USER MOD reduce.3.24.130724 H: found=0, std=0, add=846, 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 Single : 1 1 GLU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 3 TYR OH : rot 180:sc= 0 USER MOD Single : 1 7 SER OG : rot -133:sc= 0.769 USER MOD Single : 1 9 ASN : amide:sc= -0.0373 X(o=-0.037,f=-0.3) USER MOD Single : 1 10 GLN : amide:sc= -19.3! C(o=-19!,f=-19!) USER MOD Single : 1 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 23 TYR OH : rot 50:sc= -2.21! USER MOD Single : 1 25 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : 1 27 THR OG1 : rot 60:sc= 0.00631 USER MOD Single : 1 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 32 ASN :FLIP amide:sc= -0.163 F(o=-2,f=-0.16) USER MOD Single : 1 33 ASN : amide:sc= -0.136 K(o=-0.14,f=-2.3!) USER MOD Single : 1 40 SER OG : rot 114:sc= 0.494 USER MOD Single : 1 50 LYS NZ :NH3+ -153:sc= -1.1 (180deg=-2.05!) USER MOD Single : 1 53 GLN : amide:sc= -10.6! C(o=-11!,f=-15!) USER MOD Single : 1 58 THR OG1 : rot -33:sc= -2.76 USER MOD Single : 2 1 GLU N :NH3+ -129:sc= -0.301 (180deg=-1.49!) USER MOD Single : 2 3 TYR OH : rot 180:sc= 0 USER MOD Single : 2 7 SER OG : rot 180:sc= 0 USER MOD Single : 2 9 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : 2 10 GLN :FLIP amide:sc= -2.33! C(o=-5.2!,f=-2.3!) USER MOD Single : 2 16 LYS NZ :NH3+ -131:sc= -0.0376 (180deg=-0.381) USER MOD Single : 2 23 TYR OH : rot -154:sc= -1.29 USER MOD Single : 2 25 HIS : no HD1:sc= -0.0867 X(o=-0.087,f=0) USER MOD Single : 2 27 THR OG1 : rot 180:sc= -0.0399 USER MOD Single : 2 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 2 32 ASN :FLIP amide:sc= -0.0933 F(o=-1.2,f=-0.093) USER MOD Single : 2 33 ASN : amide:sc= -0.325 K(o=-0.33,f=-2.6!) USER MOD Single : 2 40 SER OG : rot 92:sc= 0.627 USER MOD Single : 2 50 LYS NZ :NH3+ -147:sc= -2.85 (180deg=-4.12!) USER MOD Single : 2 53 GLN : amide:sc= -15.4! C(o=-15!,f=-23!) USER MOD Single : 2 58 THR OG1 : rot 180:sc= -2.24 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU 1 1 -16.605 -6.736 -0.404 1.00 0.00 N ATOM 2 CA GLU 1 1 -17.127 -7.811 -1.230 1.00 0.00 C ATOM 3 C GLU 1 1 -16.438 -9.132 -0.880 1.00 0.00 C ATOM 4 O GLU 1 1 -16.352 -9.499 0.291 1.00 0.00 O ATOM 5 CB GLU 1 1 -16.967 -7.487 -2.717 1.00 0.00 C ATOM 6 CG GLU 1 1 -17.885 -8.364 -3.571 1.00 0.00 C ATOM 7 CD GLU 1 1 -17.346 -8.498 -4.995 1.00 0.00 C ATOM 8 OE1 GLU 1 1 -17.649 -7.594 -5.804 1.00 0.00 O ATOM 9 OE2 GLU 1 1 -16.643 -9.501 -5.245 1.00 0.00 O ATOM 0 H1 GLU 1 1 -17.081 -5.845 -0.652 1.00 0.00 H new ATOM 0 H2 GLU 1 1 -16.777 -6.953 0.598 1.00 0.00 H new ATOM 0 H3 GLU 1 1 -15.582 -6.639 -0.566 1.00 0.00 H new ATOM 0 HA GLU 1 1 -18.193 -7.914 -1.027 1.00 0.00 H new ATOM 0 HB2 GLU 1 1 -17.197 -6.436 -2.891 1.00 0.00 H new ATOM 0 HB3 GLU 1 1 -15.930 -7.640 -3.017 1.00 0.00 H new ATOM 0 HG2 GLU 1 1 -17.975 -9.351 -3.118 1.00 0.00 H new ATOM 0 HG3 GLU 1 1 -18.886 -7.933 -3.596 1.00 0.00 H new ATOM 16 N GLU 1 2 -15.967 -9.809 -1.916 1.00 0.00 N ATOM 17 CA GLU 1 2 -15.288 -11.081 -1.731 1.00 0.00 C ATOM 18 C GLU 1 2 -13.791 -10.857 -1.510 1.00 0.00 C ATOM 19 O GLU 1 2 -12.967 -11.646 -1.970 1.00 0.00 O ATOM 20 CB GLU 1 2 -15.534 -12.010 -2.922 1.00 0.00 C ATOM 21 CG GLU 1 2 -15.297 -13.472 -2.534 1.00 0.00 C ATOM 22 CD GLU 1 2 -15.331 -14.378 -3.767 1.00 0.00 C ATOM 23 OE1 GLU 1 2 -14.741 -13.966 -4.790 1.00 0.00 O ATOM 24 OE2 GLU 1 2 -15.944 -15.461 -3.659 1.00 0.00 O ATOM 0 H GLU 1 2 -16.042 -9.502 -2.886 1.00 0.00 H new ATOM 0 HA GLU 1 2 -15.697 -11.564 -0.844 1.00 0.00 H new ATOM 0 HB2 GLU 1 2 -16.556 -11.886 -3.280 1.00 0.00 H new ATOM 0 HB3 GLU 1 2 -14.873 -11.736 -3.744 1.00 0.00 H new ATOM 0 HG2 GLU 1 2 -14.333 -13.568 -2.034 1.00 0.00 H new ATOM 0 HG3 GLU 1 2 -16.058 -13.791 -1.822 1.00 0.00 H new ATOM 31 N TYR 1 3 -13.484 -9.777 -0.807 1.00 0.00 N ATOM 32 CA TYR 1 3 -12.101 -9.440 -0.519 1.00 0.00 C ATOM 33 C TYR 1 3 -11.647 -10.064 0.802 1.00 0.00 C ATOM 34 O TYR 1 3 -11.613 -9.393 1.831 1.00 0.00 O ATOM 35 CB TYR 1 3 -12.057 -7.916 -0.391 1.00 0.00 C ATOM 36 CG TYR 1 3 -11.752 -7.189 -1.701 1.00 0.00 C ATOM 37 CD1 TYR 1 3 -12.336 -7.613 -2.878 1.00 0.00 C ATOM 38 CD2 TYR 1 3 -10.893 -6.108 -1.708 1.00 0.00 C ATOM 39 CE1 TYR 1 3 -12.049 -6.929 -4.112 1.00 0.00 C ATOM 40 CE2 TYR 1 3 -10.607 -5.424 -2.942 1.00 0.00 C ATOM 41 CZ TYR 1 3 -11.198 -5.868 -4.083 1.00 0.00 C ATOM 42 OH TYR 1 3 -10.928 -5.222 -5.249 1.00 0.00 O ATOM 0 H TYR 1 3 -14.170 -9.124 -0.428 1.00 0.00 H new ATOM 0 HA TYR 1 3 -11.444 -9.813 -1.304 1.00 0.00 H new ATOM 0 HB2 TYR 1 3 -13.016 -7.566 -0.008 1.00 0.00 H new ATOM 0 HB3 TYR 1 3 -11.302 -7.646 0.347 1.00 0.00 H new ATOM 0 HD1 TYR 1 3 -13.008 -8.458 -2.873 1.00 0.00 H new ATOM 0 HD2 TYR 1 3 -10.436 -5.776 -0.788 1.00 0.00 H new ATOM 0 HE1 TYR 1 3 -12.499 -7.251 -5.040 1.00 0.00 H new ATOM 0 HE2 TYR 1 3 -9.938 -4.577 -2.961 1.00 0.00 H new ATOM 0 HH TYR 1 3 -10.306 -4.484 -5.078 1.00 0.00 H new ATOM 52 N VAL 1 4 -11.309 -11.344 0.728 1.00 0.00 N ATOM 53 CA VAL 1 4 -10.859 -12.067 1.905 1.00 0.00 C ATOM 54 C VAL 1 4 -9.380 -12.423 1.745 1.00 0.00 C ATOM 55 O VAL 1 4 -8.573 -12.155 2.635 1.00 0.00 O ATOM 56 CB VAL 1 4 -11.746 -13.292 2.139 1.00 0.00 C ATOM 57 CG1 VAL 1 4 -12.359 -13.783 0.825 1.00 0.00 C ATOM 58 CG2 VAL 1 4 -10.966 -14.411 2.832 1.00 0.00 C ATOM 0 H VAL 1 4 -11.338 -11.898 -0.128 1.00 0.00 H new ATOM 0 HA VAL 1 4 -10.949 -11.442 