH1 ARG 1 41 3.289 -19.627 12.539 1.00 0.00 N ATOM 585 NH2 ARG 1 41 5.354 -20.405 13.259 1.00 0.00 N ATOM 0 H ARG 1 41 7.474 -15.293 8.828 1.00 0.00 H new ATOM 0 HA ARG 1 41 8.091 -17.427 10.511 1.00 0.00 H new ATOM 0 HB2 ARG 1 41 6.201 -17.200 8.137 1.00 0.00 H new ATOM 0 HB3 ARG 1 41 6.247 -18.596 9.195 1.00 0.00 H new ATOM 0 HG2 ARG 1 41 6.129 -16.331 10.923 1.00 0.00 H new ATOM 0 HG3 ARG 1 41 4.986 -16.000 9.637 1.00 0.00 H new ATOM 0 HD2 ARG 1 41 3.782 -17.215 11.353 1.00 0.00 H new ATOM 0 HD3 ARG 1 41 3.994 -18.317 10.006 1.00 0.00 H new ATOM 0 HE ARG 1 41 6.260 -18.711 11.658 1.00 0.00 H new ATOM 0 HH11 ARG 1 41 2.736 -19.002 11.952 1.00 0.00 H new ATOM 0 HH12 ARG 1 41 2.823 -20.286 13.163 1.00 0.00 H new ATOM 0 HH21 ARG 1 41 6.373 -20.373 13.221 1.00 0.00 H new ATOM 0 HH22 ARG 1 41 4.888 -21.064 13.883 1.00 0.00 H new ATOM 599 N ILE 1 42 8.667 -18.026 7.302 1.00 0.00 N ATOM 600 CA ILE 1 42 9.434 -18.849 6.382 1.00 0.00 C ATOM 601 C ILE 1 42 10.533 -17.999 5.740 1.00 0.00 C ATOM 602 O ILE 1 42 10.254 -16.951 5.161 1.00 0.00 O ATOM 603 CB ILE 1 42 8.509 -19.525 5.368 1.00 0.00 C ATOM 604 CG1 ILE 1 42 7.049 -19.438 5.815 1.00 0.00 C ATOM 605 CG2 ILE 1 42 8.944 -20.968 5.105 1.00 0.00 C ATOM 606 CD1 ILE 1 42 6.128 -20.154 4.825 1.00 0.00 C ATOM 0 H ILE 1 42 8.058 -17.341 6.855 1.00 0.00 H new ATOM 0 HA ILE 1 42 9.928 -19.660 6.918 1.00 0.00 H new ATOM 0 HB ILE 1 42 8.588 -18.988 4.423 1.00 0.00 H new ATOM 0 HG12 ILE 1 42 6.941 -19.883 6.804 1.00 0.00 H new ATOM 0 HG13 ILE 1 42 6.753 -18.392 5.901 1.00 0.00 H new ATOM 0 HG21 ILE 1 42 8.270 -21.425 4.381 1.00 0.00 H new ATOM 0 HG22 ILE 1 42 9.960 -20.976 4.710 1.00 0.00 H new ATOM 0 HG23 ILE 1 42 8.913 -21.533 6.037 1.00 0.00 H new ATOM 0 HD11 ILE 1 42 5.096 -20.077 5.167 1.00 0.00 H new ATOM 0 HD12 ILE 1 42 6.220 -19.691 3.842 1.00 0.00 H new ATOM 0 HD13 ILE 1 42 6.411 -21.205 4.759 1.00 0.00 H new ATOM 618 N PRO 1 43 11.793 -18.496 5.870 1.00 0.00 N ATOM 619 CA PRO 1 43 12.935 -17.795 5.309 1.00 0.00 C ATOM 620 C PRO 1 43 12.988 -17.959 3.789 1.00 0.00 C ATOM 621 O PRO 1 43 13.717 -17.239 3.108 1.00 0.00 O ATOM 622 CB PRO 1 43 14.144 -18.388 6.013 1.00 0.00 C ATOM 623 CG PRO 1 43 13.680 -19.712 6.596 1.00 0.00 C ATOM 624 CD PRO 1 43 12.160 -19.736 6.549 1.00 0.00 C ATOM 0 HA PRO 1 43 12.886 -16.718 5.467 1.00 0.00 H new ATOM 0 HB2 PRO 1 43 14.968 -18.536 5.315 1.00 0.00 H new ATOM 0 HB3 PRO 1 43 14.505 -17.722 6.796 1.00 0.00 H new ATOM 0 HG2 PRO 1 43 14.093 -20.545 6.027 1.00 0.00 H new ATOM 0 HG3 PRO 1 43 14.032 -19.821 7.622 1.00 0.00 H new ATOM 0 HD2 PRO 1 43 11.794 -20.608 6.007 1.00 0.00 H new ATOM 0 HD3 PRO 1 43 11.733 -19.781 7.551 1.00 0.00 H new ATOM 632 N GLY 1 44 12.208 -18.912 3.301 1.00 0.00 N ATOM 633 CA GLY 1 44 12.157 -19.181 1.874 1.00 0.00 C ATOM 634 C GLY 1 44 11.072 -18.340 1.196 1.00 0.00 C ATOM 635 O GLY 1 44 10.994 -18.293 -0.031 1.00 0.00 O ATOM 0 H GLY 1 44 11.606 -19.508 3.869 1.00 0.00 H new ATOM 0 HA2 GLY 1 44 13.126 -18.963 1.424 1.00 0.00 H new ATOM 0 HA3 GLY 1 44 11.959 -20.240 1.707 1.00 0.00 H new ATOM 639 N VAL 1 45 10.263 -17.697 2.025 1.00 0.00 N ATOM 640 CA VAL 1 45 9.187 -16.859 1.522 1.00 0.00 C ATOM 641 C VAL 1 45 9.557 -15.388 1.718 1.00 0.00 C ATOM 642 O VAL 1 45 10.526 -15.075 2.407 1.00 0.00 O ATOM 643 CB VAL 1 45 7.868 -17.240 2.198 1.00 0.00 C ATOM 644 CG1 VAL 1 45 7.417 -16.151 3.172 1.00 0.00 C ATOM 645 CG2 VAL 1 45 6.784 -17.530 1.158 1.00 0.00 C ATOM 0 H VAL 1 45 10.331 -17.739 3.042 1.00 0.00 H new ATOM 0 HA VAL 1 45 9.047 -17.018 0.453 1.00 0.00 H new ATOM 0 HB VAL 1 45 8.035 -18.152 2.771 1.00 0.00 H new ATOM 0 HG11 VAL 1 45 6.477 -16.447 3.639 1.00 0.00 H new ATOM 0 HG12 VAL 1 45 8.177 -16.014 3.941 1.00 0.00 H new ATOM 0 HG13 VAL 1 45 7.275 -15.215 2.631 1.00 0.00 H new ATOM 0 HG21 VAL 1 45 5.857 -17.798 1.664 1.00 0.00 H new ATOM 0 HG22 VAL 1 45 6.620 -16.643 0.546 1.00 0.00 H new ATOM 0 HG23 VAL 1 45 7.102 -18.356 0.522 1.00 0.00 H new ATOM 655 N PRO 1 46 8.744 -14.502 1.083 1.00 0.00 N ATOM 656 CA PRO 1 46 8.975 -13.071 1.182 1.00 0.00 C ATOM 657 C PRO 1 46 8.544 -12.538 2.549 1.00 0.00 C ATOM 658 O PRO 1 46 7.359 -12.543 2.877 1.00 0.00 O ATOM 659 CB PRO 1 46 8.185 -12.465 0.033 1.00 0.00 C ATOM 660 CG PRO 1 46 7.173 -13.521 -0.380 1.00 0.00 C ATOM 661 CD PRO 1 46 7.587 -14.837 0.258 1.00 0.00 C ATOM 0 HA PRO 1 46 10.030 -12.810 1.105 1.00 0.00 H new ATOM 0 HB2 PRO 1 46 7.687 -11.547 0.343 1.00 0.00 H new ATOM 0 HB3 PRO 1 46 8.841 -12.206 -0.798 1.00 0.00 H new ATOM 0 HG2 PRO 1 46 6.172 -13.238 -0.056 1.00 0.00 H new ATOM 0 HG3 PRO 1 46 7.142 -13.616 -1.465 1.00 0.00 H new ATOM 0 HD2 PRO 1 46 6.780 -15.257 0.859 1.00 0.00 H new ATOM 0 HD3 PRO 1 46 7.841 -15.580 -0.497 1.00 0.00 H new ATOM 669 N TRP 1 47 9.532 -12.092 3.312 1.00 0.00 N ATOM 670 CA TRP 1 47 9.271 -11.558 4.638 1.00 0.00 C ATOM 671 C TRP 1 47 8.950 -10.069 4.492 1.00 0.00 C ATOM 672 O TRP 1 47 9.207 -9.282 5.403 1.00 0.00 O ATOM 673 CB TRP 1 47 10.446 -11.827 5.579 1.00 0.00 C ATOM 674 CG TRP 1 47 11.511 -12.756 4.995 1.00 0.00 C ATOM 675 CD1 TRP 1 47 11.446 -14.085 4.832 1.00 0.00 C ATOM 676 CD2 TRP 1 47 12.811 -12.371 4.500 1.00 0.00 C ATOM 677 NE1 TRP 1 47 12.604 -14.583 4.271 1.00 0.00 N ATOM 678 CE2 TRP 1 47 13.462 -13.507 4.063 1.00 0.00 C ATOM 679 CE3 TRP 1 47 13.417 -11.105 4.425 1.00 0.00 C ATOM 680 CZ2 TRP 1 47 14.751 -13.491 3.519 1.00 0.00 C ATOM 681 CZ3 TRP 1 47 14.707 -11.106 3.879 1.00 0.00 C ATOM 682 CH2 TRP 1 47 15.375 -12.240 3.435 1.00 0.00 C ATOM 0 H TRP 1 47 10.514 -12.090 3.037 1.00 0.00 H new ATOM 0 HA TRP 1 47 8.415 -12.056 5.093 1.00 0.00 H new ATOM 0 HB2 TRP 1 47 10.912 -10.877 5.842 1.00 0.00 H new ATOM 0 HB3 TRP 1 47 10.066 -12.263 6.503 1.00 0.00 H new ATOM 0 HD1 TRP 1 47 10.594 -14.690 5.105 1.00 0.00 H new ATOM 0 HE1 TRP 1 47 12.796 -15.560 4.049 1.00 0.00 H new ATOM 0 HE3 TRP 1 47 12.927 -10.203 4.762 1.00 0.00 H new ATOM 0 HZ2 TRP 1 47 15.238 -14.394 3.182 1.00 0.00 H new ATOM 0 HZ3 TRP 1 47 15.218 -10.158 3.798 1.00 0.00 H new ATOM 0 HH2 TRP 1 47 16.371 -12.157 3.027 1.00 0.00 H new ATOM 693 N CYS 1 48 8.391 -9.726 3.340 1.00 0.00 N ATOM 694 CA CYS 1 48 8.033 -8.346 3.063 1.00 0.00 C ATOM 695 C CYS 1 48 7.187 -8.315 1.789 1.00 0.00 C ATOM 696 O CYS 1 48 7.723 -8.366 0.683 1.00 0.00 O ATOM 697 CB CYS 1 48 9.269 -7.452 2.950 1.00 0.00 C ATOM 698 SG CYS 1 48 8.940 -5.661 3.128 1.00 0.00 S ATOM 0 H CYS 1 48 8.177 -10.381 2.588 1.00 0.00 H new ATOM 0 HA CYS 1 48 7.451 -7.945 3.893 1.00 0.00 H new ATOM 0 HB2 CYS 1 48 9.988 -7.752 3.712 1.00 0.00 H new ATOM 0 HB3 CYS 1 48 9.739 -7.626 1.982 1.00 0.00 H new ATOM 703 N PHE 1 49 5.879 -8.232 1.986 1.00 0.00 N ATOM 704 CA PHE 1 49 4.955 -8.195 0.866 1.00 0.00 C ATOM 705 C PHE 1 49 3.788 -7.245 1.150 1.00 0.00 C ATOM 706 O PHE 1 49 3.807 -6.512 2.138 1.00 0.00 O ATOM 707 CB PHE 1 49 4.410 -9.612 0.687 1.00 0.00 C ATOM 708 CG PHE 1 49 4.273 -10.396 1.995 1.00 0.00 C ATOM 709 CD1 PHE 1 49 5.382 -10.721 2.712 1.00 0.00 C ATOM 710 CD2 PHE 1 49 3.043 -10.767 2.440 1.00 0.00 C ATOM 711 CE1 PHE 1 49 5.256 -11.448 3.925 1.00 0.00 C ATOM 712 CE2 PHE 1 49 2.916 -11.494 3.653 1.00 0.00 C ATOM 713 CZ PHE 1 49 4.025 -11.819 4.370 1.00 0.00 C ATOM 0 H PHE 1 49 5.438 -8.189 2.905 1.00 0.00 H new ATOM 0 HA PHE 1 49 5.469 -7.841 -0.028 1.00 0.00 H new ATOM 0 HB2 PHE 1 49 3.434 -9.557 0.205 1.00 0.00 H new ATOM 0 HB3 PHE 1 49 5.068 -10.161 0.013 1.00 0.00 H new ATOM 0 HD1 PHE 1 49 6.359 -10.426 2.359 1.00 0.00 H new ATOM 0 HD2 PHE 1 49 2.162 -10.509 1.871 1.00 0.00 H new ATOM 0 HE1 PHE 1 49 6.137 -11.706 4.494 1.00 0.00 H new ATOM 0 HE2 PHE 1 49 1.939 -11.789 4.006 1.00 0.00 H new ATOM 0 HZ PHE 1 49 3.928 -12.372 5.293 1.00 0.00 H new ATOM 723 N LYS 1 50 2.803 -7.288 0.265 1.00 0.00 N ATOM 724 CA LYS 1 50 1.631 -6.442 0.408 1.00 0.00 C ATOM 725 C LYS 1 50 0.385 -7.320 0.535 1.00 0.00 C ATOM 726 O LYS 1 50 -0.440 -7.369 -0.376 1.00 0.00 O ATOM 727 CB LYS 1 50 1.558 -5.431 -0.739 1.00 0.00 C ATOM 728 CG LYS 1 50 2.694 -5.653 -1.739 1.00 0.00 C ATOM 729 CD LYS 1 50 3.988 -4.997 -1.251 1.00 0.00 C ATOM 730 CE LYS 1 50 3.735 -3.559 -0.793 1.00 0.00 C ATOM 731 NZ LYS 1 50 2.826 -2.867 -1.733 1.00 0.00 N ATOM 0 H LYS 1 50 2.793 -7.896 -0.554 1.00 0.00 H new ATOM 0 HA LYS 1 50 1.697 -5.850 1.321 1.00 0.00 H new ATOM 0 HB2 LYS 1 50 0.598 -5.522 -1.248 1.00 0.00 H new ATOM 0 HB3 LYS 1 50 1.613 -4.418 -0.340 1.00 0.00 H new ATOM 0 HG2 LYS 1 50 2.855 -6.722 -1.881 1.00 0.00 H new ATOM 0 HG3 LYS 1 50 2.416 -5.240 -2.709 1.00 0.00 H new ATOM 0 HD2 LYS 1 50 4.406 -5.576 -0.428 1.00 0.00 H new ATOM 0 HD3 LYS 1 50 4.727 -5.003 -2.052 1.00 0.00 H new ATOM 0 HE2 LYS 1 50 3.301 -3.561 0.207 1.00 0.00 H new ATOM 0 HE3 LYS 1 50 4.680 -3.020 -0.729 1.00 0.00 H new ATOM 0 HZ1 LYS 1 50 2.584 -1.929 -1.355 1.00 0.00 H new ATOM 0 HZ2 LYS 1 50 3.296 -2.759 -2.654 1.00 0.00 H new ATOM 0 HZ3 LYS 1 50 1.957 -3.427 -1.851 1.00 0.00 H new ATOM 745 N PRO 1 51 0.285 -8.010 1.703 1.00 0.00 N ATOM 746 CA PRO 1 51 -0.847 -8.884 1.961 1.00 0.00 C ATOM 747 C PRO 1 51 -2.102 -8.073 2.292 1.00 0.00 C ATOM 748 O PRO 1 51 -2.797 -7.603 1.393 1.00 0.00 O ATOM 749 CB PRO 1 51 -0.399 -9.779 3.104 1.00 0.00 C ATOM 750 CG PRO 1 51 0.781 -9.073 3.751 1.00 0.00 C ATOM 751 CD PRO 1 51 1.243 -7.976 2.805 1.00 0.00 C ATOM 0 HA PRO 1 51 -1.126 -9.480 1.092 1.00 0.00 H new ATOM 0 HB2 PRO 1 51 -1.206 -9.928 3.822 1.00 0.00 H new ATOM 0 HB3 PRO 1 51 -0.111 -10.765 2.738 1.00 0.00 H new ATOM 0 HG2 PRO 1 51 0.492 -8.651 4.713 1.00 0.00 H new ATOM 0 HG3 PRO 1 51 1.590 -9.778 3.942 1.00 0.00 H new ATOM 0 HD2 PRO 1 51 1.246 -7.004 3.297 1.00 0.00 H new ATOM 0 HD3 PRO 1 51 2.258 -8.158 2.453 1.00 0.00 H new ATOM 759 N LEU 1 52 -2.352 -7.933 3.585 1.00 0.00 N ATOM 760 CA LEU 1 52 -3.511 -7.187 4.047 1.00 0.00 C ATOM 761 C LEU 1 52 -3.103 -5.739 4.321 1.00 0.00 C ATOM 762 O LEU 1 52 -3.648 -5.096 5.217 1.00 0.00 O ATOM 763 CB LEU 1 52 -4.153 -7.884 5.249 1.00 0.00 C ATOM 764 CG LEU 1 52 -3.810 -7.303 6.622 1.00 0.00 C ATOM 765 CD1 LEU 1 52 -4.908 -6.354 7.107 1.00 0.00 C ATOM 766 CD2 LEU 1 52 -3.528 -8.416 7.633 1.00 0.00 C ATOM 0 H LEU 1 52 -1.772 -8.323 4.328 1.00 0.00 H new ATOM 0 HA LEU 1 52 -4.280 -7.161 3.275 1.00 0.00 H new ATOM 0 HB2 LEU 1 52 -5.236 -7.856 5.125 1.00 0.00 H new ATOM 0 HB3 LEU 1 52 -3.858 -8.933 5.236 1.00 0.00 H new ATOM 0 HG LEU 1 52 -2.897 -6.716 6.525 1.00 0.00 H new ATOM 0 HD11 LEU 1 52 -4.639 -5.955 8.085 1.00 0.00 H new ATOM 0 HD12 LEU 1 52 -5.018 -5.533 6.399 1.00 0.00 H new ATOM 0 HD13 LEU 1 52 -5.850 -6.897 7.183 1.00 0.00 H new ATOM 0 HD21 LEU 1 52 -3.287 -7.976 8.601 1.00 0.00 H new ATOM 0 HD22 LEU 1 52 -4.409 -9.050 7.732 1.00 0.00 H new ATOM 0 HD23 LEU 1 52 -2.686 -9.017 7.288 1.00 0.00 H new ATOM 778 N GLN 1 53 -2.149 -5.267 3.533 1.00 0.00 N ATOM 779 CA GLN 1 53 -1.661 -3.906 3.679 1.00 0.00 C ATOM 780 C GLN 1 53 -2.830 -2.918 3.659 1.00 0.00 C ATOM 781 O GLN 1 53 -2.714 -1.803 4.162 1.00 0.00 O ATOM 782 CB GLN 1 53 -0.639 -3.569 2.593 1.00 0.00 C ATOM 783 CG GLN 1 53 0.597 -4.464 2.706 1.00 0.00 C ATOM 784 CD GLN 1 53 1.248 -4.328 4.084 1.00 0.00 C ATOM 785 OE1 GLN 1 53 1.613 -5.299 4.724 1.00 0.00 O ATOM 786 NE2 GLN 1 53 1.370 -3.071 4.502 1.00 0.00 N ATOM 0 H GLN 1 53 -1.700 -5.803 2.790 1.00 0.00 H new ATOM 0 HA GLN 1 53 -1.157 -3.823 4.642 1.00 0.00 H new ATOM 0 HB2 GLN 1 53 -1.093 -3.693 1.610 1.00 0.00 H new ATOM 0 HB3 GLN 1 53 -0.344 -2.523 2.678 1.00 0.00 H new ATOM 0 HG2 GLN 1 53 0.315 -5.503 2.534 1.00 0.00 H new ATOM 0 HG3 GLN 1 53 1.316 -4.196 1.932 1.00 0.00 H new ATOM 0 HE21 GLN 1 53 1.043 -2.304 3.915 1.00 0.00 H new ATOM 0 HE22 GLN 1 53 1.791 -2.874 5.410 1.00 0.00 H new ATOM 795 N GLU 1 54 -3.930 -3.365 3.070 1.00 0.00 N ATOM 796 CA GLU 1 54 -5.118 -2.535 2.977 1.00 0.00 C ATOM 797 C GLU 1 54 -5.311 -1.735 4.267 1.00 0.00 C ATOM 798 O GLU 1 54 -5.878 -0.645 4.247 1.00 0.00 O ATOM 799 CB GLU 1 54 -6.355 -3.381 2.666 1.00 0.00 C ATOM 800 CG GLU 1 54 -6.989 -3.917 3.951 1.00 0.00 C ATOM 801 CD GLU 1 54 -8.025 -2.934 4.502 1.00 0.00 C ATOM 802 OE1 GLU 1 54 -9.162 -2.956 3.982 1.00 0.00 O ATOM 803 OE2 GLU 1 54 -7.657 -2.181 5.430 1.00 0.00 O ATOM 0 H GLU 1 54 -4.023 -4.291 2.653 1.00 0.00 H new ATOM 0 HA GLU 1 54 -4.982 -1.832 2.155 1.00 0.00 H new ATOM 0 HB2 GLU 1 54 -7.083 -2.781 2.120 1.00 0.00 H new ATOM 0 HB3 GLU 1 54 -6.078 -4.213 2.018 1.00 0.00 H new ATOM 0 HG2 GLU 1 54 -7.463 -4.878 3.753 1.00 0.00 H new ATOM 0 HG3 GLU 1 54 -6.214 -4.091 4.698 1.00 0.00 H new ATOM 810 N ALA 1 55 -4.827 -2.310 5.358 1.00 0.00 N ATOM 811 CA ALA 1 55 -4.937 -1.664 6.655 1.00 0.00 C ATOM 812 C ALA 1 55 -4.827 -0.148 6.477 1.00 0.00 C ATOM 813 O ALA 1 55 -5.798 0.576 6.687 1.00 0.00 O ATOM 814 CB ALA 1 55 -3.866 -2.220 7.595 1.00 0.00 C ATOM 0 H ALA 1 55 -4.358 -3.216 5.371 1.00 0.00 H new ATOM 0 HA ALA 1 55 -5.907 -1.873 7.106 1.00 0.00 H new ATOM 0 HB1 ALA 1 55 -3.949 -1.735 8.568 1.00 0.00 H new ATOM 0 HB2 ALA 1 55 -4.007 -3.295 7.712 1.00 0.00 H new ATOM 0 HB3 ALA 1 55 -2.878 -2.027 7.176 1.00 0.00 H new ATOM 820 N GLU 1 56 -3.636 0.285 6.092 1.00 0.00 N ATOM 821 CA GLU 1 56 -3.387 1.700 5.883 1.00 0.00 C ATOM 822 C GLU 1 56 -2.570 1.913 4.606 1.00 0.00 C ATOM 823 O GLU 1 56 -1.870 2.916 4.473 1.00 0.00 O ATOM 824 CB GLU 1 56 -2.682 2.318 7.093 1.00 0.00 C ATOM 825 CG GLU 1 56 -3.698 2.829 8.117 1.00 0.00 C ATOM 826 CD GLU 1 56 -3.186 2.628 9.545 1.00 0.00 C ATOM 827 OE1 GLU 1 56 -3.113 1.453 9.962 1.00 0.00 O ATOM 828 OE2 GLU 1 56 -2.880 3.656 10.186 1.00 0.00 O ATOM 0 H GLU 1 56 -2.833 -0.320 5.919 1.00 0.00 H new ATOM 0 HA GLU 1 56 -4.347 2.204 5.766 1.00 0.00 H new ATOM 0 HB2 GLU 1 56 -2.033 1.576 7.558 1.00 0.00 H new ATOM 0 HB3 GLU 1 56 -2.044 3.140 6.767 1.00 0.00 H new ATOM 0 HG2 GLU 1 56 -3.894 3.887 7.943 1.00 0.00 H new ATOM 0 HG3 GLU 1 56 -4.644 2.304 7.989 1.00 0.00 H new ATOM 835 N CYS 1 57 -2.688 0.954 3.700 1.00 0.00 N ATOM 836 CA CYS 1 57 -1.970 1.023 2.439 1.00 0.00 C ATOM 837 C CYS 1 57 -2.968 1.382 1.337 1.00 0.00 C ATOM 838 O CYS 1 57 -2.727 2.298 0.551 1.00 0.00 O ATOM 839 CB CYS 1 57 -1.230 -0.281 2.136 1.00 0.00 C ATOM 840 SG CYS 1 57 0.250 -0.097 1.076 1.00 0.00 S ATOM 0 H CYS 1 57 -3.270 0.124 3.814 1.00 0.00 H new ATOM 0 HA CYS 1 57 -1.202 1.794 2.498 1.00 0.00 H new ATOM 0 HB2 CYS 1 57 -0.930 -0.739 3.078 1.00 0.00 H new ATOM 0 HB3 CYS 1 57 -1.922 -0.971 1.653 1.00 0.00 H new ATOM 845 N THR 1 58 -4.067 0.644 1.315 1.00 0.00 N ATOM 846 CA THR 1 58 -5.104 0.873 0.322 1.00 0.00 C ATOM 847 C THR 1 58 -5.962 2.076 0.715 1.00 0.00 C ATOM 848 O THR 1 58 -6.344 2.876 -0.137 1.00 0.00 O ATOM 849 CB THR 1 58 -5.904 -0.421 0.167 1.00 0.00 C ATOM 850 OG1 THR 1 58 -6.507 -0.305 -1.118 1.00 0.00 O ATOM 851 CG2 THR 1 58 -7.091 -0.494 1.131 1.00 0.00 C ATOM 0 H THR 1 58 -4.263 -0.114 1.969 1.00 0.00 H new ATOM 0 HA THR 1 58 -4.675 1.124 -0.648 1.00 0.00 H new ATOM 0 HB THR 1 58 -5.248 -1.275 0.333 1.00 0.00 H new ATOM 0 HG1 THR 1 58 -7.272 -0.915 -1.177 1.00 0.00 H new ATOM 0 HG21 THR 1 58 -7.625 -1.432 0.980 1.00 0.00 H new ATOM 0 HG22 THR 1 58 -6.729 -0.444 2.158 1.00 0.00 H new ATOM 0 HG23 THR 1 58 -7.765 0.342 0.942 1.00 0.00 H new ATOM 859 N PHE 1 59 -6.241 2.167 2.008 1.00 0.00 N ATOM 860 CA PHE 1 59 -7.047 3.259 2.525 1.00 0.00 C ATOM 861 C PHE 1 59 -6.791 4.548 1.742 1.00 0.00 C ATOM 862 O PHE 1 59 -7.731 5.240 1.355 1.00 0.00 O ATOM 863 CB PHE 1 59 -6.634 3.470 3.982 1.00 0.00 C ATOM 864 CG PHE 1 59 -7.570 4.389 4.768 1.00 0.00 C ATOM 865 CD1 PHE 1 59 -8.843 3.993 5.039 1.00 0.00 C ATOM 866 CD2 PHE 1 59 -7.130 5.602 5.198 1.00 0.00 C ATOM 867 CE1 PHE 1 59 -9.712 4.845 5.769 1.00 0.00 C ATOM 868 CE2 PHE 1 59 -8.001 6.455 5.927 1.00 0.00 C ATOM 869 CZ PHE 1 59 -9.273 6.059 6.198 1.00 0.00 C ATOM 0 H PHE 1 59 -5.923 1.502 2.712 1.00 0.00 H new ATOM 0 HA PHE 1 59 -8.105 3.015 2.434 1.00 0.00 H new ATOM 0 HB2 PHE 1 59 -6.590 2.501 4.480 1.00 0.00 H new ATOM 0 HB3 PHE 1 59 -5.627 3.887 4.007 1.00 0.00 H new ATOM 0 HD1 PHE 1 59 -9.193 3.030 4.698 1.00 0.00 H new ATOM 0 HD2 PHE 1 59 -6.119 5.916 4.985 1.00 0.00 H new ATOM 0 HE1 PHE 1 59 -10.722 4.529 5.984 1.00 0.00 H new ATOM 0 HE2 PHE 1 59 -7.652 7.419 6.266 1.00 0.00 H new ATOM 0 HZ PHE 1 59 -9.934 6.708 6.753 1.00 0.00 H new TER 879 PHE 1 59 ATOM 880 N GLU 2 1 -18.290 -5.089 -0.605 1.00 0.00 N ATOM 881 CA GLU 2 1 -18.329 -3.708 -0.154 1.00 0.00 C ATOM 882 C GLU 2 1 -18.281 -2.757 -1.353 1.00 0.00 C ATOM 883 O GLU 2 1 -17.832 -3.136 -2.433 1.00 0.00 O ATOM 884 CB GLU 2 1 -17.187 -3.418 0.822 1.00 0.00 C ATOM 885 CG GLU 2 1 -17.725 -2.869 2.146 1.00 0.00 C ATOM 886 CD GLU 2 1 -17.551 -3.890 3.273 1.00 0.00 C ATOM 887 OE1 GLU 2 1 -18.060 -5.018 3.100 1.00 0.00 O ATOM 888 OE2 GLU 2 1 -16.912 -3.518 4.281 1.00 0.00 O ATOM 0 H1 GLU 2 1 -17.874 -5.685 0.139 1.00 0.00 H new ATOM 0 H2 GLU 2 1 -19.256 -5.415 -0.810 1.00 0.00 H new ATOM 0 H3 GLU 2 1 -17.712 -5.157 -1.467 1.00 0.00 H new ATOM 0 HA GLU 2 1 -19.267 -3.545 0.377 1.00 0.00 H new ATOM 0 HB2 GLU 2 1 -16.620 -4.331 1.006 1.00 0.00 H new ATOM 0 HB3 GLU 2 1 -16.498 -2.699 0.379 1.00 0.00 H new ATOM 0 HG2 GLU 2 1 -17.202 -1.947 2.401 1.00 0.00 H new ATOM 0 HG3 GLU 2 1 -18.780 -2.617 2.038 1.00 0.00 H new ATOM 895 N GLU 2 2 -18.750 -1.539 -1.120 1.00 0.00 N ATOM 896 CA GLU 2 2 -18.767 -0.532 -2.167 1.00 0.00 C ATOM 897 C GLU 2 2 -17.411 0.174 -2.245 1.00 0.00 C ATOM 898 O GLU 2 2 -17.287 1.334 -1.853 1.00 0.00 O ATOM 899 CB GLU 2 2 -19.897 0.474 -1.942 1.00 0.00 C ATOM 900 CG GLU 2 2 -21.243 -0.107 -2.376 1.00 0.00 C ATOM 901 CD GLU 2 2 -22.149 -0.358 -1.168 1.00 0.00 C ATOM 902 OE1 GLU 2 2 -22.637 0.647 -0.607 1.00 0.00 O ATOM 903 OE2 GLU 2 2 -22.331 -1.548 -0.833 1.00 0.00 O ATOM 0 H GLU 2 2 -19.121 -1.228 -0.222 1.00 0.00 H new ATOM 0 HA GLU 2 2 -18.952 -1.028 -3.120 1.00 0.00 H new ATOM 0 HB2 GLU 2 2 -19.939 0.750 -0.888 1.00 0.00 H new ATOM 0 HB3 GLU 2 2 -19.693 1.386 -2.502 1.00 0.00 H new ATOM 0 HG2 GLU 2 2 -21.734 0.579 -3.066 1.00 0.00 H new ATOM 0 HG3 GLU 2 2 -21.083 -1.041 -2.915 1.00 0.00 H new ATOM 910 N TYR 2 3 -16.429 -0.555 -2.753 1.00 0.00 N ATOM 911 CA TYR 2 3 -15.087 -0.014 -2.887 1.00 0.00 C ATOM 912 C TYR 2 3 -14.928 0.733 -4.214 1.00 0.00 C ATOM 913 O TYR 2 3 -14.338 0.209 -5.157 1.00 0.00 O ATOM 914 CB TYR 2 3 -14.143 -1.217 -2.876 1.00 0.00 C ATOM 915 CG TYR 2 3 -13.610 -1.577 -1.488 1.00 0.00 C ATOM 916 CD1 TYR 2 3 -12.842 -0.669 -0.787 1.00 0.00 C ATOM 917 CD2 TYR 2 3 -13.896 -2.809 -0.936 1.00 0.00 C ATOM 918 CE1 TYR 2 3 -12.340 -1.007 0.519 1.00 0.00 C ATOM 919 CE2 TYR 2 3 -13.395 -3.148 0.370 1.00 0.00 C ATOM 920 CZ TYR 2 3 -12.641 -2.230 1.034 1.00 0.00 C ATOM 921 OH TYR 2 3 -12.167 -2.550 2.268 1.00 0.00 O ATOM 0 H TYR 2 3 -16.536 -1.516 -3.077 1.00 0.00 H new ATOM 0 HA TYR 2 3 -14.875 0.690 -2.082 1.00 0.00 H new ATOM 0 HB2 TYR 2 3 -14.666 -2.080 -3.288 1.00 0.00 H new ATOM 0 HB3 TYR 2 3 -13.300 -1.010 -3.535 1.00 0.00 H new ATOM 0 HD1 TYR 2 3 -12.618 0.295 -1.219 1.00 0.00 H new ATOM 0 HD2 TYR 2 3 -14.496 -3.520 -1.485 1.00 0.00 H new ATOM 0 HE1 TYR 2 3 -11.738 -0.306 1.078 1.00 0.00 H new ATOM 0 HE2 TYR 2 3 -13.612 -4.109 0.813 1.00 0.00 H new ATOM 0 HH TYR 2 3 -12.462 -3.453 2.507 1.00 0.00 H new ATOM 931 N VAL 2 4 -15.463 1.945 -4.243 1.00 0.00 N ATOM 932 CA VAL 2 4 -15.387 2.768 -5.438 1.00 0.00 C ATOM 933 C VAL 2 4 -14.576 4.028 -5.132 1.00 0.00 C ATOM 934 O VAL 2 4 -13.628 4.349 -5.848 1.00 0.00 O ATOM 935 CB VAL 2 4 -16.795 3.073 -5.953 1.00 0.00 C ATOM 936 CG1 VAL 2 4 -17.555 1.783 -6.268 1.00 0.00 C ATOM 937 CG2 VAL 2 4 -17.570 3.936 -4.955 1.00 0.00 C ATOM 0 H VAL 2 4 -15.951 2.377 -3.458 1.00 0.00 H new ATOM 0 HA VAL 2 4 -14.872 2.236 -6.237 1.00 0.00 H new ATOM 0 HB VAL 2 4 -16.697 3.639 -6.879 1.00 0.00 H new ATOM 0 HG11 VAL 2 4 -18.553 2.028 -6.632 1.00 0.00 H new ATOM 0 HG12 VAL 2 4 -17.018 1.221 -7.032 1.00 0.00 H new ATOM 0 HG13 VAL 2 4 -17.637 1.179 -5.364 1.00 0.00 H new ATOM 0 HG21 VAL 2 4 -18.567 4.138 -5.346 1.00 0.00 H new ATOM 0 HG22 VAL 2 4 -17.653 3.408 -4.005 1.00 0.00 H new ATOM 0 HG23 VAL 2 4 -17.043 4.878 -4.802 1.00 0.00 H new ATOM 947 N GLY 2 5 -14.978 4.710 -4.070 1.00 0.00 N ATOM 948 CA GLY 2 5 -14.301 5.928 -3.661 1.00 0.00 C ATOM 949 C GLY 2 5 -12.921 5.618 -3.077 1.00 0.00 C ATOM 950 O GLY 2 5 -12.205 6.524 -2.653 1.00 0.00 O ATOM 0 H GLY 2 5 -15.765 4.442 -3.480 1.00 0.00 H new ATOM 0 HA2 GLY 2 5 -14.196 6.595 -4.517 1.00 0.00 H new ATOM 0 HA3 GLY 2 5 -14.904 6.452 -2.920 1.00 0.00 H new ATOM 954 N LEU 2 6 -12.589 4.336 -3.074 1.00 0.00 N ATOM 955 CA LEU 2 6 -11.307 3.896 -2.549 1.00 0.00 C ATOM 956 C LEU 2 6 -10.641 2.960 -3.561 1.00 0.00 C ATOM 957 O LEU 2 6 -9.628 2.333 -3.258 1.00 0.00 O ATOM 958 CB LEU 2 6 -11.481 3.277 -1.161 1.00 0.00 C ATOM 959 CG LEU 2 6 -12.802 3.581 -0.452 1.00 0.00 C ATOM 960 CD1 LEU 2 6 -13.966 2.856 -1.132 1.00 0.00 C ATOM 961 CD2 LEU 2 6 -12.714 3.249 1.039 1.00 0.00 C ATOM 0 H LEU 2 6 -13.185 3.587 -3.427 1.00 0.00 H new ATOM 0 HA LEU 2 6 -10.639 4.746 -2.412 1.00 0.00 H new ATOM 0 HB2 LEU 2 6 -11.381 2.195 -1.252 1.00 0.00 H new ATOM 0 HB3 LEU 2 6 -10.664 3.620 -0.527 1.00 0.00 H new ATOM 0 HG LEU 2 6 -12.995 4.651 -0.532 1.00 0.00 H new ATOM 0 HD11 LEU 2 6 -14.894 3.088 -0.610 1.00 0.00 H new ATOM 0 HD12 LEU 2 6 -14.042 3.183 -2.169 1.00 0.00 H new ATOM 0 HD13 LEU 2 6 -13.792 1.780 -1.102 1.00 0.00 H new ATOM 0 HD21 LEU 2 6 -13.666 3.475 1.519 1.00 0.00 H new ATOM 0 HD22 LEU 2 6 -12.487 2.190 1.163 1.00 0.00 H new ATOM 0 HD23 LEU 2 6 -11.926 3.845 1.499 1.00 0.00 H new ATOM 973 N SER 2 7 -11.239 2.895 -4.742 1.00 0.00 N ATOM 974 CA SER 2 7 -10.716 2.046 -5.799 1.00 0.00 C ATOM 975 C SER 2 7 -10.069 2.905 -6.888 1.00 0.00 C ATOM 976 O SER 2 7 -9.806 4.087 -6.675 1.00 0.00 O ATOM 977 CB SER 2 7 -11.818 1.171 -6.399 1.00 0.00 C ATOM 978 OG SER 2 7 -11.623 -0.210 -6.106 1.00 0.00 O ATOM 0 H SER 2 7 -12.080 3.416 -4.990 1.00 0.00 H new ATOM 0 HA SER 2 7 -9.962 1.388 -5.367 1.00 0.00 H new ATOM 0 HB2 SER 2 7 -12.786 1.491 -6.012 1.00 0.00 H new ATOM 0 HB3 SER 2 7 -11.845 1.312 -7.480 1.00 0.00 H new ATOM 0 HG SER 2 7 -12.433 -0.574 -5.690 1.00 0.00 H new ATOM 984 N ALA 2 8 -9.831 2.276 -8.029 1.00 0.00 N ATOM 985 CA ALA 2 8 -9.220 2.968 -9.151 1.00 0.00 C ATOM 986 C ALA 2 8 -10.087 4.168 -9.538 1.00 0.00 C ATOM 987 O ALA 2 8 -10.931 4.068 -10.426 1.00 0.00 O ATOM 988 CB ALA 2 8 -9.029 1.988 -10.312 1.00 0.00 C ATOM 0 H ALA 2 8 -10.050 1.295 -8.201 1.00 0.00 H new ATOM 0 HA ALA 2 8 -8.235 3.347 -8.878 1.00 0.00 H new ATOM 0 HB1 ALA 2 8 -8.571 2.506 -11.154 1.00 0.00 H new ATOM 0 HB2 ALA 2 8 -8.383 1.169 -9.995 1.00 0.00 H new ATOM 0 HB3 ALA 2 8 -9.997 1.589 -10.615 1.00 0.00 H new ATOM 994 N ASN 2 9 -9.847 5.276 -8.851 1.00 0.00 N ATOM 995 CA ASN 2 9 -10.594 6.494 -9.112 1.00 0.00 C ATOM 996 C ASN 2 9 -10.369 7.481 -7.964 1.00 0.00 C ATOM 997 O ASN 2 9 -10.403 8.693 -8.167 1.00 0.00 O ATOM 998 CB ASN 2 9 -12.096 6.210 -9.204 1.00 0.00 C ATOM 999 CG ASN 2 9 -12.906 7.504 -9.090 1.00 0.00 C ATOM 1000 OD1 ASN 2 9 -13.916 7.576 -8.411 1.00 0.00 O ATOM 1001 ND2 ASN 2 9 -12.407 8.517 -9.792 1.00 0.00 N ATOM 0 H ASN 2 9 -9.146 5.355 -8.114 1.00 0.00 H new ATOM 0 HA ASN 2 9 -10.246 6.907 -10.059 1.00 0.00 H new ATOM 0 HB2 ASN 2 9 -12.320 5.719 -10.151 1.00 0.00 H new ATOM 0 HB3 ASN 2 9 -12.389 5.522 -8.411 1.00 0.00 H new ATOM 0 HD21 ASN 2 9 -12.875 9.423 -9.783 1.00 0.00 H new ATOM 0 HD22 ASN 2 9 -11.556 8.388 -10.340 1.00 0.00 H new ATOM 1008 N GLN 2 10 -10.143 6.924 -6.783 1.00 0.00 N ATOM 1009 CA GLN 2 10 -9.913 7.739 -5.603 1.00 0.00 C ATOM 1010 C GLN 2 10 -8.598 8.511 -5.740 1.00 0.00 C ATOM 1011 O GLN 2 10 -8.463 9.612 -5.207 1.00 0.00 O ATOM 1012 CB GLN 2 10 -9.916 6.883 -4.336 1.00 0.00 C ATOM 1013 CG GLN 2 10 -9.885 7.759 -3.082 1.00 0.00 C ATOM 1014 CD GLN 2 10 -9.813 6.903 -1.816 1.00 0.00 C ATOM 1015 OE1 GLN 2 10 -10.580 7.065 -0.881 1.00 0.00 O ATOM 1016 NE2 GLN 2 10 -8.850 5.985 -1.838 1.00 0.00 N ATOM 0 H GLN 2 10 -10.114 5.918 -6.618 1.00 0.00 H new ATOM 0 HA GLN 2 10 -10.728 8.458 -5.518 1.00 0.00 H new ATOM 0 HB2 GLN 2 10 -10.805 6.252 -4.321 1.00 0.00 H new ATOM 0 HB3 GLN 2 10 -9.053 6.218 -4.340 1.00 0.00 H new ATOM 0 HG2 GLN 2 10 -9.025 8.428 -3.122 1.00 0.00 H new ATOM 0 HG3 GLN 2 10 -10.776 8.387 -3.051 1.00 0.00 H new ATOM 0 HE21 GLN 2 10 -8.242 5.903 -2.653 1.00 0.00 H new ATOM 0 HE22 GLN 2 10 -8.720 5.364 -1.040 1.00 0.00 H new ATOM 1025 N CYS 2 11 -7.665 7.904 -6.458 1.00 0.00 N ATOM 