2.794 1.00 0.00 H new ATOM 0 HB VAL 1 4 -12.561 -12.994 2.799 1.00 0.00 H new ATOM 0 HG11 VAL 1 4 -12.985 -14.654 1.019 1.00 0.00 H new ATOM 0 HG12 VAL 1 4 -12.966 -12.990 0.388 1.00 0.00 H new ATOM 0 HG13 VAL 1 4 -11.563 -14.055 0.131 1.00 0.00 H new ATOM 0 HG21 VAL 1 4 -11.620 -15.269 2.986 1.00 0.00 H new ATOM 0 HG22 VAL 1 4 -10.122 -14.706 2.209 1.00 0.00 H new ATOM 0 HG23 VAL 1 4 -10.600 -14.056 3.795 1.00 0.00 H new ATOM 68 N GLY 1 5 -9.068 -13.021 0.605 1.00 0.00 N ATOM 69 CA GLY 1 5 -7.699 -13.416 0.316 1.00 0.00 C ATOM 70 C GLY 1 5 -6.824 -12.193 0.033 1.00 0.00 C ATOM 71 O GLY 1 5 -5.652 -12.332 -0.316 1.00 0.00 O ATOM 0 H GLY 1 5 -9.740 -13.242 -0.130 1.00 0.00 H new ATOM 0 HA2 GLY 1 5 -7.291 -13.972 1.160 1.00 0.00 H new ATOM 0 HA3 GLY 1 5 -7.684 -14.086 -0.544 1.00 0.00 H new ATOM 75 N LEU 1 6 -7.426 -11.024 0.193 1.00 0.00 N ATOM 76 CA LEU 1 6 -6.716 -9.779 -0.042 1.00 0.00 C ATOM 77 C LEU 1 6 -6.946 -8.834 1.140 1.00 0.00 C ATOM 78 O LEU 1 6 -6.419 -7.723 1.164 1.00 0.00 O ATOM 79 CB LEU 1 6 -7.115 -9.180 -1.392 1.00 0.00 C ATOM 80 CG LEU 1 6 -7.556 -10.179 -2.464 1.00 0.00 C ATOM 81 CD1 LEU 1 6 -6.486 -11.248 -2.692 1.00 0.00 C ATOM 82 CD2 LEU 1 6 -8.914 -10.793 -2.115 1.00 0.00 C ATOM 0 H LEU 1 6 -8.398 -10.913 0.483 1.00 0.00 H new ATOM 0 HA LEU 1 6 -5.643 -9.960 -0.103 1.00 0.00 H new ATOM 0 HB2 LEU 1 6 -7.927 -8.472 -1.227 1.00 0.00 H new ATOM 0 HB3 LEU 1 6 -6.270 -8.611 -1.779 1.00 0.00 H new ATOM 0 HG LEU 1 6 -7.677 -9.640 -3.404 1.00 0.00 H new ATOM 0 HD11 LEU 1 6 -6.825 -11.945 -3.459 1.00 0.00 H new ATOM 0 HD12 LEU 1 6 -5.561 -10.773 -3.017 1.00 0.00 H new ATOM 0 HD13 LEU 1 6 -6.309 -11.789 -1.763 1.00 0.00 H new ATOM 0 HD21 LEU 1 6 -9.205 -11.499 -2.893 1.00 0.00 H new ATOM 0 HD22 LEU 1 6 -8.843 -11.314 -1.160 1.00 0.00 H new ATOM 0 HD23 LEU 1 6 -9.663 -10.004 -2.044 1.00 0.00 H new ATOM 94 N SER 1 7 -7.735 -9.311 2.092 1.00 0.00 N ATOM 95 CA SER 1 7 -8.041 -8.524 3.275 1.00 0.00 C ATOM 96 C SER 1 7 -7.317 -9.103 4.491 1.00 0.00 C ATOM 97 O SER 1 7 -6.250 -9.700 4.357 1.00 0.00 O ATOM 98 CB SER 1 7 -9.549 -8.475 3.528 1.00 0.00 C ATOM 99 OG SER 1 7 -9.876 -7.663 4.652 1.00 0.00 O ATOM 0 H SER 1 7 -8.172 -10.233 2.068 1.00 0.00 H new ATOM 0 HA SER 1 7 -7.695 -7.504 3.107 1.00 0.00 H new ATOM 0 HB2 SER 1 7 -10.053 -8.088 2.642 1.00 0.00 H new ATOM 0 HB3 SER 1 7 -9.922 -9.486 3.690 1.00 0.00 H new ATOM 0 HG SER 1 7 -10.514 -8.138 5.225 1.00 0.00 H new ATOM 105 N ALA 1 8 -7.926 -8.906 5.652 1.00 0.00 N ATOM 106 CA ALA 1 8 -7.352 -9.402 6.891 1.00 0.00 C ATOM 107 C ALA 1 8 -7.200 -10.922 6.806 1.00 0.00 C ATOM 108 O ALA 1 8 -8.097 -11.613 6.327 1.00 0.00 O ATOM 109 CB ALA 1 8 -8.229 -8.968 8.068 1.00 0.00 C ATOM 0 H ALA 1 8 -8.811 -8.410 5.760 1.00 0.00 H new ATOM 0 HA ALA 1 8 -6.359 -8.981 7.050 1.00 0.00 H new ATOM 0 HB1 ALA 1 8 -7.799 -9.340 8.998 1.00 0.00 H new ATOM 0 HB2 ALA 1 8 -8.281 -7.880 8.101 1.00 0.00 H new ATOM 0 HB3 ALA 1 8 -9.232 -9.375 7.944 1.00 0.00 H new ATOM 115 N ASN 1 9 -6.056 -11.396 7.278 1.00 0.00 N ATOM 116 CA ASN 1 9 -5.775 -12.822 7.262 1.00 0.00 C ATOM 117 C ASN 1 9 -5.001 -13.170 5.989 1.00 0.00 C ATOM 118 O ASN 1 9 -4.304 -14.182 5.939 1.00 0.00 O ATOM 119 CB ASN 1 9 -7.069 -13.640 7.266 1.00 0.00 C ATOM 120 CG ASN 1 9 -6.833 -15.036 7.843 1.00 0.00 C ATOM 121 OD1 ASN 1 9 -7.341 -15.397 8.892 1.00 0.00 O ATOM 122 ND2 ASN 1 9 -6.034 -15.800 7.102 1.00 0.00 N ATOM 0 H ASN 1 9 -5.314 -10.819 7.673 1.00 0.00 H new ATOM 0 HA ASN 1 9 -5.195 -13.061 8.153 1.00 0.00 H new ATOM 0 HB2 ASN 1 9 -7.828 -13.123 7.853 1.00 0.00 H new ATOM 0 HB3 ASN 1 9 -7.454 -13.723 6.250 1.00 0.00 H new ATOM 0 HD21 ASN 1 9 -5.814 -16.750 7.402 1.00 0.00 H new ATOM 0 HD22 ASN 1 9 -5.642 -15.436 6.234 1.00 0.00 H new ATOM 129 N GLN 1 10 -5.150 -12.311 4.990 1.00 0.00 N ATOM 130 CA GLN 1 10 -4.474 -12.515 3.721 1.00 0.00 C ATOM 131 C GLN 1 10 -2.957 -12.464 3.913 1.00 0.00 C ATOM 132 O GLN 1 10 -2.213 -13.140 3.202 1.00 0.00 O ATOM 133 CB GLN 1 10 -4.930 -11.486 2.684 1.00 0.00 C ATOM 134 CG GLN 1 10 -3.956 -10.308 2.617 1.00 0.00 C ATOM 135 CD GLN 1 10 -2.942 -10.500 1.487 1.00 0.00 C ATOM 136 OE1 GLN 1 10 -2.039 -11.318 1.560 1.00 0.00 O ATOM 137 NE2 GLN 1 10 -3.142 -9.704 0.440 1.00 0.00 N ATOM 0 H GLN 1 10 -5.729 -11.473 5.035 1.00 0.00 H new ATOM 0 HA GLN 1 10 -4.740 -13.503 3.345 1.00 0.00 H new ATOM 0 HB2 GLN 1 10 -5.003 -11.959 1.705 1.00 0.00 H new ATOM 0 HB3 GLN 1 10 -5.926 -11.125 2.938 1.00 0.00 H new ATOM 0 HG2 GLN 1 10 -4.509 -9.382 2.461 1.00 0.00 H new ATOM 0 HG3 GLN 1 10 -3.432 -10.210 3.568 1.00 0.00 H new ATOM 0 HE21 GLN 1 10 -3.917 -9.041 0.444 1.00 0.00 H new ATOM 0 HE22 GLN 1 10 -2.520 -9.756 -0.367 1.00 0.00 H new ATOM 146 N CYS 1 11 -2.542 -11.657 4.878 1.00 0.00 N ATOM 147 CA CYS 1 11 -1.126 -11.508 5.173 1.00 0.00 C ATOM 148 C CYS 1 11 -0.623 -12.820 5.778 1.00 0.00 C ATOM 149 O CYS 1 11 0.572 -12.972 6.029 1.00 0.00 O ATOM 150 CB CYS 1 11 -0.863 -10.315 6.094 1.00 0.00 C ATOM 151 SG CYS 1 11 0.884 -10.106 6.598 1.00 0.00 S ATOM 0 H CYS 1 11 -3.161 -11.099 5.466 1.00 0.00 H new ATOM 0 HA CYS 1 11 -0.579 -11.299 4.254 1.00 0.00 H new ATOM 0 HB2 CYS 1 11 -1.193 -9.406 5.591 1.00 0.00 H new ATOM 0 HB3 CYS 1 11 -1.475 -10.424 6.990 1.00 0.00 H new ATOM 156 N ALA 1 12 -1.558 -13.732 5.997 1.00 0.00 N ATOM 157 CA ALA 1 12 -1.223 -15.026 6.568 1.00 0.00 C ATOM 158 C ALA 1 12 -1.163 -16.071 5.453 1.00 0.00 C ATOM 159 O ALA 1 12 -1.199 -17.271 5.720 1.00 0.00 O ATOM 160 CB ALA 1 12 -2.243 -15.384 7.650 1.00 0.00 C ATOM 0 H ALA 1 12 -2.548 -13.601 5.789 1.00 0.00 H new ATOM 0 HA ALA 1 12 -0.242 -14.995 7.042 1.00 0.00 H new ATOM 0 HB1 ALA 1 12 -1.993 -16.354 8.079 1.00 0.00 H new ATOM 0 HB2 ALA 1 12 -2.225 -14.626 8.433 1.00 0.00 H new ATOM 0 HB3 ALA 1 12 -3.240 -15.428 7.210 1.00 0.00 H new ATOM 166 N VAL 1 13 -1.074 -15.577 4.227 1.00 0.00 N ATOM 167 CA VAL 1 13 -1.009 -16.454 3.070 1.00 0.00 C ATOM 168 C VAL 1 13 -0.016 -17.585 3.348 1.00 0.00 C ATOM 169 O VAL 1 13 0.747 -17.523 4.310 1.00 0.00 O ATOM 170 CB VAL 1 13 -0.658 -15.645 1.819 1.00 0.00 C ATOM 171 CG1 VAL 1 13 0.769 -15.942 1.357 1.00 0.00 C ATOM 172 CG2 VAL 1 13 -1.664 -15.907 0.696 1.00 0.00 C ATOM 0 H VAL 1 13 -1.045 -14.581 4.009 1.00 0.00 H new ATOM 0 HA VAL 1 13 -1.980 -16.912 2.883 1.00 0.00 H new ATOM 0 HB VAL 1 13 -0.713 -14.588 2.078 1.00 0.00 H new ATOM 0 HG11 VAL 1 13 0.993 -15.354 0.467 1.00 0.00 H new ATOM 0 HG12 VAL 1 13 1.470 -15.681 2.150 1.00 0.00 H new ATOM 0 HG13 VAL 1 13 0.863 -17.003 1.125 1.00 0.00 H new ATOM 0 HG21 VAL 1 13 -1.391 -15.320 -0.181 1.00 0.00 H new ATOM 0 HG22 VAL 1 13 -1.656 -16.967 0.440 1.00 0.00 H new ATOM 0 HG23 VAL 1 13 -2.662 -15.621 1.028 1.00 0.00 H new ATOM 182 N PRO 1 14 -0.061 -18.619 2.465 1.00 0.00 N ATOM 183 CA PRO 1 14 0.824 -19.762 2.605 1.00 0.00 C ATOM 184 C PRO 1 14 2.248 -19.409 2.172 1.00 0.00 C ATOM 185 O PRO 1 14 3.001 -20.278 1.737 1.00 0.00 O ATOM 186 CB PRO 1 14 0.197 -20.853 1.752 1.00 0.00 C ATOM 187 CG PRO 1 14 -0.755 -20.143 0.802 1.00 0.00 C ATOM 188 CD PRO 1 14 -0.953 -18.726 1.314 1.00 0.00 C ATOM 0 HA PRO 1 14 0.924 -20.092 3.639 1.00 0.00 H new ATOM 0 HB2 PRO 1 14 0.959 -21.405 1.201 1.00 0.00 H new ATOM 0 HB3 PRO 1 14 -0.335 -21.575 2.371 1.00 0.00 H new ATOM 0 HG2 PRO 1 14 -0.347 -20.130 -0.209 1.00 0.00 H new ATOM 0 HG3 PRO 1 14 -1.709 -20.668 0.754 1.00 0.00 H new ATOM 0 HD2 PRO 1 14 -0.703 -17.990 0.550 1.00 0.00 H new ATOM 0 HD3 PRO 1 14 -1.990 -18.549 1.599 1.00 0.00 H new ATOM 196 N ALA 1 15 2.574 -18.132 2.308 1.00 0.00 N ATOM 197 CA ALA 1 15 3.895 -17.652 1.936 1.00 0.00 C ATOM 198 C ALA 1 15 4.238 -18.157 0.532 1.00 0.00 C ATOM 199 O ALA 1 15 5.157 -18.957 0.365 1.00 0.00 O ATOM 200 CB ALA 1 15 4.915 -18.103 2.983 1.00 0.00 C ATOM 0 H ALA 1 15 1.946 -17.415 2.671 1.00 0.00 H new ATOM 0 HA ALA 1 15 3.915 -16.563 1.909 1.00 0.00 H new ATOM 0 HB1 ALA 1 15 5.906 -17.743 2.704 1.00 0.00 H new ATOM 0 HB2 ALA 1 15 4.642 -17.696 3.956 1.00 0.00 H new ATOM 0 HB3 ALA 1 15 4.926 -19.192 3.035 1.00 0.00 H new ATOM 206 N LYS 1 16 3.482 -17.668 -0.439 1.00 0.00 N ATOM 207 CA LYS 1 16 3.696 -18.058 -1.822 1.00 0.00 C ATOM 208 C LYS 1 16 2.598 -17.447 -2.695 1.00 0.00 C ATOM 209 O LYS 1 16 2.134 -18.075 -3.645 1.00 0.00 O ATOM 210 CB LYS 1 16 3.798 -19.581 -1.939 1.00 0.00 C ATOM 211 CG LYS 1 16 2.782 -20.270 -1.027 1.00 0.00 C ATOM 212 CD LYS 1 16 1.794 -21.109 -1.839 1.00 0.00 C ATOM 213 CE LYS 1 16 2.425 -22.436 -2.267 1.00 0.00 C ATOM 214 NZ LYS 1 16 1.387 -23.364 -2.769 1.00 0.00 N ATOM 0 H LYS 1 16 2.720 -17.005 -0.296 1.00 0.00 H new ATOM 0 HA LYS 1 16 4.647 -17.668 -2.185 1.00 0.00 H new ATOM 0 HB2 LYS 1 16 3.627 -19.882 -2.973 1.00 0.00 H new ATOM 0 HB3 LYS 1 16 4.806 -19.903 -1.676 1.00 0.00 H new ATOM 0 HG2 LYS 1 16 3.303 -20.907 -0.312 1.00 0.00 H new ATOM 0 HG3 LYS 1 16 2.240 -19.521 -0.450 1.00 0.00 H new ATOM 0 HD2 LYS 1 16 0.901 -21.302 -1.245 1.00 0.00 H new ATOM 0 HD3 LYS 1 16 1.477 -20.552 -2.720 1.00 0.00 H new ATOM 0 HE2 LYS 1 16 3.169 -22.258 -3.044 1.00 0.00 H new ATOM 0 HE3 LYS 1 16 2.947 -22.887 -1.423 1.00 0.00 H new ATOM 0 HZ1 LYS 1 16 1.831 -24.260 -3.055 1.00 0.00 H new ATOM 0 HZ2 LYS 1 16 0.692 -23.547 -2.017 1.00 0.00 H new ATOM 0 HZ3 LYS 1 16 0.907 -22.938 -3.588 1.00 0.00 H new ATOM 228 N ASP 1 17 2.216 -16.228 -2.343 1.00 0.00 N ATOM 229 CA ASP 1 17 1.182 -15.524 -3.082 1.00 0.00 C ATOM 230 C ASP 1 17 1.334 -14.019 -2.856 1.00 0.00 C ATOM 231 O ASP 1 17 0.435 -13.245 -3.179 1.00 0.00 O ATOM 232 CB ASP 1 17 -0.212 -15.936 -2.606 1.00 0.00 C ATOM 233 CG ASP 1 17 -1.339 -15.683 -3.610 1.00 0.00 C ATOM 234 OD1 ASP 1 17 -1.292 -16.316 -4.687 1.00 0.00 O ATOM 235 OD2 ASP 1 17 -2.222 -14.863 -3.278 1.00 0.00 O ATOM 0 H ASP 1 17 2.605 -15.710 -1.555 1.00 0.00 H new ATOM 0 HA ASP 1 17 1.291 -15.775 -4.137 1.00 0.00 H new ATOM 0 HB2 ASP 1 17 -0.196 -16.998 -2.360 1.00 0.00 H new ATOM 0 HB3 ASP 1 17 -0.439 -15.399 -1.685 1.00 0.00 H new ATOM 240 N ARG 1 18 2.480 -13.649 -2.302 1.00 0.00 N ATOM 241 CA ARG 1 18 2.761 -12.250 -2.029 1.00 0.00 C ATOM 242 C ARG 1 18 3.449 -11.601 -3.232 1.00 0.00 C ATOM 243 O ARG 1 18 3.771 -12.279 -4.207 1.00 0.00 O ATOM 244 CB ARG 1 18 3.655 -12.098 -0.797 1.00 0.00 C ATOM 245 CG ARG 1 18 3.112 -12.915 0.377 1.00 0.00 C ATOM 246 CD ARG 1 18 4.249 -13.595 1.143 1.00 0.00 C ATOM 247 NE ARG 1 18 3.732 -14.182 2.400 1.00 0.00 N ATOM 248 CZ ARG 1 18 4.501 -14.516 3.445 1.00 0.00 C ATOM 249 NH1 ARG 1 18 5.826 -14.325 3.390 1.00 0.00 N ATOM 250 NH2 ARG 1 18 3.945 -15.043 4.545 1.00 0.00 N ATOM 0 H ARG 1 18 3.224 -14.294 -2.035 1.00 0.00 H new ATOM 0 HA ARG 1 18 1.810 -11.753 -1.838 1.00 0.00 H new ATOM 0 HB2 ARG 1 18 4.667 -12.425 -1.035 1.00 0.00 H new ATOM 0 HB3 ARG 1 18 3.717 -11.047 -0.516 1.00 0.00 H new ATOM 0 HG2 ARG 1 18 2.553 -12.265 1.050 1.00 0.00 H new ATOM 0 HG3 