1026 CA CYS 2 11 -6.367 8.521 -6.672 1.00 0.00 C ATOM 1027 C CYS 2 11 -6.569 9.788 -7.506 1.00 0.00 C ATOM 1028 O CYS 2 11 -5.629 10.556 -7.713 1.00 0.00 O ATOM 1029 CB CYS 2 11 -5.383 7.554 -7.334 1.00 0.00 C ATOM 1030 SG CYS 2 11 -3.753 8.278 -7.741 1.00 0.00 S ATOM 0 H CYS 2 11 -7.782 6.992 -6.899 1.00 0.00 H new ATOM 0 HA CYS 2 11 -5.925 8.785 -5.711 1.00 0.00 H new ATOM 0 HB2 CYS 2 11 -5.231 6.702 -6.671 1.00 0.00 H new ATOM 0 HB3 CYS 2 11 -5.833 7.170 -8.249 1.00 0.00 H new ATOM 1035 N ALA 2 12 -7.799 9.969 -7.962 1.00 0.00 N ATOM 1036 CA ALA 2 12 -8.136 11.130 -8.768 1.00 0.00 C ATOM 1037 C ALA 2 12 -9.005 12.082 -7.945 1.00 0.00 C ATOM 1038 O ALA 2 12 -9.616 13.000 -8.490 1.00 0.00 O ATOM 1039 CB ALA 2 12 -8.829 10.675 -10.055 1.00 0.00 C ATOM 0 H ALA 2 12 -8.575 9.331 -7.789 1.00 0.00 H new ATOM 0 HA ALA 2 12 -7.235 11.671 -9.056 1.00 0.00 H new ATOM 0 HB1 ALA 2 12 -9.082 11.546 -10.660 1.00 0.00 H new ATOM 0 HB2 ALA 2 12 -8.160 10.024 -10.618 1.00 0.00 H new ATOM 0 HB3 ALA 2 12 -9.739 10.130 -9.805 1.00 0.00 H new ATOM 1045 N VAL 2 13 -9.033 11.832 -6.644 1.00 0.00 N ATOM 1046 CA VAL 2 13 -9.817 12.657 -5.740 1.00 0.00 C ATOM 1047 C VAL 2 13 -9.679 14.125 -6.145 1.00 0.00 C ATOM 1048 O VAL 2 13 -8.754 14.488 -6.872 1.00 0.00 O ATOM 1049 CB VAL 2 13 -9.394 12.394 -4.293 1.00 0.00 C ATOM 1050 CG1 VAL 2 13 -8.720 13.626 -3.687 1.00 0.00 C ATOM 1051 CG2 VAL 2 13 -10.586 11.948 -3.446 1.00 0.00 C ATOM 0 H VAL 2 13 -8.526 11.070 -6.194 1.00 0.00 H new ATOM 0 HA VAL 2 13 -10.874 12.400 -5.808 1.00 0.00 H new ATOM 0 HB VAL 2 13 -8.666 11.583 -4.299 1.00 0.00 H new ATOM 0 HG11 VAL 2 13 -8.429 13.413 -2.658 1.00 0.00 H new ATOM 0 HG12 VAL 2 13 -7.834 13.880 -4.269 1.00 0.00 H new ATOM 0 HG13 VAL 2 13 -9.416 14.465 -3.701 1.00 0.00 H new ATOM 0 HG21 VAL 2 13 -10.258 11.768 -2.422 1.00 0.00 H new ATOM 0 HG22 VAL 2 13 -11.348 12.728 -3.451 1.00 0.00 H new ATOM 0 HG23 VAL 2 13 -11.003 11.030 -3.860 1.00 0.00 H new ATOM 1061 N PRO 2 14 -10.636 14.952 -5.646 1.00 0.00 N ATOM 1062 CA PRO 2 14 -10.630 16.372 -5.950 1.00 0.00 C ATOM 1063 C PRO 2 14 -9.540 17.098 -5.157 1.00 0.00 C ATOM 1064 O PRO 2 14 -9.682 18.277 -4.835 1.00 0.00 O ATOM 1065 CB PRO 2 14 -12.031 16.854 -5.610 1.00 0.00 C ATOM 1066 CG PRO 2 14 -12.626 15.793 -4.698 1.00 0.00 C ATOM 1067 CD PRO 2 14 -11.745 14.557 -4.783 1.00 0.00 C ATOM 0 HA PRO 2 14 -10.395 16.577 -6.994 1.00 0.00 H new ATOM 0 HB2 PRO 2 14 -12.001 17.824 -5.113 1.00 0.00 H new ATOM 0 HB3 PRO 2 14 -12.632 16.976 -6.511 1.00 0.00 H new ATOM 0 HG2 PRO 2 14 -12.676 16.156 -3.672 1.00 0.00 H new ATOM 0 HG3 PRO 2 14 -13.646 15.557 -5.002 1.00 0.00 H new ATOM 0 HD2 PRO 2 14 -11.392 14.254 -3.797 1.00 0.00 H new ATOM 0 HD3 PRO 2 14 -12.290 13.710 -5.201 1.00 0.00 H new ATOM 1075 N ALA 2 15 -8.478 16.363 -4.865 1.00 0.00 N ATOM 1076 CA ALA 2 15 -7.364 16.922 -4.115 1.00 0.00 C ATOM 1077 C ALA 2 15 -7.896 17.601 -2.852 1.00 0.00 C ATOM 1078 O ALA 2 15 -7.893 18.828 -2.755 1.00 0.00 O ATOM 1079 CB ALA 2 15 -6.579 17.883 -5.008 1.00 0.00 C ATOM 0 H ALA 2 15 -8.364 15.386 -5.133 1.00 0.00 H new ATOM 0 HA ALA 2 15 -6.678 16.135 -3.802 1.00 0.00 H new ATOM 0 HB1 ALA 2 15 -5.744 18.302 -4.446 1.00 0.00 H new ATOM 0 HB2 ALA 2 15 -6.198 17.344 -5.876 1.00 0.00 H new ATOM 0 HB3 ALA 2 15 -7.234 18.689 -5.340 1.00 0.00 H new ATOM 1085 N LYS 2 16 -8.339 16.775 -1.916 1.00 0.00 N ATOM 1086 CA LYS 2 16 -8.873 17.281 -0.662 1.00 0.00 C ATOM 1087 C LYS 2 16 -9.659 16.171 0.037 1.00 0.00 C ATOM 1088 O LYS 2 16 -10.803 16.375 0.439 1.00 0.00 O ATOM 1089 CB LYS 2 16 -9.687 18.555 -0.902 1.00 0.00 C ATOM 1090 CG LYS 2 16 -10.478 18.462 -2.209 1.00 0.00 C ATOM 1091 CD LYS 2 16 -11.957 18.779 -1.977 1.00 0.00 C ATOM 1092 CE LYS 2 16 -12.232 20.273 -2.160 1.00 0.00 C ATOM 1093 NZ LYS 2 16 -13.625 20.594 -1.775 1.00 0.00 N ATOM 0 H LYS 2 16 -8.339 15.758 -2.000 1.00 0.00 H new ATOM 0 HA LYS 2 16 -8.064 17.569 0.009 1.00 0.00 H new ATOM 0 HB2 LYS 2 16 -10.371 18.716 -0.069 1.00 0.00 H new ATOM 0 HB3 LYS 2 16 -9.020 19.416 -0.937 1.00 0.00 H new ATOM 0 HG2 LYS 2 16 -10.064 19.157 -2.940 1.00 0.00 H new ATOM 0 HG3 LYS 2 16 -10.378 17.461 -2.629 1.00 0.00 H new ATOM 0 HD2 LYS 2 16 -12.569 18.205 -2.672 1.00 0.00 H new ATOM 0 HD3 LYS 2 16 -12.245 18.473 -0.971 1.00 0.00 H new ATOM 0 HE2 LYS 2 16 -11.538 20.854 -1.553 1.00 0.00 H new ATOM 0 HE3 LYS 2 16 -12.061 20.556 -3.199 1.00 0.00 H new ATOM 0 HZ1 LYS 2 16 -13.795 21.612 -1.905 1.00 0.00 H new ATOM 0 HZ2 LYS 2 16 -14.283 20.054 -2.372 1.00 0.00 H new ATOM 0 HZ3 LYS 2 16 -13.776 20.342 -0.777 1.00 0.00 H new ATOM 1107 N ASP 2 17 -9.015 15.021 0.160 1.00 0.00 N ATOM 1108 CA ASP 2 17 -9.640 13.878 0.805 1.00 0.00 C ATOM 1109 C ASP 2 17 -8.571 12.833 1.128 1.00 0.00 C ATOM 1110 O ASP 2 17 -8.729 12.045 2.060 1.00 0.00 O ATOM 1111 CB ASP 2 17 -10.675 13.226 -0.114 1.00 0.00 C ATOM 1112 CG ASP 2 17 -11.654 12.279 0.584 1.00 0.00 C ATOM 1113 OD1 ASP 2 17 -11.726 12.355 1.829 1.00 0.00 O ATOM 1114 OD2 ASP 2 17 -12.309 11.502 -0.144 1.00 0.00 O ATOM 0 H ASP 2 17 -8.066 14.855 -0.176 1.00 0.00 H new ATOM 0 HA ASP 2 17 -10.132 14.230 1.712 1.00 0.00 H new ATOM 0 HB2 ASP 2 17 -11.244 14.012 -0.610 1.00 0.00 H new ATOM 0 HB3 ASP 2 17 -10.150 12.673 -0.893 1.00 0.00 H new ATOM 1119 N ARG 2 18 -7.505 12.859 0.342 1.00 0.00 N ATOM 1120 CA ARG 2 18 -6.411 11.923 0.532 1.00 0.00 C ATOM 1121 C ARG 2 18 -5.996 11.885 2.005 1.00 0.00 C ATOM 1122 O ARG 2 18 -6.561 12.599 2.831 1.00 0.00 O ATOM 1123 CB ARG 2 18 -5.201 12.308 -0.321 1.00 0.00 C ATOM 1124 CG ARG 2 18 -5.592 12.453 -1.792 1.00 0.00 C ATOM 1125 CD ARG 2 18 -4.864 13.634 -2.440 1.00 0.00 C ATOM 1126 NE ARG 2 18 -5.159 13.675 -3.890 1.00 0.00 N ATOM 1127 CZ ARG 2 18 -4.343 14.212 -4.806 1.00 0.00 C ATOM 1128 NH1 ARG 2 18 -3.178 14.757 -4.430 1.00 0.00 N ATOM 1129 NH2 ARG 2 18 -4.690 14.205 -6.101 1.00 0.00 N ATOM 0 H ARG 2 18 -7.376 13.515 -0.429 1.00 0.00 H new ATOM 0 HA ARG 2 18 -6.760 10.938 0.222 1.00 0.00 H new ATOM 0 HB2 ARG 2 18 -4.780 13.246 0.041 1.00 0.00 H new ATOM 0 HB3 ARG 2 18 -4.424 11.550 -0.220 1.00 0.00 H new ATOM 0 HG2 ARG 2 18 -5.352 11.535 -2.328 1.00 0.00 H new ATOM 0 HG3 ARG 2 18 -6.669 12.597 -1.873 1.00 0.00 H new ATOM 0 HD2 ARG 2 18 -5.176 14.567 -1.970 1.00 0.00 H new ATOM 0 HD3 ARG 2 18 -3.790 13.541 -2.281 1.00 0.00 H new ATOM 0 HE ARG 2 18 -6.038 13.269 -4.211 1.00 0.00 H new ATOM 0 HH11 ARG 2 18 -2.912 14.763 -3.445 1.00 0.00 H new ATOM 0 HH12 ARG 2 18 -2.557 15.166 -5.128 1.00 0.00 H new ATOM 0 HH21 ARG 2 18 -5.576 13.790 -6.389 1.00 0.00 H new ATOM 0 HH22 ARG 2 18 -4.068 14.614 -6.798 1.00 0.00 H new ATOM 1143 N VAL 2 19 -5.012 11.044 2.288 1.00 0.00 N ATOM 1144 CA VAL 2 19 -4.515 10.903 3.646 1.00 0.00 C ATOM 1145 C VAL 2 19 -3.075 11.414 3.714 1.00 0.00 C ATOM 1146 O VAL 2 19 -2.333 11.072 4.633 1.00 0.00 O ATOM 1147 CB VAL 2 19 -4.656 9.450 4.108 1.00 0.00 C ATOM 1148 CG1 VAL 2 19 -4.309 9.310 5.591 1.00 0.00 C ATOM 1149 CG2 VAL 2 19 -6.062 8.918 3.821 1.00 0.00 C ATOM 0 H VAL 2 19 -4.545 10.453 1.600 1.00 0.00 H new ATOM 0 HA VAL 2 19 -5.107 11.507 4.333 1.00 0.00 H new ATOM 0 HB VAL 2 19 -3.947 8.847 3.540 1.00 0.00 H new ATOM 0 HG11 VAL 2 19 -4.417 8.268 5.893 1.00 0.00 H new ATOM 0 HG12 VAL 2 19 -3.280 9.631 5.756 1.00 0.00 H new ATOM 0 HG13 VAL 2 19 -4.982 9.931 6.182 1.00 0.00 H new ATOM 0 HG21 VAL 2 19 -6.136 7.884 4.159 1.00 0.00 H new ATOM 0 HG22 VAL 2 19 -6.796 9.526 4.350 1.00 0.00 H new ATOM 0 HG23 VAL 2 19 -6.257 8.965 2.750 1.00 0.00 H new ATOM 1159 N ASP 2 20 -2.723 12.226 2.728 1.00 0.00 N ATOM 1160 CA ASP 2 20 -1.384 12.789 2.663 1.00 0.00 C ATOM 1161 C ASP 2 20 -0.383 11.778 3.226 1.00 0.00 C ATOM 1162 O ASP 2 20 -0.100 11.779 4.423 1.00 0.00 O ATOM 1163 CB ASP 2 20 -1.283 14.067 3.497 1.00 0.00 C ATOM 1164 CG ASP 2 20 0.105 14.359 4.070 1.00 0.00 C ATOM 1165 OD1 ASP 2 20 1.000 14.673 3.256 1.00 0.00 O ATOM 1166 OD2 ASP 2 20 0.240 14.260 5.308 1.00 0.00 O ATOM 0 H ASP 2 20 -3.341 12.508 1.967 1.00 0.00 H new ATOM 0 HA ASP 2 20 -1.166 13.020 1.620 1.00 0.00 H new ATOM 0 HB2 ASP 2 20 -1.589 14.911 2.879 1.00 0.00 H new ATOM 0 HB3 ASP 2 20 -1.993 