ARG 1 18 2.415 -13.668 0.009 1.00 0.00 H new ATOM 0 HD2 ARG 1 18 4.699 -14.373 0.527 1.00 0.00 H new ATOM 0 HD3 ARG 1 18 5.033 -12.871 1.365 1.00 0.00 H new ATOM 0 HE ARG 1 18 2.727 -14.342 2.475 1.00 0.00 H new ATOM 0 HH11 ARG 1 18 6.249 -13.925 2.552 1.00 0.00 H new ATOM 0 HH12 ARG 1 18 6.411 -14.579 4.186 1.00 0.00 H new ATOM 0 HH21 ARG 1 18 2.936 -15.190 4.586 1.00 0.00 H new ATOM 0 HH22 ARG 1 18 4.530 -15.297 5.341 1.00 0.00 H new ATOM 264 N VAL 1 19 3.655 -10.297 -3.124 1.00 0.00 N ATOM 265 CA VAL 1 19 4.299 -9.550 -4.191 1.00 0.00 C ATOM 266 C VAL 1 19 5.725 -9.193 -3.769 1.00 0.00 C ATOM 267 O VAL 1 19 6.333 -8.283 -4.330 1.00 0.00 O ATOM 268 CB VAL 1 19 3.458 -8.324 -4.554 1.00 0.00 C ATOM 269 CG1 VAL 1 19 3.940 -7.697 -5.864 1.00 0.00 C ATOM 270 CG2 VAL 1 19 1.973 -8.682 -4.632 1.00 0.00 C ATOM 0 H VAL 1 19 3.387 -9.738 -2.314 1.00 0.00 H new ATOM 0 HA VAL 1 19 4.369 -10.157 -5.093 1.00 0.00 H new ATOM 0 HB VAL 1 19 3.584 -7.585 -3.763 1.00 0.00 H new ATOM 0 HG11 VAL 1 19 3.326 -6.828 -6.099 1.00 0.00 H new ATOM 0 HG12 VAL 1 19 4.980 -7.388 -5.759 1.00 0.00 H new ATOM 0 HG13 VAL 1 19 3.858 -8.428 -6.669 1.00 0.00 H new ATOM 0 HG21 VAL 1 19 1.398 -7.793 -4.891 1.00 0.00 H new ATOM 0 HG22 VAL 1 19 1.823 -9.447 -5.394 1.00 0.00 H new ATOM 0 HG23 VAL 1 19 1.639 -9.061 -3.666 1.00 0.00 H new ATOM 280 N ASP 1 20 6.218 -9.928 -2.782 1.00 0.00 N ATOM 281 CA ASP 1 20 7.561 -9.700 -2.278 1.00 0.00 C ATOM 282 C ASP 1 20 7.897 -8.211 -2.388 1.00 0.00 C ATOM 283 O ASP 1 20 8.457 -7.770 -3.390 1.00 0.00 O ATOM 284 CB ASP 1 20 8.595 -10.479 -3.093 1.00 0.00 C ATOM 285 CG ASP 1 20 10.006 -9.887 -3.082 1.00 0.00 C ATOM 286 OD1 ASP 1 20 10.621 -9.904 -1.994 1.00 0.00 O ATOM 287 OD2 ASP 1 20 10.438 -9.432 -4.163 1.00 0.00 O ATOM 0 H ASP 1 20 5.711 -10.682 -2.318 1.00 0.00 H new ATOM 0 HA ASP 1 20 7.593 -10.034 -1.241 1.00 0.00 H new ATOM 0 HB2 ASP 1 20 8.642 -11.499 -2.712 1.00 0.00 H new ATOM 0 HB3 ASP 1 20 8.251 -10.540 -4.125 1.00 0.00 H new ATOM 292 N CYS 1 21 7.541 -7.478 -1.344 1.00 0.00 N ATOM 293 CA CYS 1 21 7.797 -6.048 -1.310 1.00 0.00 C ATOM 294 C CYS 1 21 9.261 -5.813 -1.686 1.00 0.00 C ATOM 295 O CYS 1 21 9.588 -4.822 -2.337 1.00 0.00 O ATOM 296 CB CYS 1 21 7.453 -5.443 0.052 1.00 0.00 C ATOM 297 SG CYS 1 21 6.545 -3.857 -0.020 1.00 0.00 S ATOM 0 H CYS 1 21 7.077 -7.848 -0.514 1.00 0.00 H new ATOM 0 HA CYS 1 21 7.153 -5.544 -2.030 1.00 0.00 H new ATOM 0 HB2 CYS 1 21 6.856 -6.162 0.613 1.00 0.00 H new ATOM 0 HB3 CYS 1 21 8.377 -5.292 0.610 1.00 0.00 H new ATOM 302 N GLY 1 22 10.105 -6.743 -1.260 1.00 0.00 N ATOM 303 CA GLY 1 22 11.527 -6.651 -1.544 1.00 0.00 C ATOM 304 C GLY 1 22 12.052 -5.242 -1.257 1.00 0.00 C ATOM 305 O GLY 1 22 12.547 -4.566 -2.157 1.00 0.00 O ATOM 0 H GLY 1 22 9.830 -7.564 -0.720 1.00 0.00 H new ATOM 0 HA2 GLY 1 22 12.070 -7.376 -0.938 1.00 0.00 H new ATOM 0 HA3 GLY 1 22 11.711 -6.906 -2.588 1.00 0.00 H new ATOM 309 N TYR 1 23 11.925 -4.842 0.000 1.00 0.00 N ATOM 310 CA TYR 1 23 12.381 -3.528 0.416 1.00 0.00 C ATOM 311 C TYR 1 23 13.830 -3.578 0.906 1.00 0.00 C ATOM 312 O TYR 1 23 14.242 -4.549 1.540 1.00 0.00 O ATOM 313 CB TYR 1 23 11.477 -3.116 1.580 1.00 0.00 C ATOM 314 CG TYR 1 23 10.511 -1.977 1.246 1.00 0.00 C ATOM 315 CD1 TYR 1 23 10.929 -0.666 1.349 1.00 0.00 C ATOM 316 CD2 TYR 1 23 9.224 -2.261 0.840 1.00 0.00 C ATOM 317 CE1 TYR 1 23 10.021 0.406 1.035 1.00 0.00 C ATOM 318 CE2 TYR 1 23 8.315 -1.189 0.525 1.00 0.00 C ATOM 319 CZ TYR 1 23 8.758 0.092 0.638 1.00 0.00 C ATOM 320 OH TYR 1 23 7.901 1.105 0.341 1.00 0.00 O ATOM 0 H TYR 1 23 11.513 -5.406 0.743 1.00 0.00 H new ATOM 0 HA TYR 1 23 12.337 -2.827 -0.417 1.00 0.00 H new ATOM 0 HB2 TYR 1 23 10.902 -3.983 1.904 1.00 0.00 H new ATOM 0 HB3 TYR 1 23 12.101 -2.815 2.422 1.00 0.00 H new ATOM 0 HD1 TYR 1 23 11.938 -0.444 1.665 1.00 0.00 H new ATOM 0 HD2 TYR 1 23 8.898 -3.287 0.758 1.00 0.00 H new ATOM 0 HE1 TYR 1 23 10.335 1.436 1.113 1.00 0.00 H new ATOM 0 HE2 TYR 1 23 7.304 -1.398 0.206 1.00 0.00 H new ATOM 0 HH TYR 1 23 8.335 1.730 -0.277 1.00 0.00 H new ATOM 330 N PRO 1 24 14.584 -2.493 0.585 1.00 0.00 N ATOM 331 CA PRO 1 24 15.978 -2.405 0.985 1.00 0.00 C ATOM 332 C PRO 1 24 16.102 -2.093 2.477 1.00 0.00 C ATOM 333 O PRO 1 24 17.205 -2.065 3.020 1.00 0.00 O ATOM 334 CB PRO 1 24 16.574 -1.322 0.100 1.00 0.00 C ATOM 335 CG PRO 1 24 15.395 -0.525 -0.434 1.00 0.00 C ATOM 336 CD PRO 1 24 14.131 -1.325 -0.165 1.00 0.00 C ATOM 0 HA PRO 1 24 16.513 -3.346 0.855 1.00 0.00 H new ATOM 0 HB2 PRO 1 24 17.252 -0.684 0.667 1.00 0.00 H new ATOM 0 HB3 PRO 1 24 17.152 -1.758 -0.715 1.00 0.00 H new ATOM 0 HG2 PRO 1 24 15.341 0.449 0.052 1.00 0.00 H new ATOM 0 HG3 PRO 1 24 15.511 -0.342 -1.502 1.00 0.00 H new ATOM 0 HD2 PRO 1 24 13.408 -0.743 0.407 1.00 0.00 H new ATOM 0 HD3 PRO 1 24 13.642 -1.617 -1.094 1.00 0.00 H new ATOM 344 N HIS 1 25 14.954 -1.866 3.098 1.00 0.00 N ATOM 345 CA HIS 1 25 14.920 -1.557 4.518 1.00 0.00 C ATOM 346 C HIS 1 25 13.968 -2.520 5.231 1.00 0.00 C ATOM 347 O HIS 1 25 13.547 -2.263 6.357 1.00 0.00 O ATOM 348 CB HIS 1 25 14.557 -0.088 4.746 1.00 0.00 C ATOM 349 CG HIS 1 25 15.700 0.870 4.512 1.00 0.00 C ATOM 350 ND1 HIS 1 25 15.910 1.504 3.300 1.00 0.00 N ATOM 351 CD2 HIS 1 25 16.690 1.296 5.347 1.00 0.00 C ATOM 352 CE1 HIS 1 25 16.983 2.274 3.412 1.00 0.00 C ATOM 353 NE2 HIS 1 25 17.465 2.143 4.681 1.00 0.00 N ATOM 0 H HIS 1 25 14.041 -1.890 2.644 1.00 0.00 H new ATOM 0 HA HIS 1 25 15.912 -1.697 4.948 1.00 0.00 H new ATOM 0 HB2 HIS 1 25 13.732 0.179 4.085 1.00 0.00 H new ATOM 0 HB3 HIS 1 25 14.199 0.033 5.768 1.00 0.00 H new ATOM 0 HD2 HIS 1 25 16.821 0.995 6.376 1.00 0.00 H new ATOM 0 HE1 HIS 1 25 17.402 2.896 2.635 1.00 0.00 H new ATOM 0 HE2 HIS 1 25 18.286 2.618 5.056 1.00 0.00 H new ATOM 362 N VAL 1 26 13.657 -3.610 4.544 1.00 0.00 N ATOM 363 CA VAL 1 26 12.763 -4.612 5.096 1.00 0.00 C ATOM 364 C VAL 1 26 13.109 -4.842 6.570 1.00 0.00 C ATOM 365 O VAL 1 26 14.263 -5.096 6.908 1.00 0.00 O ATOM 366 CB VAL 1 26 12.831 -5.893 4.261 1.00 0.00 C ATOM 367 CG1 VAL 1 26 14.278 -6.233 3.898 1.00 0.00 C ATOM 368 CG2 VAL 1 26 12.160 -7.059 4.989 1.00 0.00 C ATOM 0 H VAL 1 26 14.009 -3.820 3.610 1.00 0.00 H new ATOM 0 HA VAL 1 26 11.730 -4.266 5.053 1.00 0.00 H new ATOM 0 HB VAL 1 26 12.284 -5.719 3.334 1.00 0.00 H new ATOM 0 HG11 VAL 1 26 14.299 -7.147 3.305 1.00 0.00 H new ATOM 0 HG12 VAL 1 26 14.710 -5.416 3.320 1.00 0.00 H new ATOM 0 HG13 VAL 1 26 14.857 -6.379 4.810 1.00 0.00 H new ATOM 0 HG21 VAL 1 26 12.223 -7.957 4.374 1.00 0.00 H new ATOM 0 HG22 VAL 1 26 12.665 -7.234 5.939 1.00 0.00 H new ATOM 0 HG23 VAL 1 26 11.113 -6.818 5.174 1.00 0.00 H new ATOM 378 N THR 1 27 12.086 -4.742 7.406 1.00 0.00 N ATOM 379 CA THR 1 27 12.266 -4.935 8.835 1.00 0.00 C ATOM 380 C THR 1 27 10.911 -5.086 9.529 1.00 0.00 C ATOM 381 O THR 1 27 9.892 -4.624 9.016 1.00 0.00 O ATOM 382 CB THR 1 27 13.094 -3.764 9.368 1.00 0.00 C ATOM 383 OG1 THR 1 27 14.257 -4.383 9.914 1.00 0.00 O ATOM 384 CG2 THR 1 27 12.437 -3.081 10.569 1.00 0.00 C ATOM 0 H THR 1 27 11.130 -4.530 7.121 1.00 0.00 H new ATOM 0 HA THR 1 27 12.807 -5.858 9.044 1.00 0.00 H new ATOM 0 HB THR 1 27 13.244 -3.034 8.573 1.00 0.00 H new ATOM 0 HG1 THR 1 27 14.728 -4.874 9.209 1.00 0.00 H new ATOM 0 HG21 THR 1 27 13.065 -2.257 10.908 1.00 0.00 H new ATOM 0 HG22 THR 1 27 11.459 -2.696 10.279 1.00 0.00 H new ATOM 0 HG23 THR 1 27 12.317 -3.802 11.377 1.00 0.00 H new ATOM 392 N PRO 1 28 10.943 -5.750 10.714 1.00 0.00 N ATOM 393 CA PRO 1 28 9.729 -5.968 11.483 1.00 0.00 C ATOM 394 C PRO 1 28 9.282 -4.681 12.179 1.00 0.00 C ATOM 395 O PRO 1 28 9.064 -4.669 13.388 1.00 0.00 O ATOM 396 CB PRO 1 28 10.077 -7.081 12.459 1.00 0.00 C ATOM 397 CG PRO 1 28 11.595 -7.124 12.519 1.00 0.00 C ATOM 398 CD PRO 1 28 12.131 -6.312 11.351 1.00 0.00 C ATOM 0 HA PRO 1 28 8.881 -6.253 10.860 1.00 0.00 H new ATOM 0 HB2 PRO 1 28 9.653 -6.884 13.443 1.00 0.00 H new ATOM 0 HB3 PRO 1 28 9.672 -8.036 12.123 1.00 0.00 H new ATOM 0 HG2 PRO 1 28 11.951 -6.714 13.464 1.00 0.00 H new ATOM 0 HG3 PRO 1 28 11.950 -8.153 12.463 1.00 0.00 H new ATOM 0 HD2 PRO 1 28 12.807 -5.527 11.691 1.00 0.00 H new ATOM 0 HD3 PRO 1 28 12.693 -6.938 10.658 1.00 0.00 H new ATOM 406 N LYS 1 29 9.161 -3.629 11.383 1.00 0.00 N ATOM 407 CA LYS 1 29 8.744 -2.339 11.907 1.00 0.00 C ATOM 408 C LYS 1 29 8.801 -1.297 10.788 1.00 0.00 C ATOM 409 O LYS 1 29 8.155 -0.254 10.873 1.00 0.00 O ATOM 410 CB LYS 1 29 9.573 -1.967 13.137 1.00 0.00 C ATOM 411 CG LYS 1 29 8.698 -1.324 14.215 1.00 0.00 C ATOM 412 CD LYS 1 29 8.778 -2.108 15.526 1.00 0.00 C ATOM 413 CE LYS 1 29 9.035 -1.173 16.710 1.00 0.00 C ATOM 414 NZ LYS 1 29 7.763 -0.831 17.385 1.00 0.00 N ATOM 0 H LYS 1 29 9.344 -3.643 10.380 1.00 0.00 H new ATOM 0 HA LYS 1 29 7.710 -2.383 12.250 1.00 0.00 H new ATOM 0 HB2 LYS 1 29 10.054 -2.859 13.539 1.00 0.00 H new ATOM 0 HB3 LYS 1 29 10.367 -1.278 12.850 1.00 0.00 H new ATOM 0 HG2 LYS 1 29 9.018 -0.295 14.382 1.00 0.00 H new ATOM 0 HG3 LYS 1 29 7.664 -1.285 13.873 1.00 0.00 H new ATOM 0 HD2 LYS 1 29 7.848 -2.654 15.685 1.00 0.00 H new ATOM 0 HD3 LYS 1 29 9.576 -2.848 15.463 1.00 0.00 H new ATOM 0 HE2 LYS 1 29 9.712 -1.651 17.418 1.00 0.00 H new ATOM 0 HE3 LYS 1 29 9.526 -0.264 16.363 1.00 0.00 H new ATOM 0 HZ1 LYS 1 29 7.955 -0.196 18.186 1.00 0.00 H new ATOM 0 HZ2 LYS 1 29 7.129 -0.356 16.711 1.00 0.00 H new ATOM 0 HZ3 LYS 1 29 7.310 -1.700 17.733 1.00 0.00 H new ATOM 428 N GLU 1 30 9.580 -1.615 9.765 1.00 0.00 N ATOM 429 CA GLU 1 30 9.730 -0.719 8.632 1.00 0.00 C ATOM 430 C GLU 1 30 8.778 -1.125 7.504 1.00 0.00 C ATOM 431 O GLU 1 30 8.127 -0.274 6.900 1.00 0.00 O ATOM 432 CB GLU 1 30 11.180 -0.691 8.142 1.00 0.00 C ATOM 433 CG GLU 1 30 11.839 0.652 8.458 1.00 0.00 C ATOM 434 CD GLU 1 30 12.094 0.797 9.960 1.00 0.00 C ATOM 435 OE1 GLU 1 30 11.096 0.981 10.690 1.00 0.00 O ATOM 436 OE2 GLU 1 30 13.281 0.721 10.344 1.00 0.00 O ATOM 0 H GLU 1 30 10.114 -2.481 9.697 1.00 0.00 H new ATOM 0 HA GLU 1 30 9.471 0.289 8.955 1.00 0.00 H new ATOM 0 HB2 GLU 1 30 11.743 -1.496 8.614 1.00 0.00 H new ATOM 0 HB3 GLU 1 30 11.208 -0.870 7.067 1.00 0.00 H new ATOM 0 HG2 GLU 1 30 12.781 0.736 7.916 1.00 0.00 H new ATOM 0 HG3 GLU 1 30 11.200 1.465 8.114 1.00 0.00 H new ATOM 443 N CYS 1 31 8.728 -2.425 7.256 1.00 0.00 N ATOM 444 CA CYS 1 31 7.866 -2.955 6.212 1.00 0.00 C ATOM 445 C CYS 1 31 6.436 -2.485 6.485 1.00 0.00 C ATOM 446 O CYS 1 31 5.790 -1.909 5.610 1.00 0.00 O ATOM 447 CB CYS 1 31 7.958 -4.480 6.123 1.00 0.00 C ATOM 448 SG CYS 1 31 9.484 -5.112 5.336 1.00 0.00 S ATOM 0 H CYS 1 31 9.270 -3.127 7.759 1.00 0.00 H new ATOM 0 HA CYS 1 31 8.192 -2.579 5.242 1.00 0.00 H new ATOM 0 HB2 CYS 1 31 7.887 -4.894 7.129 1.00 0.00 H new ATOM 0 HB3 CYS 1 31 7.098 -4.850 5.565 1.00 0.00 H new ATOM 453 N ASN 1 32 5.983 -2.746 7.702 1.00 0.00 N ATOM 454 CA ASN 1 32 