14.002 4.321 1.00 0.00 H new ATOM 1171 N CYS 2 21 0.123 10.937 2.336 1.00 0.00 N ATOM 1172 CA CYS 2 21 1.086 9.923 2.728 1.00 0.00 C ATOM 1173 C CYS 2 21 2.240 10.612 3.460 1.00 0.00 C ATOM 1174 O CYS 2 21 2.825 10.043 4.380 1.00 0.00 O ATOM 1175 CB CYS 2 21 1.576 9.112 1.527 1.00 0.00 C ATOM 1176 SG CYS 2 21 1.895 7.343 1.872 1.00 0.00 S ATOM 0 H CYS 2 21 -0.116 10.937 1.344 1.00 0.00 H new ATOM 0 HA CYS 2 21 0.609 9.206 3.397 1.00 0.00 H new ATOM 0 HB2 CYS 2 21 0.835 9.184 0.731 1.00 0.00 H new ATOM 0 HB3 CYS 2 21 2.493 9.565 1.151 1.00 0.00 H new ATOM 1181 N GLY 2 22 2.533 11.829 3.022 1.00 0.00 N ATOM 1182 CA GLY 2 22 3.606 12.602 3.624 1.00 0.00 C ATOM 1183 C GLY 2 22 4.925 11.829 3.589 1.00 0.00 C ATOM 1184 O GLY 2 22 5.558 11.627 4.624 1.00 0.00 O ATOM 0 H GLY 2 22 2.046 12.298 2.258 1.00 0.00 H new ATOM 0 HA2 GLY 2 22 3.720 13.547 3.093 1.00 0.00 H new ATOM 0 HA3 GLY 2 22 3.350 12.845 4.655 1.00 0.00 H new ATOM 1188 N TYR 2 23 5.301 11.416 2.388 1.00 0.00 N ATOM 1189 CA TYR 2 23 6.533 10.669 2.204 1.00 0.00 C ATOM 1190 C TYR 2 23 7.710 11.610 1.933 1.00 0.00 C ATOM 1191 O TYR 2 23 7.587 12.555 1.156 1.00 0.00 O ATOM 1192 CB TYR 2 23 6.312 9.783 0.977 1.00 0.00 C ATOM 1193 CG TYR 2 23 6.814 8.348 1.145 1.00 0.00 C ATOM 1194 CD1 TYR 2 23 6.561 7.661 2.314 1.00 0.00 C ATOM 1195 CD2 TYR 2 23 7.523 7.741 0.128 1.00 0.00 C ATOM 1196 CE1 TYR 2 23 7.035 6.310 2.473 1.00 0.00 C ATOM 1197 CE2 TYR 2 23 7.997 6.391 0.286 1.00 0.00 C ATOM 1198 CZ TYR 2 23 7.729 5.743 1.451 1.00 0.00 C ATOM 1199 OH TYR 2 23 8.176 4.467 1.601 1.00 0.00 O ATOM 0 H TYR 2 23 4.773 11.585 1.532 1.00 0.00 H new ATOM 0 HA TYR 2 23 6.768 10.092 3.099 1.00 0.00 H new ATOM 0 HB2 TYR 2 23 5.247 9.759 0.746 1.00 0.00 H new ATOM 0 HB3 TYR 2 23 6.814 10.234 0.121 1.00 0.00 H new ATOM 0 HD1 TYR 2 23 6.007 8.136 3.110 1.00 0.00 H new ATOM 0 HD2 TYR 2 23 7.722 8.279 -0.787 1.00 0.00 H new ATOM 0 HE1 TYR 2 23 6.843 5.761 3.383 1.00 0.00 H new ATOM 0 HE2 TYR 2 23 8.552 5.904 -0.502 1.00 0.00 H new ATOM 0 HH TYR 2 23 7.567 3.974 2.190 1.00 0.00 H new ATOM 1209 N PRO 2 24 8.852 11.311 2.608 1.00 0.00 N ATOM 1210 CA PRO 2 24 10.049 12.118 2.448 1.00 0.00 C ATOM 1211 C PRO 2 24 10.726 11.836 1.105 1.00 0.00 C ATOM 1212 O PRO 2 24 11.710 12.486 0.753 1.00 0.00 O ATOM 1213 CB PRO 2 24 10.923 11.767 3.640 1.00 0.00 C ATOM 1214 CG PRO 2 24 10.395 10.443 4.168 1.00 0.00 C ATOM 1215 CD PRO 2 24 9.034 10.199 3.537 1.00 0.00 C ATOM 0 HA PRO 2 24 9.836 13.187 2.429 1.00 0.00 H new ATOM 0 HB2 PRO 2 24 11.969 11.681 3.346 1.00 0.00 H new ATOM 0 HB3 PRO 2 24 10.870 12.542 4.405 1.00 0.00 H new ATOM 0 HG2 PRO 2 24 11.081 9.633 3.921 1.00 0.00 H new ATOM 0 HG3 PRO 2 24 10.313 10.471 5.255 1.00 0.00 H new ATOM 0 HD2 PRO 2 24 9.004 9.241 3.018 1.00 0.00 H new ATOM 0 HD3 PRO 2 24 8.246 10.179 4.290 1.00 0.00 H new ATOM 1223 N HIS 2 25 10.173 10.866 0.392 1.00 0.00 N ATOM 1224 CA HIS 2 25 10.711 10.490 -0.904 1.00 0.00 C ATOM 1225 C HIS 2 25 9.611 10.581 -1.963 1.00 0.00 C ATOM 1226 O HIS 2 25 9.707 9.958 -3.019 1.00 0.00 O ATOM 1227 CB HIS 2 25 11.360 9.105 -0.841 1.00 0.00 C ATOM 1228 CG HIS 2 25 12.749 9.104 -0.250 1.00 0.00 C ATOM 1229 ND1 HIS 2 25 13.893 9.215 -1.021 1.00 0.00 N ATOM 1230 CD2 HIS 2 25 13.167 9.005 1.046 1.00 0.00 C ATOM 1231 CE1 HIS 2 25 14.945 9.182 -0.216 1.00 0.00 C ATOM 1232 NE2 HIS 2 25 14.493 9.052 1.064 1.00 0.00 N ATOM 0 H HIS 2 25 9.358 10.329 0.687 1.00 0.00 H new ATOM 0 HA HIS 2 25 11.500 11.185 -1.190 1.00 0.00 H new ATOM 0 HB2 HIS 2 25 10.725 8.444 -0.251 1.00 0.00 H new ATOM 0 HB3 HIS 2 25 11.404 8.690 -1.848 1.00 0.00 H new ATOM 0 HD2 HIS 2 25 12.527 8.905 1.910 1.00 0.00 H new ATOM 0 HE1 HIS 2 25 15.979 9.247 -0.520 1.00 0.00 H new ATOM 0 HE2 HIS 2 25 15.078 9.000 1.898 1.00 0.00 H new ATOM 1241 N VAL 2 26 8.590 11.363 -1.642 1.00 0.00 N ATOM 1242 CA VAL 2 26 7.472 11.544 -2.554 1.00 0.00 C ATOM 1243 C VAL 2 26 8.005 11.739 -3.975 1.00 0.00 C ATOM 1244 O VAL 2 26 8.798 12.645 -4.225 1.00 0.00 O ATOM 1245 CB VAL 2 26 6.594 12.704 -2.079 1.00 0.00 C ATOM 1246 CG1 VAL 2 26 7.448 13.874 -1.590 1.00 0.00 C ATOM 1247 CG2 VAL 2 26 5.632 13.149 -3.183 1.00 0.00 C ATOM 0 H VAL 2 26 8.513 11.878 -0.765 1.00 0.00 H new ATOM 0 HA VAL 2 26 6.839 10.657 -2.564 1.00 0.00 H new ATOM 0 HB VAL 2 26 5.998 12.351 -1.237 1.00 0.00 H new ATOM 0 HG11 VAL 2 26 6.799 14.685 -1.258 1.00 0.00 H new ATOM 0 HG12 VAL 2 26 8.073 13.546 -0.759 1.00 0.00 H new ATOM 0 HG13 VAL 2 26 8.082 14.227 -2.403 1.00 0.00 H new ATOM 0 HG21 VAL 2 26 5.019 13.974 -2.821 1.00 0.00 H new ATOM 0 HG22 VAL 2 26 6.202 13.475 -4.053 1.00 0.00 H new ATOM 0 HG23 VAL 2 26 4.989 12.315 -3.463 1.00 0.00 H new ATOM 1257 N THR 2 27 7.546 10.875 -4.869 1.00 0.00 N ATOM 1258 CA THR 2 27 7.967 10.941 -6.258 1.00 0.00 C ATOM 1259 C THR 2 27 7.046 10.089 -7.134 1.00 0.00 C ATOM 1260 O THR 2 27 6.462 9.114 -6.663 1.00 0.00 O ATOM 1261 CB THR 2 27 9.436 10.518 -6.328 1.00 0.00 C ATOM 1262 OG1 THR 2 27 10.118 11.704 -6.724 1.00 0.00 O ATOM 1263 CG2 THR 2 27 9.707 9.534 -7.467 1.00 0.00 C ATOM 0 H THR 2 27 6.887 10.126 -4.658 1.00 0.00 H new ATOM 0 HA THR 2 27 7.888 11.956 -6.648 1.00 0.00 H new ATOM 0 HB THR 2 27 9.731 10.066 -5.381 1.00 0.00 H new ATOM 0 HG1 THR 2 27 9.952 12.412 -6.067 1.00 0.00 H new ATOM 0 HG21 THR 2 27 10.763 9.266 -7.473 1.00 0.00 H new ATOM 0 HG22 THR 2 27 9.106 8.636 -7.323 1.00 0.00 H new ATOM 0 HG23 THR 2 27 9.445 9.997 -8.418 1.00 0.00 H new ATOM 1271 N PRO 2 28 6.944 10.498 -8.427 1.00 0.00 N ATOM 1272 CA PRO 2 28 6.104 9.783 -9.374 1.00 0.00 C ATOM 1273 C PRO 2 28 6.761 8.470 -9.805 1.00 0.00 C ATOM 1274 O PRO 2 28 6.831 8.169 -10.995 1.00 0.00 O ATOM 1275 CB PRO 2 28 5.900 10.752 -10.527 1.00 0.00 C ATOM 1276 CG PRO 2 28 7.003 11.789 -10.401 1.00 0.00 C ATOM 1277 CD PRO 2 28 7.621 11.648 -9.019 1.00 0.00 C ATOM 0 HA PRO 2 28 5.146 9.485 -8.947 1.00 0.00 H new ATOM 0 HB2 PRO 2 28 5.957 10.236 -11.485 1.00 0.00 H new ATOM 0 HB3 PRO 2 28 4.917 11.220 -10.475 1.00 0.00 H new ATOM 0 HG2 PRO 2 28 7.757 11.639 -11.173 1.00 0.00 H new ATOM 0 HG3 PRO 2 28 6.601 12.793 -10.539 1.00 0.00 H new ATOM 0 HD2 PRO 2 28 8.697 11.486 -9.081 1.00 0.00 H new ATOM 0 HD3 PRO 2 28 7.468 12.548 -8.423 1.00 0.00 H new ATOM 1285 N LYS 2 29 7.224 7.723 -8.813 1.00 0.00 N ATOM 1286 CA LYS 2 29 7.872 6.450 -9.075 1.00 0.00 C ATOM 1287 C LYS 2 29 8.237 5.785 -7.746 1.00 0.00 C ATOM 1288 O LYS 2 29 8.381 4.566 -7.677 1.00 0.00 O ATOM 1289 CB LYS 2 29 9.064 6.638 -10.016 1.00 0.00 C ATOM 1290 CG LYS 2 29 9.715 5.294 -10.351 1.00 0.00 C ATOM 1291 CD LYS 2 29 10.044 5.202 -11.843 1.00 0.00 C ATOM 1292 CE LYS 2 29 9.311 4.026 -12.493 1.00 0.00 C ATOM 1293 NZ LYS 2 29 9.124 4.270 -13.941 1.00 0.00 N ATOM 0 H LYS 2 29 7.163 7.976 -7.827 1.00 0.00 H new ATOM 0 HA LYS 2 29 7.190 5.776 -9.593 1.00 0.00 H new ATOM 0 HB2 LYS 2 29 8.734 7.125 -10.934 1.00 0.00 H new ATOM 0 HB3 LYS 2 29 9.798 7.296 -9.552 1.00 0.00 H new ATOM 0 HG2 LYS 2 29 10.626 5.171 -9.766 1.00 0.00 H new ATOM 0 HG3 LYS 2 29 9.045 4.481 -10.072 1.00 0.00 H new ATOM 0 HD2 LYS 2 29 9.762 6.131 -12.339 1.00 0.00 H new ATOM 0 HD3 LYS 2 29 11.119 5.083 -11.976 1.00 0.00 H new ATOM 0 HE2 LYS 2 29 9.879 3.108 -12.343 1.00 0.00 H new ATOM 0 HE3 LYS 2 29 8.342 3.884 -12.014 1.00 0.00 H new ATOM 0 HZ1 LYS 2 29 8.625 3.463 -14.367 1.00 0.00 H new ATOM 0 HZ2 LYS 2 29 8.563 5.135 -14.078 1.00 0.00 H new ATOM 0 HZ3 LYS 2 29 10.052 4.383 -14.397 1.00 0.00 H new ATOM 1307 N GLU 2 30 8.374 6.616 -6.724 1.00 0.00 N ATOM 1308 CA GLU 2 30 8.718 6.125 -5.401 1.00 0.00 C ATOM 1309 C GLU 2 30 7.452 5.858 -4.587 1.00 0.00 C ATOM 1310 O GLU 2 30 7.338 4.824 -3.929 1.00 0.00 O ATOM 1311 CB GLU 2 30 9.641 7.106 -4.673 1.00 0.00 C ATOM 1312 CG GLU 2 30 11.055 6.537 -4.545 1.00 0.00 C ATOM 1313 CD GLU 2 30 11.882 6.834 -5.798 1.00 0.00 C ATOM 1314 OE1 GLU 2 30 11.327 6.645 -6.902 1.00 0.00 O ATOM 1315 OE2 GLU 2 30 13.050 7.244 -5.624 1.00 0.00 O ATOM 0 H GLU 2 30 8.253 7.627 -6.785 1.00 0.00 H new ATOM 0 HA GLU 2 30 9.258 5.185 -5.515 1.00 0.00 H new ATOM 0 HB2 GLU 2 30 9.673 8.051 -5.215 1.00 0.00 H new ATOM 0 HB3 GLU 2 30 9.241 7.321 -3.682 1.00 0.00 H new ATOM 0 HG2 GLU 2 30 11.546 6.966 -3.671 1.00 0.00 H new ATOM 0 HG3 GLU 2 30 11.004 5.460 -4.385 1.00 0.00 H new ATOM 1322 N CYS 2 31 6.530 6.807 -4.657 1.00 0.00 N ATOM 1323 CA CYS 2 31 5.275 6.688 -3.935 1.00 0.00 C ATOM 1324 C CYS 2 31 4.539 5.450 -4.452 1.00 0.00 C ATOM 1325 O CYS 2 31 4.235 4.538 -3.685 1.00 0.00 O ATOM 1326 CB CYS 2 31 4.425 7.954 -4.063 1.00 0.00 C ATOM 1327 SG CYS 2 31 4.871 9.299 -2.907 1.00 0.00 S ATOM 0 H CYS 2 31 6.627 7.663 -5.203 1.00 0.00 H new ATOM 0 HA CYS 2 31 5.475 6.572 -2.870 1.00 0.00 H new ATOM 0 HB2 CYS 2 31 4.508 8.329 -5.083 1.00 0.00 H new ATOM 0 HB3 CYS 2 31 3.379 7.690 -3.905 1.00 0.00 H new ATOM 1332 N ASN 2 32 4.273 5.459 -5.751 1.00 0.00 N ATOM 1333 CA ASN 2 32 3.578 4.349 -6.379 1.00 0.00 C ATOM 1334 C ASN 2 32 4.399 3.070 -6.199 1.00 0.00 C ATOM 1335 O ASN 2 32 3.931 1.978 -6.515 1.00 0.00 O ATOM 1336 CB ASN 2 32 3.402 4.589 -7.880 1.00 0.00 C ATOM 1337 CG ASN 2 32 2.074 5.291 -8.170 1.00 0.00 C ATOM 1338 OD1 ASN 2 32 1.243 4.815 -8.926 1.00 0.00 O ATOM 1339 ND2 ASN 2 32 1.922 6.447 -7.531 1.00 0.00 N ATOM 0 H ASN 2 32 4.526 6.217 -6.384 1.00 0.00 H new ATOM 0 HA ASN 2 32 2.598 4.256 -5.910 1.00 0.00 H new ATOM 0 HB2 ASN 2 32 4.227 5.195 -8.254 1.00 0.00 H new ATOM 0 HB3 ASN 2 32 3.438 3.638 -8.411 1.00 0.00 H new ATOM 0 HD21 ASN 2 32 1.070 6.993 -7.660 1.00 0.00 H new ATOM 0 HD22 ASN 2 32 2.657 6.788 -6.912 1.00 0.00 H new ATOM 1346 N ASN 2 33 5.610 3.250 -5.691 1.00 0.00 N ATOM 1347 CA ASN 2 33 6.501 2.124 -5.464 1.00 0.00 C ATOM 1348 C ASN 2 33 6.483 1.757 -3.979 1.00 0.00 C ATOM 1349 O ASN 2 33 6.711 0.603 -3.618 1.00 0.00 O ATOM 1350 CB ASN 2 33 7.939 2.474 -5.847 1.00 0.00 C ATOM 1351 CG ASN 2 33 8.917 1.413 -5.338 1.00 0.00 C ATOM 1352 OD1 ASN 2 33 8.772 0.228 -5.588 1.00 0.00 O ATOM 1353 ND2 ASN 2 33 9.917 1.903 -4.612 1.00 0.00 N ATOM 0 H ASN 2 33 5.995 4.158 -5.430 1.00 0.00 H new ATOM 0 HA ASN 2 33 6.157 1.292 -6.078 1.00 0.00 H new ATOM 0 HB2 ASN 2 33 8.020 2.558 -6.931 1.00 0.00 H new ATOM 0 HB3 ASN 2 33 8.203 3.446 -5.431 1.00 0.00 H new ATOM 0 HD21 ASN 2 33 10.622 1.275 -4.226 1.00 0.00 H new ATOM 0 HD22 ASN 2 33 9.979 2.907 -4.441 1.00 0.00 H new ATOM 1360 N ARG 2 34 6.212 2.760 -3.157 1.00 0.00 N ATOM 1361 CA ARG 2 34 6.162 2.557 -1.719 1.00 0.00 C ATOM 1362 C ARG 2 34 4.747 2.164 -1.287 1.00 0.00 C ATOM 1363 O ARG 2 34 4.568 1.503 -0.265 1.00 0.00 O ATOM 1364 CB ARG 2 34 6.582 3.823 -0.969 1.00 0.00 C ATOM 1365 CG ARG 2 34 5.362 4.652 -0.564 1.00 0.00 C ATOM 1366 CD ARG 2 34 4.899 4.291 0.850 1.00 0.00 C ATOM 1367 NE ARG 2 34 3.458 3.956 0.840 1.00 0.00 N ATOM 1368 CZ ARG 2 34 2.797 3.452 1.892 1.00 0.00 C ATOM 1369 NH1 ARG 2 34 3.444 3.223 3.042 1.00 0.00 N ATOM 1370 NH2 ARG 2 34 1.489 3.178 1.792 1.00 0.00 N ATOM 0 H ARG 2 34 6.025 3.716 -3.459 1.00 0.00 H new ATOM 0 HA ARG 2 34 6.857 1.754 -1.473 1.00 0.00 H new ATOM 0 HB2 ARG 2 34 7.152 3.551 -0.081 1.00 0.00 H new ATOM 0 HB3 ARG 2 34 7.240 4.422 -1.599 1.00 0.00 H new ATOM 0 HG2 ARG 2 34 5.607 5.713 -0.611 1.00 0.00 H new ATOM 0 HG3 ARG 2 34 4.550 4.481 -1.271 1.00 0.00 H new ATOM 0 HD2 ARG 2 34 5.475 3.445 1.225 1.00 0.00 H new ATOM 0 HD3 ARG 2 34 5.082 5.126 1.526 1.00 0.00 H new ATOM 0 HE ARG 2 34 2.935 4.119 -0.020 1.00 0.00 H new ATOM 0 HH11 ARG 2 34 4.439 3.432 3.117 1.00 0.00 H new ATOM 0 HH12 ARG 2 34 2.941 2.840 3.842 1.00 0.00 H new ATOM 0 HH21 ARG 2 34 0.997 3.353 0.916 1.00 0.00 H new ATOM 0 HH22 ARG 2 34 0.986 2.795 2.592 1.00 0.00 H new ATOM 1384 N GLY 2 35 3.780 2.586 -2.087 1.00 0.00 N ATOM 1385 CA GLY 2 35 2.387 2.286 -1.801 1.00 0.00 C ATOM 1386 C GLY 2 35 1.561 3.569 -1.693 1.00 0.00 C ATOM 1387 O GLY 2 35 0.495 3.574 -1.079 1.00 0.00 O ATOM 0 H GLY 2 35 3.933 3.134 -2.934 1.00 0.00 H new ATOM 0 HA2 GLY 2 35 1.979 1.652 -2.588 1.00 0.00 H new ATOM 0 HA3 GLY 2 35 2.316 1.724 -0.870 1.00 0.00 H new ATOM 1391 N CYS 2 36 2.083 4.624 -2.301 1.00 0.00 N ATOM 1392 CA CYS 2 36 1.407 5.910 -2.281 1.00 0.00 C ATOM 1393 C CYS 2 36 1.126 6.326 -3.727 1.00 0.00 C ATOM 1394 O CYS 2 36 1.694 5.763 -4.660 1.00 0.00 O ATOM 1395 CB CYS 2 36 2.220 6.966 -1.531 1.00 0.00 C ATOM 1396 SG CYS 2 36 2.528 6.588 0.233 1.00 0.00 S ATOM 0 H CYS 2 36 2.966 4.615 -2.811 1.00 0.00 H new ATOM 0 HA CYS 2 36 0.465 5.821 -1.739 1.00 0.00 H new ATOM 0 HB2 CYS 2 36 3.179 7.091 -2.034 1.00 0.00 H new ATOM 0 HB3 CYS 2 36 1.698 7.921 -1.598 1.00 0.00 H new ATOM 1401 N CYS 2 37 0.248 7.309 -3.865 1.00 0.00 N ATOM 1402 CA CYS 2 37 -0.117 7.807 -5.181 1.00 0.00 C ATOM 1403 C CYS 2 37 0.422 9.233 -5.320 1.00 0.00 C ATOM 1404 O CYS 2 37 0.178 10.079 -4.462 1.00 0.00 O ATOM 1405 CB CYS 2 37 -1.627 7.743 -5.412 1.00 0.00 C ATOM 1406 SG CYS 2 37 -2.137 7.786 -7.169 1.00 0.00 S ATOM 0 H CYS 2 37 -0.221 7.774 -3.088 1.00 0.00 H new ATOM 0 HA CYS 2 37 0.328 7.174 -5.949 1.00 0.00 H new ATOM 0 HB2 CYS 2 37 -2.011 6.829 -4.959 1.00 0.00 H new ATOM 0 HB3 CYS 2 37 -2.096 8.578 -4.892 1.00 0.00 H new ATOM 1411 N PHE 2 38 1.146 9.453 -6.407 1.00 0.00 N ATOM 1412 CA PHE 2 38 1.721 10.762 -6.670 1.00 0.00 C ATOM 1413 C PHE 2 38 0.815 11.584 -7.588 1.00 0.00 C ATOM 1414 O PHE 2 38 0.526 11.174 -8.711 1.00 0.00 O ATOM 1415 CB PHE 2 38 3.061 10.529 -7.371 1.00 0.00 C ATOM 1416 CG PHE 2 38 3.902 11.795 -7.542 1.00 0.00 C ATOM 1417 CD1 PHE 2 38 4.701 12.222 -6.528 1.00 0.00 C ATOM 1418 CD2 PHE 2 38 3.853 12.492 -8.708 1.00 0.00 C ATOM 1419 CE1 PHE 2 38 5.483 13.398 -6.686 1.00 0.00 C ATOM 1420 CE2 PHE 2 38 4.634 13.668 -8.867 1.00 0.00 C ATOM 1421 CZ PHE 2 38 5.432 14.095 -7.853 1.00 0.00 C ATOM 0 H PHE 2 38 1.348 8.748 -7.116 1.00 0.00 H new ATOM 0 HA PHE 2 38 1.840 11.311 -5.736 1.00 0.00 H new ATOM 0 HB2 PHE 2 38 3.635 9.798 -6.802 1.00 0.00 H new ATOM 0 HB3 PHE 2 38 2.875 10.093 -8.353 1.00 0.00 H new ATOM 0 HD1 PHE 2 38 4.741 11.667 -5.602 1.00 0.00 H new ATOM 0 HD2 PHE 2 38 3.220 12.152 -9.514 1.00 0.00 H new ATOM 0 HE1 PHE 2 38 6.117 13.738 -5.880 1.00 0.00 H new ATOM 0 HE2 PHE 2 38 4.594 14.222 -9.793 1.00 0.00 H new ATOM 0 HZ PHE 2 38 6.026 14.989 -7.974 1.00 0.00 H new ATOM 1431 N ASP 2 39 0.393 12.732 -7.077 1.00 0.00 N ATOM 1432 CA ASP 2 39 -0.474 13.616 -7.837 1.00 0.00 C ATOM 1433 C ASP 2 39 0.382 14.560 -8.683 1.00 0.00 C ATOM 1434 O ASP 2 39 0.606 14.309 -9.866 1.00 0.00 O ATOM 1435 CB ASP 2 39 -1.341 14.469 -6.909 1.00 0.00 C ATOM 1436 CG ASP 2 39 -2.153 15.563 -7.605 1.00 0.00 C ATOM 1437 OD1 ASP 2 39 -3.062 15.189 -8.378 1.00 0.00 O ATOM 1438 OD2 ASP 2 39 -1.846 16.747 -7.349 1.00 0.00 O ATOM 0 H ASP 2 39 0.636 13.070 -6.146 1.00 0.00 H new ATOM 0 HA ASP 2 39 -1.116 12.999 -8.465 1.00 0.00 H new ATOM 0 HB2 ASP 2 39 -2.028 13.813 -6.374 1.00 0.00 H new ATOM 0 HB3 ASP 2 39 -0.698 14.935 -6.162 1.00 0.00 H new ATOM 1443 N SER 2 40 0.841 15.626 -8.043 1.00 0.00 N ATOM 1444 CA SER 2 40 1.668 16.609 -8.722 1.00 0.00 C ATOM 1445 C SER 2 40 0.786 17.672 -9.378 1.00 0.00 C ATOM 1446 O SER 2 40 1.269 18.739 -9.754 1.00 0.00 O ATOM 1447 CB SER 2 40 2.566 15.945 -9.767 1.00 0.00 C ATOM 1448 OG SER 2 40 3.822 16.607 -9.891 1.00 0.00 O ATOM 0 H SER 2 40 0.656 15.830 -7.061 1.00 0.00 H new ATOM 0 HA SER 2 40 2.310 17.086 -7.981 1.00 0.00 H new ATOM 0 HB2 SER 2 40 2.731 14.903 -9.493 1.00 0.00 H new ATOM 0 HB3 SER 2 40 2.060 15.945 -10.732 1.00 0.00 H new ATOM 0 HG SER 2 40 4.531 16.032 -9.535 1.00 0.00 H new ATOM 1454 N ARG 2 41 -0.493 17.343 -9.496 1.00 0.00 N ATOM 1455 CA ARG 2 41 -1.447 18.257 -10.101 1.00 0.00 C ATOM 1456 C ARG 2 41 -1.511 19.561 -9.304 1.00 0.00 C ATOM 1457 O ARG 2 41 -1.357 20.644 -9.867 1.00 0.00 O ATOM 1458 CB ARG 2 41 -2.844 17.634 -10.160 1.00 0.00 C ATOM 1459 CG ARG 2 41 -2.869 16.436 -11.111 1.00 0.00 C ATOM 1460 CD ARG 2 41 -4.119 16.462 -11.993 1.00 0.00 C ATOM 1461 NE ARG 2 41 -3.943 17.438 -13.092 1.00 0.00 N ATOM 1462 CZ ARG 2 41 -4.951 17.940 -13.818 1.00 0.00 C ATOM 1463 NH1 ARG 2 41 -6.212 17.561 -13.568 1.00 0.00 N ATOM 1464 NH2 ARG 2 41 -4.698 18.820 -14.796 1.00 0.00 N ATOM 0 H ARG 2 41 -0.890 16.457 -9.183 1.00 0.00 H new ATOM 0 HA ARG 2 41 -1.110 18.464 -11.117 1.00 0.00 H new ATOM 0 HB2 ARG 2 41 -3.148 17.317 -9.162 1.00 0.00 H new