4.640 -2.356 8.101 1.00 0.00 C ATOM 455 C ASN 1 32 4.559 -0.830 8.176 1.00 0.00 C ATOM 456 O ASN 1 32 3.497 -0.276 8.454 1.00 0.00 O ATOM 457 CB ASN 1 32 4.291 -2.917 9.480 1.00 0.00 C ATOM 458 CG ASN 1 32 3.516 -4.230 9.359 1.00 0.00 C ATOM 459 OD1 ASN 1 32 4.179 -5.195 8.728 1.00 0.00 O flip ATOM 460 ND2 ASN 1 32 2.388 -4.359 9.808 1.00 0.00 N flip ATOM 0 H ASN 1 32 6.521 -3.223 8.425 1.00 0.00 H new ATOM 0 HA ASN 1 32 3.940 -2.751 7.364 1.00 0.00 H new ATOM 0 HB2 ASN 1 32 5.205 -3.081 10.051 1.00 0.00 H new ATOM 0 HB3 ASN 1 32 3.696 -2.189 10.032 1.00 0.00 H new ATOM 0 HD21 ASN 1 32 1.935 -3.578 10.282 1.00 0.00 H new ATOM 0 HD22 ASN 1 32 1.898 -5.248 9.709 1.00 0.00 H new ATOM 467 N ASN 1 33 5.694 -0.196 7.922 1.00 0.00 N ATOM 468 CA ASN 1 33 5.764 1.255 7.958 1.00 0.00 C ATOM 469 C ASN 1 33 5.702 1.799 6.529 1.00 0.00 C ATOM 470 O ASN 1 33 5.132 2.863 6.290 1.00 0.00 O ATOM 471 CB ASN 1 33 7.075 1.729 8.587 1.00 0.00 C ATOM 472 CG ASN 1 33 6.893 3.080 9.281 1.00 0.00 C ATOM 473 OD1 ASN 1 33 5.794 3.584 9.437 1.00 0.00 O ATOM 474 ND2 ASN 1 33 8.031 3.636 9.689 1.00 0.00 N ATOM 0 H ASN 1 33 6.572 -0.660 7.691 1.00 0.00 H new ATOM 0 HA ASN 1 33 4.927 1.618 8.554 1.00 0.00 H new ATOM 0 HB2 ASN 1 33 7.425 0.990 9.308 1.00 0.00 H new ATOM 0 HB3 ASN 1 33 7.843 1.812 7.818 1.00 0.00 H new ATOM 0 HD21 ASN 1 33 8.016 4.538 10.164 1.00 0.00 H new ATOM 0 HD22 ASN 1 33 8.918 3.160 9.526 1.00 0.00 H new ATOM 481 N ARG 1 34 6.297 1.046 5.617 1.00 0.00 N ATOM 482 CA ARG 1 34 6.317 1.439 4.218 1.00 0.00 C ATOM 483 C ARG 1 34 4.984 1.093 3.550 1.00 0.00 C ATOM 484 O ARG 1 34 4.605 1.712 2.557 1.00 0.00 O ATOM 485 CB ARG 1 34 7.452 0.741 3.466 1.00 0.00 C ATOM 486 CG ARG 1 34 8.703 0.631 4.341 1.00 0.00 C ATOM 487 CD ARG 1 34 9.894 1.334 3.686 1.00 0.00 C ATOM 488 NE ARG 1 34 10.573 2.203 4.673 1.00 0.00 N ATOM 489 CZ ARG 1 34 11.800 2.715 4.503 1.00 0.00 C ATOM 490 NH1 ARG 1 34 12.490 2.448 3.386 1.00 0.00 N ATOM 491 NH2 ARG 1 34 12.337 3.494 5.452 1.00 0.00 N ATOM 0 H ARG 1 34 6.769 0.165 5.819 1.00 0.00 H new ATOM 0 HA ARG 1 34 6.478 2.516 4.179 1.00 0.00 H new ATOM 0 HB2 ARG 1 34 7.131 -0.254 3.158 1.00 0.00 H new ATOM 0 HB3 ARG 1 34 7.687 1.296 2.558 1.00 0.00 H new ATOM 0 HG2 ARG 1 34 8.508 1.073 5.318 1.00 0.00 H new ATOM 0 HG3 ARG 1 34 8.943 -0.419 4.508 1.00 0.00 H new ATOM 0 HD2 ARG 1 34 10.594 0.595 3.297 1.00 0.00 H new ATOM 0 HD3 ARG 1 34 9.555 1.929 2.838 1.00 0.00 H new ATOM 0 HE ARG 1 34 10.077 2.426 5.536 1.00 0.00 H new ATOM 0 HH11 ARG 1 34 12.082 1.855 2.664 1.00 0.00 H new ATOM 0 HH12 ARG 1 34 13.424 2.838 3.258 1.00 0.00 H new ATOM 0 HH21 ARG 1 34 11.812 3.697 6.303 1.00 0.00 H new ATOM 0 HH22 ARG 1 34 13.271 3.884 5.324 1.00 0.00 H new ATOM 505 N GLY 1 35 4.311 0.106 4.122 1.00 0.00 N ATOM 506 CA GLY 1 35 3.029 -0.329 3.595 1.00 0.00 C ATOM 507 C GLY 1 35 3.075 -1.803 3.188 1.00 0.00 C ATOM 508 O GLY 1 35 2.310 -2.239 2.328 1.00 0.00 O ATOM 0 H GLY 1 35 4.629 -0.405 4.945 1.00 0.00 H new ATOM 0 HA2 GLY 1 35 2.253 -0.180 4.346 1.00 0.00 H new ATOM 0 HA3 GLY 1 35 2.760 0.282 2.733 1.00 0.00 H new ATOM 512 N CYS 1 36 3.981 -2.532 3.825 1.00 0.00 N ATOM 513 CA CYS 1 36 4.138 -3.948 3.539 1.00 0.00 C ATOM 514 C CYS 1 36 3.788 -4.734 4.805 1.00 0.00 C ATOM 515 O CYS 1 36 3.399 -4.150 5.815 1.00 0.00 O ATOM 516 CB CYS 1 36 5.545 -4.272 3.036 1.00 0.00 C ATOM 517 SG CYS 1 36 6.176 -3.144 1.741 1.00 0.00 S ATOM 0 H CYS 1 36 4.613 -2.168 4.538 1.00 0.00 H new ATOM 0 HA CYS 1 36 3.462 -4.237 2.734 1.00 0.00 H new ATOM 0 HB2 CYS 1 36 6.232 -4.251 3.882 1.00 0.00 H new ATOM 0 HB3 CYS 1 36 5.551 -5.290 2.646 1.00 0.00 H new ATOM 522 N CYS 1 37 3.941 -6.047 4.708 1.00 0.00 N ATOM 523 CA CYS 1 37 3.646 -6.919 5.833 1.00 0.00 C ATOM 524 C CYS 1 37 4.856 -7.827 6.065 1.00 0.00 C ATOM 525 O CYS 1 37 5.273 -8.555 5.166 1.00 0.00 O ATOM 526 CB CYS 1 37 2.365 -7.723 5.605 1.00 0.00 C ATOM 527 SG CYS 1 37 1.571 -8.349 7.129 1.00 0.00 S ATOM 0 H CYS 1 37 4.265 -6.528 3.869 1.00 0.00 H new ATOM 0 HA CYS 1 37 3.466 -6.319 6.725 1.00 0.00 H new ATOM 0 HB2 CYS 1 37 1.650 -7.097 5.070 1.00 0.00 H new ATOM 0 HB3 CYS 1 37 2.594 -8.569 4.958 1.00 0.00 H new ATOM 532 N PHE 1 38 5.386 -7.753 7.278 1.00 0.00 N ATOM 533 CA PHE 1 38 6.540 -8.558 7.640 1.00 0.00 C ATOM 534 C PHE 1 38 6.106 -9.920 8.187 1.00 0.00 C ATOM 535 O PHE 1 38 5.402 -9.993 9.193 1.00 0.00 O ATOM 536 CB PHE 1 38 7.291 -7.797 8.734 1.00 0.00 C ATOM 537 CG PHE 1 38 8.605 -8.456 9.161 1.00 0.00 C ATOM 538 CD1 PHE 1 38 9.733 -8.261 8.426 1.00 0.00 C ATOM 539 CD2 PHE 1 38 8.644 -9.237 10.273 1.00 0.00 C ATOM 540 CE1 PHE 1 38 10.952 -8.871 8.821 1.00 0.00 C ATOM 541 CE2 PHE 1 38 9.864 -9.848 10.668 1.00 0.00 C ATOM 542 CZ PHE 1 38 10.992 -9.652 9.935 1.00 0.00 C ATOM 0 H PHE 1 38 5.037 -7.148 8.022 1.00 0.00 H new ATOM 0 HA PHE 1 38 7.165 -8.730 6.764 1.00 0.00 H new ATOM 0 HB2 PHE 1 38 7.501 -6.787 8.381 1.00 0.00 H new ATOM 0 HB3 PHE 1 38 6.644 -7.702 9.606 1.00 0.00 H new ATOM 0 HD1 PHE 1 38 9.701 -7.642 7.542 1.00 0.00 H new ATOM 0 HD2 PHE 1 38 7.748 -9.393 10.856 1.00 0.00 H new ATOM 0 HE1 PHE 1 38 11.848 -8.716 8.238 1.00 0.00 H new ATOM 0 HE2 PHE 1 38 9.895 -10.469 11.551 1.00 0.00 H new ATOM 0 HZ PHE 1 38 11.920 -10.116 10.237 1.00 0.00 H new ATOM 552 N ASP 1 39 6.546 -10.965 7.502 1.00 0.00 N ATOM 553 CA ASP 1 39 6.213 -12.320 7.906 1.00 0.00 C ATOM 554 C ASP 1 39 7.278 -12.834 8.878 1.00 0.00 C ATOM 