ATOM 0 HB3 ARG 2 41 -3.566 18.381 -10.491 1.00 0.00 H new ATOM 0 HG2 ARG 2 41 -1.977 16.446 -11.738 1.00 0.00 H new ATOM 0 HG3 ARG 2 41 -2.844 15.510 -10.536 1.00 0.00 H new ATOM 0 HD2 ARG 2 41 -4.305 15.470 -12.403 1.00 0.00 H new ATOM 0 HD3 ARG 2 41 -4.991 16.728 -11.395 1.00 0.00 H new ATOM 0 HE ARG 2 41 -2.996 17.747 -13.310 1.00 0.00 H new ATOM 0 HH11 ARG 2 41 -6.405 16.890 -12.825 1.00 0.00 H new ATOM 0 HH12 ARG 2 41 -6.979 17.944 -14.121 1.00 0.00 H new ATOM 0 HH21 ARG 2 41 -3.738 19.108 -14.988 1.00 0.00 H new ATOM 0 HH22 ARG 2 41 -5.465 19.202 -15.349 1.00 0.00 H new ATOM 1478 N ILE 2 42 -1.740 19.415 -8.007 1.00 0.00 N ATOM 1479 CA ILE 2 42 -1.827 20.568 -7.127 1.00 0.00 C ATOM 1480 C ILE 2 42 -0.685 20.516 -6.110 1.00 0.00 C ATOM 1481 O ILE 2 42 -0.524 19.522 -5.405 1.00 0.00 O ATOM 1482 CB ILE 2 42 -3.215 20.653 -6.490 1.00 0.00 C ATOM 1483 CG1 ILE 2 42 -4.229 19.812 -7.269 1.00 0.00 C ATOM 1484 CG2 ILE 2 42 -3.665 22.107 -6.347 1.00 0.00 C ATOM 1485 CD1 ILE 2 42 -5.633 19.962 -6.681 1.00 0.00 C ATOM 0 H ILE 2 42 -1.868 18.515 -7.544 1.00 0.00 H new ATOM 0 HA ILE 2 42 -1.706 21.490 -7.695 1.00 0.00 H new ATOM 0 HB ILE 2 42 -3.155 20.235 -5.485 1.00 0.00 H new ATOM 0 HG12 ILE 2 42 -4.234 20.119 -8.315 1.00 0.00 H new ATOM 0 HG13 ILE 2 42 -3.931 18.764 -7.246 1.00 0.00 H new ATOM 0 HG21 ILE 2 42 -4.655 22.138 -5.891 1.00 0.00 H new ATOM 0 HG22 ILE 2 42 -2.958 22.646 -5.717 1.00 0.00 H new ATOM 0 HG23 ILE 2 42 -3.703 22.574 -7.331 1.00 0.00 H new ATOM 0 HD11 ILE 2 42 -6.334 19.354 -7.253 1.00 0.00 H new ATOM 0 HD12 ILE 2 42 -5.630 19.631 -5.642 1.00 0.00 H new ATOM 0 HD13 ILE 2 42 -5.937 21.008 -6.728 1.00 0.00 H new ATOM 1497 N PRO 2 43 0.097 21.626 -6.067 1.00 0.00 N ATOM 1498 CA PRO 2 43 1.220 21.716 -5.148 1.00 0.00 C ATOM 1499 C PRO 2 43 0.738 21.958 -3.716 1.00 0.00 C ATOM 1500 O PRO 2 43 1.501 21.794 -2.765 1.00 0.00 O ATOM 1501 CB PRO 2 43 2.078 22.850 -5.685 1.00 0.00 C ATOM 1502 CG PRO 2 43 1.176 23.654 -6.607 1.00 0.00 C ATOM 1503 CD PRO 2 43 -0.064 22.823 -6.888 1.00 0.00 C ATOM 0 HA PRO 2 43 1.794 20.791 -5.094 1.00 0.00 H new ATOM 0 HB2 PRO 2 43 2.459 23.470 -4.873 1.00 0.00 H new ATOM 0 HB3 PRO 2 43 2.943 22.464 -6.224 1.00 0.00 H new ATOM 0 HG2 PRO 2 43 0.903 24.602 -6.143 1.00 0.00 H new ATOM 0 HG3 PRO 2 43 1.694 23.892 -7.536 1.00 0.00 H new ATOM 0 HD2 PRO 2 43 -0.972 23.365 -6.624 1.00 0.00 H new ATOM 0 HD3 PRO 2 43 -0.140 22.570 -7.946 1.00 0.00 H new ATOM 1511 N GLY 2 44 -0.525 22.342 -3.608 1.00 0.00 N ATOM 1512 CA GLY 2 44 -1.118 22.607 -2.308 1.00 0.00 C ATOM 1513 C GLY 2 44 -1.727 21.336 -1.714 1.00 0.00 C ATOM 1514 O GLY 2 44 -2.123 21.319 -0.549 1.00 0.00 O ATOM 0 H GLY 2 44 -1.154 22.476 -4.399 1.00 0.00 H new ATOM 0 HA2 GLY 2 44 -0.359 23.001 -1.632 1.00 0.00 H new ATOM 0 HA3 GLY 2 44 -1.888 23.373 -2.405 1.00 0.00 H new ATOM 1518 N VAL 2 45 -1.782 20.302 -2.540 1.00 0.00 N ATOM 1519 CA VAL 2 45 -2.337 19.030 -2.110 1.00 0.00 C ATOM 1520 C VAL 2 45 -1.203 18.018 -1.933 1.00 0.00 C ATOM 1521 O VAL 2 45 -0.065 18.282 -2.320 1.00 0.00 O ATOM 1522 CB VAL 2 45 -3.405 18.563 -3.102 1.00 0.00 C ATOM 1523 CG1 VAL 2 45 -2.909 17.371 -3.922 1.00 0.00 C ATOM 1524 CG2 VAL 2 45 -4.713 18.227 -2.381 1.00 0.00 C ATOM 0 H VAL 2 45 -1.451 20.319 -3.505 1.00 0.00 H new ATOM 0 HA VAL 2 45 -2.833 19.136 -1.145 1.00 0.00 H new ATOM 0 HB VAL 2 45 -3.603 19.384 -3.792 1.00 0.00 H new ATOM 0 HG11 VAL 2 45 -3.687 17.060 -4.619 1.00 0.00 H new ATOM 0 HG12 VAL 2 45 -2.017 17.658 -4.479 1.00 0.00 H new ATOM 0 HG13 VAL 2 45 -2.668 16.544 -3.253 1.00 0.00 H new ATOM 0 HG21 VAL 2 45 -5.455 17.898 -3.108 1.00 0.00 H new ATOM 0 HG22 VAL 2 45 -4.536 17.431 -1.658 1.00 0.00 H new ATOM 0 HG23 VAL 2 45 -5.081 19.113 -1.863 1.00 0.00 H new ATOM 1534 N PRO 2 46 -1.562 16.852 -1.334 1.00 0.00 N ATOM 1535 CA PRO 2 46 -0.587 15.799 -1.101 1.00 0.00 C ATOM 1536 C PRO 2 46 -0.250 15.066 -2.401 1.00 0.00 C ATOM 1537 O PRO 2 46 -1.110 14.413 -2.991 1.00 0.00 O ATOM 1538 CB PRO 2 46 -1.226 14.895 -0.059 1.00 0.00 C ATOM 1539 CG PRO 2 46 -2.713 15.210 -0.088 1.00 0.00 C ATOM 1540 CD PRO 2 46 -2.900 16.505 -0.863 1.00 0.00 C ATOM 0 HA PRO 2 46 0.369 16.183 -0.745 1.00 0.00 H new ATOM 0 HB2 PRO 2 46 -1.045 13.845 -0.289 1.00 0.00 H new ATOM 0 HB3 PRO 2 46 -0.807 15.082 0.930 1.00 0.00 H new ATOM 0 HG2 PRO 2 46 -3.266 14.399 -0.561 1.00 0.00 H new ATOM 0 HG3 PRO 2 46 -3.102 15.312 0.925 1.00 0.00 H new ATOM 0 HD2 PRO 2 46 -3.591 16.372 -1.696 1.00 0.00 H new ATOM 0 HD3 PRO 2 46 -3.313 17.290 -0.229 1.00 0.00 H new ATOM 1548 N TRP 2 47 1.003 15.200 -2.809 1.00 0.00 N ATOM 1549 CA TRP 2 47 1.465 14.558 -4.029 1.00 0.00 C ATOM 1550 C TRP 2 47 1.950 13.153 -3.670 1.00 0.00 C ATOM 1551 O TRP 2 47 2.821 12.602 -4.341 1.00 0.00 O ATOM 1552 CB TRP 2 47 2.537 15.402 -4.720 1.00 0.00 C ATOM 1553 CG TRP 2 47 2.721 16.794 -4.113 1.00 0.00 C ATOM 1554 CD1 TRP 2 47 1.915 17.858 -4.230 1.00 0.00 C ATOM 1555 CD2 TRP 2 47 3.817 17.232 -3.282 1.00 0.00 C ATOM 1556 NE1 TRP 2 47 2.410 18.946 -3.541 1.00 0.00 N ATOM 1557 CE2 TRP 2 47 3.603 18.553 -2.945 1.00 0.00 C ATOM 1558 CE3 TRP 2 47 4.952 16.536 -2.831 1.00 0.00 C ATOM 1559 CZ2 TRP 2 47 4.481 19.292 -2.142 1.00 0.00 C ATOM 1560 CZ3 TRP 2 47 5.820 17.287 -2.030 1.00 0.00 C ATOM 1561 CH2 TRP 2 47 5.618 18.618 -1.681 1.00 0.00 C ATOM 0 H TRP 2 47 1.713 15.743 -2.317 1.00 0.00 H new ATOM 0 HA TRP 2 47 0.653 14.472 -4.751 1.00 0.00 H new ATOM 0 HB2 TRP 2 47 3.487 14.870 -4.677 1.00 0.00 H new ATOM 0 HB3 TRP 2 47 2.278 15.508 -5.774 1.00 0.00 H new ATOM 0 HD1 TRP 2 47 0.993 17.863 -4.793 1.00 0.00 H new ATOM 0 HE1 TRP 2 47 1.980 19.869 -3.480 1.00 0.00 H new ATOM 0 HE3 TRP 2 47 5.140 15.503 -3.083 1.00 0.00 H new ATOM 0 HZ2 TRP 2 47 4.291 20.325 -1.892 1.00 0.00 H new ATOM 0 HZ3 TRP 2 47 6.708 16.799 -1.657 1.00 0.00 H new ATOM 0 HH2 TRP 2 47 6.336 19.130 -1.057 1.00 0.00 H new ATOM 1572 N CYS 2 48 1.363 12.611 -2.612 1.00 0.00 N ATOM 1573 CA CYS 2 48 1.724 11.280 -2.155 1.00 0.00 C ATOM 1574 C CYS 2 48 0.708 10.842 -1.098 1.00 0.00 C ATOM 1575 O CYS 2 48 0.796 11.250 0.059 1.00 0.00 O ATOM 1576 CB CYS 2 48 3.158 11.234 -1.622 1.00 0.00 C ATOM 1577 SG CYS 2 48 3.840 9.551 -1.399 1.00 0.00 S ATOM 0 H CYS 2 48 0.640 13.070 -2.058 1.00 0.00 H new ATOM 0 HA CYS 2 48 1.696 10.585 -2.994 1.00 0.00 H new ATOM 0 HB2 CYS 2 48 3.803 11.784 -2.307 1.00 0.00 H new ATOM 0 HB3 CYS 2 48 3.192 11.754 -0.665 1.00 0.00 H new ATOM 1582 N PHE 2 49 -0.232 10.016 -1.534 1.00 0.00 N ATOM 1583 CA PHE 2 49 -1.263 9.519 -0.640 1.00 0.00 C ATOM 1584 C PHE 2 49 -1.525 8.031 -0.879 1.00 0.00 C ATOM 1585 O PHE 2 49 -0.771 7.371 -1.593 1.00 0.00 O ATOM 1586 CB PHE 2 49 -2.538 10.305 -0.947 1.00 0.00 C ATOM 1587 CG PHE 2 49 -2.628 10.808 -2.389 1.00 0.00 C ATOM 1588 CD1 PHE 2 49 -1.720 11.707 -2.853 1.00 0.00 C ATOM 1589 CD2 PHE 2 49 -3.616 10.355 -3.208 1.00 0.00 C ATOM 1590 CE1 PHE 2 49 -1.803 12.174 -4.192 1.00 0.00 C ATOM 1591 CE2 PHE 2 49 -3.699 10.820 -4.546 1.00 0.00 C ATOM 1592 CZ PHE 2 49 -2.791 11.720 -5.009 1.00 0.00 C ATOM 0 H PHE 2 49 -0.301 9.679 -2.494 1.00 0.00 H new ATOM 0 HA PHE 2 49 -0.948 9.643 0.396 1.00 0.00 H new ATOM 0 HB2 PHE 2 49 -3.401 9.673 -0.739 1.00 0.00 H new ATOM 0 HB3 PHE 2 49 -2.598 11.158 -0.271 1.00 0.00 H new ATOM 0 HD1 PHE 2 49 -0.935 12.066 -2.204 1.00 0.00 H new ATOM 0 HD2 PHE 2 49 -4.337 9.641 -2.839 1.00 0.00 H new ATOM 0 HE1 PHE 2 49 -1.082 12.889 -4.561 1.00 0.00 H new ATOM 0 HE2 PHE 2 49 -4.483 10.459 -5.196 1.00 0.00 H new ATOM 0 HZ PHE 2 49 -2.854 12.075 -6.027 1.00 0.00 H new ATOM 1602 N LYS 2 50 -2.597 7.546 -0.269 1.00 0.00 N ATOM 1603 CA LYS 2 50 -2.969 6.148 -0.409 1.00 0.00 C ATOM 1604 C LYS 2 50 -4.405 6.054 -0.925 1.00 0.00 C ATOM 1605 O LYS 2 50 -5.303 5.623 -0.203 1.00 0.00 O ATOM 1606 CB LYS 2 50 -2.739 5.400 0.907 1.00 0.00 C ATOM 1607 CG LYS 2 50 -3.393 6.136 2.078 1.00 0.00 C ATOM 1608 CD LYS 2 50 -2.336 6.677 3.043 1.00 0.00 C ATOM 1609 CE LYS 2 50 -1.430 5.554 3.551 1.00 0.00 C ATOM 1610 NZ LYS 2 50 -1.638 5.336 5.000 1.00 0.00 N ATOM 0 H LYS 2 50 -3.219 8.096 0.323 1.00 0.00 H new ATOM 0 HA LYS 2 50 -2.333 5.657 -1.146 1.00 0.00 H new ATOM 0 HB2 LYS 2 50 -3.147 4.392 0.833 1.00 0.00 H new ATOM 0 HB3 LYS 2 50 -1.669 5.298 1.089 1.00 0.00 H new ATOM 0 HG2 LYS 2 50 -4.002 6.958 1.701 1.00 0.00 H new ATOM 0 HG3 LYS 2 50 -4.063 5.460 2.609 1.00 0.00 H new ATOM 0 HD2 LYS 2 50 -1.735 7.435 2.541 1.00 0.00 H new ATOM 0 HD3 LYS 2 50 -2.824 7.165 3.887 1.00 0.00 H new ATOM 0 HE2 LYS 2 50 -1.640 4.634 3.005 1.00 0.00 H new ATOM 0 HE3 LYS 2 50 -0.387 5.806 3.361 1.00 0.00 H new ATOM 0 HZ1 LYS 2 50 -0.779 5.609 5.519 1.00 0.00 H new ATOM 0 HZ2 LYS 2 50 -2.439 5.914 5.327 1.00 0.00 H new ATOM 0 HZ3 LYS 2 50 -1.843 4.331 5.174 1.00 0.00 H new ATOM 1624 N PRO 2 51 -4.584 6.479 -2.205 1.00 0.00 N ATOM 1625 CA PRO 2 51 -5.896 6.448 -2.828 1.00 0.00 C ATOM 1626 C PRO 2 51 -6.288 5.019 -3.210 1.00 0.00 C ATOM 1627 O PRO 2 51 -6.763 4.256 -2.369 1.00 0.00 O ATOM 1628 CB PRO 2 51 -5.786 7.374 -4.027 1.00 0.00 C ATOM 1629 CG PRO 2 51 -4.297 7.524 -4.301 1.00 0.00 C ATOM 1630 CD PRO 2 51 -3.545 6.997 -3.090 1.00 0.00 C ATOM 0 HA PRO 2 51 -6.687 6.781 -2.157 1.00 0.00 H new ATOM 0 HB2 PRO 2 51 -6.302 6.957 -4.892 1.00 0.00 H new ATOM 0 HB3 PRO 2 51 -6.244 8.341 -3.818 1.00 0.00 H new ATOM 0 HG2 PRO 2 51 -4.016 6.969 -5.196 1.00 0.00 H new ATOM 0 HG3 PRO 2 51 -4.045 8.569 -4.482 1.00 0.00 H new ATOM 0 HD2 PRO 2 51 -2.839 6.216 -3.371 1.00 0.00 H new ATOM 0 HD3 PRO 2 51 -2.970 7.787 -2.606 1.00 0.00 H new ATOM 1638 N LEU 2 52 -6.076 4.700 -4.477 1.00 0.00 N ATOM 1639 CA LEU 2 52 -6.401 3.376 -4.981 1.00 0.00 C ATOM 1640 C LEU 2 52 -5.147 2.500 -4.947 1.00 0.00 C ATOM 1641 O LEU 2 52 -4.948 1.661 -5.823 1.00 0.00 O ATOM 1642 CB LEU 2 52 -7.046 3.473 -6.366 1.00 0.00 C ATOM 1643 CG LEU 2 52 -6.082 3.488 -7.554 1.00 0.00 C ATOM 1644 CD1 LEU 2 52 -6.207 2.205 -8.377 1.00 0.00 C ATOM 1645 CD2 LEU 2 52 -6.288 4.740 -8.411 1.00 0.00 C ATOM 0 H LEU 2 52 -5.683 5.336 -5.171 1.00 0.00 H new ATOM 0 HA LEU 2 52 -7.143 2.897 -4.342 1.00 0.00 H new ATOM 0 HB2 LEU 2 52 -7.728 2.631 -6.487 1.00 0.00 H new ATOM 0 HB3 LEU 2 52 -7.649 4.380 -6.401 1.00 0.00 H new ATOM 0 HG LEU 2 52 -5.064 3.525 -7.167 1.00 0.00 H new ATOM 0 HD11 LEU 2 52 -5.511 2.241 -9.215 1.00 0.00 H new ATOM 0 HD12 LEU 2 52 -5.974 1.345 -7.749 1.00 0.00 H new ATOM 0 HD13 LEU 2 52 -7.225 2.113 -8.755 1.00 0.00 H new ATOM 0 HD21 LEU 2 52 -5.591 4.726 -9.249 1.00 0.00 H new ATOM 0 HD22 LEU 2 52 -7.310 4.758 -8.790 1.00 0.00 H new ATOM 0 HD23 LEU 2 52 -6.110 5.629 -7.805 1.00 0.00 H new ATOM 1657 N GLN 2 53 -4.335 2.725 -3.924 1.00 0.00 N ATOM 1658 CA GLN 2 53 -3.107 1.967 -3.764 1.00 0.00 C ATOM 1659 C GLN 2 53 -3.377 0.473 -3.951 1.00 0.00 C ATOM 1660 O GLN 2 53 -2.467 -0.291 -4.273 1.00 0.00 O ATOM 1661 CB GLN 2 53 -2.466 2.241 -2.402 1.00 0.00 C ATOM 1662 CG GLN 2 53 -2.067 3.712 -2.270 1.00 0.00 C ATOM 1663 CD GLN 2 53 -1.066 4.108 -3.358 1.00 0.00 C ATOM 1664 OE1 GLN 2 53 -1.103 5.199 -3.904 1.00 0.00 O ATOM 1665 NE2 GLN 2 53 -0.174 3.164 -3.643 1.00 0.00 N ATOM 0 H GLN 2 53 -4.504 3.421 -3.198 1.00 0.00 H new ATOM 0 HA GLN 2 53 -2.403 2.289 -4.532 1.00 0.00 H new ATOM 0 HB2 GLN 2 53 -3.164 1.977 -1.608 1.00 0.00 H new ATOM 0 HB3 GLN 2 53 -1.587 1.609 -2.276 1.00 0.00 H new ATOM 0 HG2 GLN 2 53 -2.954 4.341 -2.341 1.00 0.00 H new ATOM 0 HG3 GLN 2 53 -1.630 3.887 -1.287 1.00 0.00 H new ATOM 0 HE21 GLN 2 53 -0.199 2.272 -3.148 1.00 0.00 H new ATOM 0 HE22 GLN 2 53 0.535 3.331 -4.357 1.00 0.00 H new ATOM 1674 N GLU 2 54 -4.631 0.100 -3.743 1.00 0.00 N ATOM 1675 CA GLU 2 54 -5.033 -1.290 -3.885 1.00 0.00 C ATOM 1676 C GLU 2 54 -4.277 -1.945 -5.043 1.00 0.00 C ATOM 1677 O GLU 2 54 -4.081 -3.159 -5.053 1.00 0.00 O ATOM 1678 CB GLU 2 54 -6.545 -1.405 -4.081 1.00 0.00 C ATOM 1679 CG GLU 2 54 -6.949 -0.975 -5.493 1.00 0.00 C ATOM 1680 CD GLU 2 54 -7.401 -2.177 -6.325 1.00 0.00 C ATOM 1681 OE1 GLU 2 54 -8.001 -3.092 -5.721 1.00 0.00 O ATOM 1682 OE2 GLU 2 54 -7.137 -2.154 -7.546 1.00 0.00 O ATOM 0 H GLU 2 54 -5.383 0.736 -3.477 1.00 0.00 H new ATOM 0 HA GLU 2 54 -4.778 -1.818 -2.966 1.00 0.00 H new ATOM 0 HB2 GLU 2 54 -6.861 -2.433 -3.906 1.00 0.00 H new ATOM 0 HB3 GLU 2 54 -7.059 -0.784 -3.347 1.00 0.00 H new ATOM 0 HG2 GLU 2 54 -7.755 -0.243 -5.437 1.00 0.00 H new ATOM 0 HG3 GLU 2 54 -6.107 -0.485 -5.983 1.00 0.00 H new ATOM 1689 N ALA 2 55 -3.872 -1.111 -5.990 1.00 0.00 N ATOM 1690 CA ALA 2 55 -3.143 -1.594 -7.151 1.00 0.00 C ATOM 1691 C ALA 2 55 -2.287 -2.797 -6.745 1.00 0.00 C ATOM 1692 O ALA 2 55 -2.523 -3.914 -7.204 1.00 0.00 O ATOM 1693 CB ALA 2 55 -2.307 -0.456 -7.738 1.00 0.00 C ATOM 0 H ALA 2 55 -4.035 -0.104 -5.977 1.00 0.00 H new ATOM 0 HA ALA 2 55 -3.833 -1.926 -7.927 1.00 0.00 H new ATOM 0 HB1 ALA 2 55 -1.760 -0.818 -8.609 1.00 0.00 H new ATOM 0 HB2 ALA 2 55 -2.963 0.362 -8.036 1.00 0.00 H new ATOM 0 HB3 ALA 2 55 -1.601 -0.099 -6.988 1.00 0.00 H new ATOM 1699 N GLU 2 56 -1.312 -2.527 -5.890 1.00 0.00 N ATOM 1700 CA GLU 2 56 -0.421 -3.573 -5.417 1.00 0.00 C ATOM 1701 C GLU 2 56 -0.226 -3.461 -3.904 1.00 0.00 C ATOM 1702 O GLU 2 56 0.654 -4.108 -3.338 1.00 0.00 O ATOM 1703 CB GLU 2 56 0.923 -3.519 -6.148 1.00 0.00 C ATOM 1704 CG GLU 2 56 1.045 -4.667 -7.153 1.00 0.00 C ATOM 1705 CD GLU 2 56 1.903 -4.256 -8.351 1.00 0.00 C ATOM 1706 OE1 GLU 2 56 3.041 -3.800 -8.106 1.00 0.00 O ATOM 1707 OE2 GLU 2 56 1.402 -4.406 -9.486 1.00 0.00 O ATOM 0 H GLU 2 56 -1.119 -1.599 -5.512 1.00 0.00 H new ATOM 0 HA GLU 2 56 -0.878 -4.538 -5.634 1.00 0.00 H new ATOM 0 HB2 GLU 2 56 1.022 -2.565 -6.666 1.00 0.00 H new ATOM 0 HB3 GLU 2 56 1.737 -3.575 -5.425 1.00 0.00 H new ATOM 0 HG2 GLU 2 56 1.486 -5.536 -6.666 1.00 0.00 H new ATOM 0 HG3 GLU 2 56 0.053 -4.963 -7.495 1.00 0.00 H new ATOM 1714 N CYS 2 57 -1.062 -2.635 -3.291 1.00 0.00 N ATOM 1715 CA CYS 2 57 -0.993 -2.430 -1.854 1.00 0.00 C ATOM 1716 C CYS 2 57 -1.846 -3.503 -1.175 1.00 0.00 C ATOM 1717 O CYS 2 57 -1.328 -4.335 -0.433 1.00 0.00 O ATOM 1718 CB CYS 2 57 -1.431 -1.018 -1.462 1.00 0.00 C ATOM 1719 SG CYS 2 57 -0.099 0.042 -0.792 1.00 0.00 S ATOM 0 H CYS 2 57 -1.791 -2.100 -3.764 1.00 0.00 H new ATOM 0 HA CYS 2 57 0.040 -2.524 -1.519 1.00 0.00 H new ATOM 0 HB2 CYS 2 57 -1.859 -0.530 -2.338 1.00 0.00 H new ATOM 0 HB3 CYS 2 57 -2.225 -1.092 -0.719 1.00 0.00 H new ATOM 1724 N THR 2 58 -3.141 -3.447 -1.452 1.00 0.00 N ATOM 1725 CA THR 2 58 -4.072 -4.403 -0.877 1.00 0.00 C ATOM 1726 C THR 2 58 -3.793 -5.808 -1.415 1.00 0.00 C ATOM 1727 O THR 2 58 -3.647 -6.755 -0.642 1.00 0.00 O ATOM 1728 CB THR 2 58 -5.492 -3.912 -1.165 1.00 0.00 C ATOM 1729 OG1 THR 2 58 -6.277 -4.494 -0.128 1.00 0.00 O ATOM 1730 CG2 THR 2 58 -6.068 -4.510 -2.449 1.00 0.00 C ATOM 0 H THR 2 58 -3.567 -2.754 -2.067 1.00 0.00 H new ATOM 0 HA THR 2 58 -3.951 -4.473 0.204 1.00 0.00 H new ATOM 0 HB THR 2 58 -5.493 -2.825 -1.239 1.00 0.00 H new ATOM 0 HG1 THR 2 58 -5.886 -5.354 0.135 1.00 0.00 H new ATOM 0 HG21 THR 2 58 -7.077 -4.129 -2.607 1.00 0.00 H new ATOM 0 HG22 THR 2 58 -5.439 -4.232 -3.294 1.00 0.00 H new ATOM 0 HG23 THR 2 58 -6.099 -5.596 -2.362 1.00 0.00 H new ATOM 1738 N PHE 2 59 -3.728 -5.899 -2.734 1.00 0.00 N ATOM 1739 CA PHE 2 59 -3.469 -7.173 -3.385 1.00 0.00 C ATOM 1740 C PHE 2 59 -2.540 -8.043 -2.536 1.00 0.00 C ATOM 1741 O PHE 2 59 -2.018 -9.049 -3.014 1.00 0.00 O ATOM 1742 CB PHE 2 59 -2.783 -6.864 -4.716 1.00 0.00 C ATOM 1743 CG PHE 2 59 -3.628 -7.207 -5.946 1.00 0.00 C ATOM 1744 CD1 PHE 2 59 -4.850 -6.633 -6.111 1.00 0.00 C ATOM 1745 CD2 PHE 2 59 -3.157 -8.084 -6.872 1.00 0.00 C ATOM 1746 CE1 PHE 2 59 -5.634 -6.951 -7.252 1.00 0.00 C ATOM 1747 CE2 PHE 2 59 -3.941 -8.402 -8.012 1.00 0.00 C ATOM 1748 CZ PHE 2 59 -5.163 -7.829 -8.179 1.00 0.00 C ATOM 0 H PHE 2 59 -3.850 -5.112 -3.371 1.00 0.00 H new ATOM 0 HA PHE 2 59 -4.404 -7.716 -3.526 1.00 0.00 H new ATOM 0 HB2 PHE 2 59 -2.530 -5.804 -4.745 1.00 0.00 H new ATOM 0 HB3 PHE 2 59 -1.845 -7.417 -4.767 1.00 0.00 H new ATOM 0 HD1 PHE 2 59 -5.224 -5.936 -5.375 1.00 0.00 H new ATOM 0 HD2 PHE 2 59 -2.186 -8.539 -6.740 1.00 0.00 H new ATOM 0 HE1 PHE 2 59 -6.604 -6.496 -7.384 1.00 0.00 H new ATOM 0 HE2 PHE 2 59 -3.567 -9.099 -8.747 1.00 0.00 H new ATOM 0 HZ PHE 2 59 -5.759 -8.071 -9.047 1.00 0.00 H new TER 1758 PHE 2 59