555 O ASP 1 39 7.089 -12.788 10.093 1.00 0.00 O ATOM 556 CB ASP 1 39 6.178 -13.262 6.702 1.00 0.00 C ATOM 557 CG ASP 1 39 5.972 -14.740 7.042 1.00 0.00 C ATOM 558 OD1 ASP 1 39 4.840 -15.075 7.452 1.00 0.00 O ATOM 559 OD2 ASP 1 39 6.951 -15.501 6.883 1.00 0.00 O ATOM 0 H ASP 1 39 7.131 -10.900 6.669 1.00 0.00 H new ATOM 0 HA ASP 1 39 5.229 -12.299 8.375 1.00 0.00 H new ATOM 0 HB2 ASP 1 39 5.378 -12.944 6.034 1.00 0.00 H new ATOM 0 HB3 ASP 1 39 7.113 -13.158 6.151 1.00 0.00 H new ATOM 564 N SER 1 40 8.374 -13.311 8.306 1.00 0.00 N ATOM 565 CA SER 1 40 9.468 -13.834 9.106 1.00 0.00 C ATOM 566 C SER 1 40 9.234 -15.314 9.411 1.00 0.00 C ATOM 567 O SER 1 40 10.162 -16.027 9.792 1.00 0.00 O ATOM 568 CB SER 1 40 9.626 -13.042 10.406 1.00 0.00 C ATOM 569 OG SER 1 40 10.995 -12.890 10.775 1.00 0.00 O ATOM 0 H SER 1 40 8.528 -13.346 7.298 1.00 0.00 H new ATOM 0 HA SER 1 40 10.390 -13.730 8.534 1.00 0.00 H new ATOM 0 HB2 SER 1 40 9.171 -12.059 10.289 1.00 0.00 H new ATOM 0 HB3 SER 1 40 9.089 -13.549 11.207 1.00 0.00 H new ATOM 0 HG SER 1 40 11.245 -11.944 10.724 1.00 0.00 H new ATOM 575 N ARG 1 41 7.990 -15.733 9.234 1.00 0.00 N ATOM 576 CA ARG 1 41 7.622 -17.115 9.485 1.00 0.00 C ATOM 577 C ARG 1 41 8.394 -18.049 8.550 1.00 0.00 C ATOM 578 O ARG 1 41 8.870 -19.102 8.973 1.00 0.00 O ATOM 579 CB ARG 1 41 6.121 -17.331 9.283 1.00 0.00 C ATOM 580 CG ARG 1 41 5.307 -16.324 10.099 1.00 0.00 C ATOM 581 CD ARG 1 41 3.878 -16.823 10.320 1.00 0.00 C ATOM 582 NE ARG 1 41 3.217 -17.056 9.017 1.00 0.00 N ATOM 583 CZ ARG 1 41 2.142 -17.838 8.848 1.00 0.00 C ATOM 584 NH1 ARG 1 41 1.600 -18.468 9.900 1.00 0.00 N ATOM 585 NH2 ARG 1 41 1.608 -17.992 7.629 1.00 0.00 N ATOM 0 H ARG 1 41 7.223 -15.138 8.919 1.00 0.00 H new ATOM 0 HA ARG 1 41 7.875 -17.342 10.521 1.00 0.00 H new ATOM 0 HB2 ARG 1 41 5.875 -17.231 8.226 1.00 0.00 H new ATOM 0 HB3 ARG 1 41 5.853 -18.345 9.579 1.00 0.00 H new ATOM 0 HG2 ARG 1 41 5.790 -16.156 11.062 1.00 0.00 H new ATOM 0 HG3 ARG 1 41 5.285 -15.365 9.582 1.00 0.00 H new ATOM 0 HD2 ARG 1 41 3.892 -17.746 10.900 1.00 0.00 H new ATOM 0 HD3 ARG 1 41 3.314 -16.091 10.898 1.00 0.00 H new ATOM 0 HE ARG 1 41 3.604 -16.592 8.195 1.00 0.00 H new ATOM 0 HH11 ARG 1 41 2.006 -18.352 10.829 1.00 0.00 H new ATOM 0 HH12 ARG 1 41 0.782 -19.063 9.772 1.00 0.00 H new ATOM 0 HH21 ARG 1 41 2.020 -17.514 6.828 1.00 0.00 H new ATOM 0 HH22 ARG 1 41 0.790 -18.588 7.502 1.00 0.00 H new ATOM 599 N ILE 1 42 8.494 -17.629 7.297 1.00 0.00 N ATOM 600 CA ILE 1 42 9.201 -18.414 6.299 1.00 0.00 C ATOM 601 C ILE 1 42 10.322 -17.569 5.692 1.00 0.00 C ATOM 602 O ILE 1 42 10.059 -16.627 4.945 1.00 0.00 O ATOM 603 CB ILE 1 42 8.222 -18.971 5.265 1.00 0.00 C ATOM 604 CG1 ILE 1 42 6.859 -19.258 5.899 1.00 0.00 C ATOM 605 CG2 ILE 1 42 8.801 -20.206 4.570 1.00 0.00 C ATOM 606 CD1 ILE 1 42 5.997 -20.124 4.978 1.00 0.00 C ATOM 0 H ILE 1 42 8.097 -16.756 6.950 1.00 0.00 H new ATOM 0 HA ILE 1 42 9.671 -19.283 6.760 1.00 0.00 H new ATOM 0 HB ILE 1 42 8.068 -18.212 4.498 1.00 0.00 H new ATOM 0 HG12 ILE 1 42 6.998 -19.764 6.855 1.00 0.00 H new ATOM 0 HG13 ILE 1 42 6.346 -18.319 6.107 1.00 0.00 H new ATOM 0 HG21 ILE 1 42 8.084 -20.582 3.840 1.00 0.00 H new ATOM 0 HG22 ILE 1 42 9.728 -19.937 4.064 1.00 0.00 H new ATOM 0 HG23 ILE 1 42 9.003 -20.979 5.311 1.00 0.00 H new ATOM 0 HD11 ILE 1 42 5.034 -20.313 5.452 1.00 0.00 H new ATOM 0 HD12 ILE 1 42 5.840 -19.605 4.032 1.00 0.00 H new ATOM 0 HD13 ILE 1 42 6.502 -21.072 4.792 1.00 0.00 H new ATOM 618 N PRO 1 43 11.580 -17.945 6.044 1.00 0.00 N ATOM 619 CA PRO 1 43 12.742 -17.232 5.541 1.00 0.00 C ATOM 620 C PRO 1 43 13.010 -17.583 4.076 1.00 0.00 C ATOM 621 O PRO 1 43 13.916 -17.028 3.457 1.00 0.00 O ATOM 622 CB PRO 1 43 13.880 -17.633 6.465 1.00 0.00 C ATOM 623 CG PRO 1 43 13.425 -18.905 7.161 1.00 0.00 C ATOM 624 CD PRO 1 43 11.930 -19.054 6.926 1.00 0.00 C ATOM 0 HA PRO 1 43 12.605 -16.151 5.545 1.00 0.00 H new ATOM 0 HB2 PRO 1 43 14.798 -17.803 5.903 1.00 0.00 H new ATOM 0 HB3 PRO 1 43 14.091 -16.846 7.189 1.00 0.00 H new ATOM 0 HG2 PRO 1 43 13.961 -19.768 6.768 1.00 0.00 H new ATOM 0 HG3 PRO 1 43 13.641 -18.855 8.228 1.00 0.00 H new ATOM 0 HD2 PRO 1 43 11.695 -20.014 6.467 1.00 0.00 H new ATOM 0 HD3 PRO 1 43 11.375 -19.005 7.863 1.00 0.00 H new ATOM 632 N GLY 1 44 12.204 -18.502 3.565 1.00 0.00 N ATOM 633 CA GLY 1 44 12.343 -18.934 2.185 1.00 0.00 C ATOM 634 C GLY 1 44 11.426 -18.127 1.263 1.00 0.00 C ATOM 635 O GLY 1 44 11.503 -18.251 0.041 1.00 0.00 O ATOM 0 H GLY 1 44 11.453 -18.959 4.082 1.00 0.00 H new ATOM 0 HA2 GLY 1 44 13.379 -18.818 1.866 1.00 0.00 H new ATOM 0 HA3 GLY 1 44 12.102 -19.994 2.106 1.00 0.00 H new ATOM 639 N VAL 1 45 10.581 -17.318 1.883 1.00 0.00 N ATOM 640 CA VAL 1 45 9.651 -16.490 1.135 1.00 0.00 C ATOM 641 C VAL 1 45 9.890 -15.019 1.481 1.00 0.00 C ATOM 642 O VAL 1 45 10.808 -14.696 2.233 1.00 0.00 O ATOM 643 CB VAL 1 45 8.214 -16.942 1.404 1.00 0.00 C ATOM 644 CG1 VAL 1 45 8.144 -18.457 1.607 1.00 0.00 C ATOM 645 CG2 VAL 1 45 7.621 -16.199 2.603 1.00 0.00 C ATOM 0 H VAL 1 45 10.521 -17.218 2.896 1.00 0.00 H new ATOM 0 HA VAL 1 45 9.818 -16.602 0.064 1.00 0.00 H new ATOM 0 HB VAL 1 45 7.615 -16.694 0.527 1.00 0.00 H new ATOM 0 HG11 VAL 1 45 7.112 -18.751 1.796 1.00 0.00 H new ATOM 0 HG12 VAL 1 45 8.507 -18.961 0.711 1.00 0.00 H new ATOM 0 HG13 VAL 1 45 8.764 -18.739 2.458 1.00 0.00 H new ATOM 0 HG21 VAL 1 45 6.599 -16.539 2.773 1.00 0.00 H new ATOM 0 HG22 VAL 1 45 8.222 -16.400 3.490 1.00 0.00 H new ATOM 0 HG23 VAL 1 45 7.618 -15.128 2.402 1.00 0.00 H new ATOM 655 N PRO 1 46 9.026 -14.144 0.900 1.00 0.00 N ATOM 656 CA PRO 1 46 9.133 -12.715 1.140 1.00 0.00 C ATOM 657 C PRO 1 46 8.620 -12.353 2.535 1.00 0.00 C ATOM 658 O PRO 1 46 7.439 -12.533 2.831 1.00 0.00 O ATOM 659 CB PRO 1 46 8.332 -12.066 0.024 1.00 0.00 C ATOM 660 CG PRO 1 46 7.425 -13.156 -0.524 1.00 0.00 C ATOM 661 CD PRO 1 46 7.926 -14.490 0.005 1.00 0.00 C ATOM 0 HA PRO 1 46 10.164 -12.363 1.127 1.00 0.00 H new ATOM 0 HB2 PRO 1 46 7.749 -11.225 0.399 1.00 0.00 H new ATOM 0 HB3 PRO 1 46 8.989 -11.677 -0.754 1.00 0.00 H new ATOM 0 HG2 PRO 1 46 6.394 -12.986 -0.214 1.00 0.00 H new ATOM 0 HG3 PRO 1 46 7.436 -13.149 -1.614 1.00 0.00 H new ATOM 0 HD2 PRO 1 46 7.139 -15.027 0.534 1.00 0.00 H new ATOM 0 HD3 PRO 1 46 8.263 -15.136 -0.806 1.00 0.00 H new ATOM 669 N TRP 1 47 9.530 -11.848 3.354 1.00 0.00 N ATOM 670 CA TRP 1 47 9.183 -11.459 4.710 1.00 0.00 C ATOM 671 C TRP 1 47 8.773 -9.985 4.690 1.00 0.00 C ATOM 672 O TRP 1 47 8.931 -9.279 5.684 1.00 0.00 O ATOM 673 CB TRP 1 47 10.336 -11.745 5.676 1.00 0.00 C ATOM 674 CG TRP 1 47 11.477 -12.556 5.058 1.00 0.00 C ATOM 675 CD1 TRP 1 47 11.564 -13.886 4.921 1.00 0.00 C ATOM 676 CD2 TRP 1 47 12.698 -12.032 4.495 1.00 0.00 C ATOM 677 NE1 TRP 1 47 12.748 -14.257 4.315 1.00 0.00 N ATOM 678 CE2 TRP 1 47 13.459 -13.092 4.048 1.00 0.00 C ATOM 679 CE3 TRP 1 47 13.146 -10.705 4.369 1.00 0.00 C ATOM 680 CZ2 TRP 1 47 14.712 -12.936 3.443 1.00 0.00 C ATOM 681 CZ3 TRP 1 47 14.400 -10.566 3.764 1.00 0.00 C ATOM 682 CH2 TRP 1 47 15.179 -11.624 3.307 1.00 0.00 C ATOM 0 H TRP 1 47 10.508 -11.699 3.105 1.00 0.00 H new ATOM 0 HA TRP 1 47 8.343 -12.049 5.076 1.00 0.00 H new ATOM 0 HB2 TRP 1 47 10.733 -10.798 6.042 1.00 0.00 H new ATOM 0 HB3 TRP 1 47 9.948 -12.283 6.540 1.00 0.00 H new ATOM 0 HD1 TRP 1 47 10.803 -14.581 5.244 1.00 0.00 H new ATOM 0 HE1 TRP 1 47 13.046 -15.209 4.103 1.00 0.00 H new ATOM 0 HE3 TRP 1 47 12.568 -9.860 4.712 1.00 0.00 H new ATOM 0 HZ2 TRP 1 47 15.287 -13.783 3.100 1.00 0.00 H new ATOM 0 HZ3 TRP 1 47 14.791 -9.566 3.643 1.00 0.00 H new ATOM 0 HH2 TRP 1 47 16.139 -11.434 2.850 1.00 0.00 H new ATOM 693 N CYS 1 48 8.255 -9.565 3.545 1.00 0.00 N ATOM 694 CA CYS 1 48 7.821 -8.188 3.381 1.00 0.00 C ATOM 695 C CYS 1 48 7.044 -8.083 2.066 1.00 0.00 C ATOM 696 O CYS 1 48 7.630 -8.152 0.988 1.00 0.00 O ATOM 697 CB CYS 1 48 8.999 -7.214 3.426 1.00 0.00 C ATOM 698 SG CYS 1 48 8.533 -5.446 3.490 1.00 0.00 S ATOM 0 H CYS 1 48 8.126 -10.154 2.722 1.00 0.00 H new ATOM 0 HA CYS 1 48 7.171 -7.908 4.210 1.00 0.00 H new ATOM 0 HB2 CYS 1 48 9.610 -7.446 4.298 1.00 0.00 H new ATOM 0 HB3 CYS 1 48 9.622 -7.379 2.547 1.00 0.00 H new ATOM 703 N PHE 1 49 5.737 -7.916 2.201 1.00 0.00 N ATOM 704 CA PHE 1 49 4.873 -7.800 1.038 1.00 0.00 C ATOM 705 C PHE 1 49 3.685 -6.881 1.326 1.00 0.00 C ATOM 706 O PHE 1 49 3.643 -6.221 2.364 1.00 0.00 O ATOM 707 CB PHE 1 49 4.354 -9.204 0.725 1.00 0.00 C ATOM 708 CG PHE 1 49 4.187 -10.095 1.958 1.00 0.00 C ATOM 709 CD1 PHE 1 49 5.284 -10.560 2.613 1.00 0.00 C ATOM 710 CD2 PHE 1 49 2.944 -10.422 2.398 1.00 0.00 C ATOM 711 CE1 PHE 1 49 5.131 -11.388 3.757 1.00 0.00 C ATOM 712 CE2 PHE 1 49 2.790 -11.249 3.542 1.00 0.00 C ATOM 713 CZ PHE 1 49 3.887 -11.715 4.197 1.00 0.00 C ATOM 0 H PHE 1 49 5.255 -7.858 3.098 1.00 0.00 H new ATOM 0 HA PHE 1 49 5.430 -7.377 0.202 1.00 0.00 H new ATOM 0 HB2 PHE 1 49 3.393 -9.120 0.217 1.00 0.00 H new ATOM 0 HB3 PHE 1 49 5.041 -9.688 0.030 1.00 0.00 H new ATOM 0 HD1 PHE 1 49 6.272 -10.300 2.263 1.00 0.00 H new ATOM 0 HD2 PHE 1 49 2.073 -10.053 1.878 1.00 0.00 H new ATOM 0 HE1 PHE 1 49 6.002 -11.758 4.277 1.00 0.00 H new ATOM 0 HE2 PHE 1 49 1.802 -11.508 3.892 1.00 0.00 H new ATOM 0 HZ PHE 1 49 3.770 -12.345 5.067 1.00 0.00 H new ATOM 723 N LYS 1 50 2.746 -6.868 0.391 1.00 0.00 N ATOM 724 CA LYS 1 50 1.560 -6.043 0.533 1.00 0.00 C ATOM 725 C LYS 1 50 0.318 -6.937 0.539 1.00 0.00 C ATOM 726 O LYS 1 50 -0.448 -6.949 -0.423 1.00 0.00 O ATOM 727 CB LYS 1 50 1.531 -4.958 -0.547 1.00 0.00 C ATOM 728 CG LYS 1 50 2.314 -5.396 -1.786 1.00 0.00 C ATOM 729 CD LYS 1 50 3.772 -4.943 -1.701 1.00 0.00 C ATOM 730 CE LYS 1 50 3.865 -3.452 -1.371 1.00 0.00 C ATOM 731 NZ LYS 1 50 2.789 -2.702 -2.054 1.00 0.00 N ATOM 0 H LYS 1 50 2.783 -7.416 -0.468 1.00 0.00 H new ATOM 0 HA LYS 1 50 1.576 -5.514 1.486 1.00 0.00 H new ATOM 0 HB2 LYS 1 50 0.499 -4.742 -0.823 1.00 0.00 H new ATOM 0 HB3 LYS 1 50 1.955 -4.035 -0.152 1.00 0.00 H new ATOM 0 HG2 LYS 1 50 2.272 -6.481 -1.883 1.00 0.00 H new ATOM 0 HG3 LYS 1 50 1.851 -4.978 -2.680 1.00 0.00 H new ATOM 0 HD2 LYS 1 50 4.292 -5.521 -0.937 1.00 0.00 H new ATOM 0 HD3 LYS 1 50 4.274 -5.141 -2.648 1.00 0.00 H new ATOM 0 HE2 LYS 1 50 3.790 -3.307 -0.293 1.00 0.00 H new ATOM 0 HE3 LYS 1 50 4.837 -3.066 -1.678 1.00 0.00 H new ATOM 0 HZ1 LYS 1 50 3.097 -1.722 -2.214 1.00 0.00 H new ATOM 0 HZ2 LYS 1 50 2.578 -3.152 -2.968 1.00 0.00 H new ATOM 0 HZ3 LYS 1 50 1.934 -2.704 -1.462 1.00 0.00 H new ATOM 745 N PRO 1 51 0.153 -7.682 1.664 1.00 0.00 N ATOM 746 CA PRO 1 51 -0.983 -8.577 1.809 1.00 0.00 C ATOM 747 C PRO 1 51 -2.265 -7.794 2.097 1.00 0.00 C ATOM 748 O PRO 1 51 -2.899 -7.274 1.181 1.00 0.00 O ATOM 749 CB PRO 1 51 -0.598 -9.522 2.935 1.00 0.00 C ATOM 750 CG PRO 1 51 0.531 -8.836 3.687 1.00 0.00 C ATOM 751 CD PRO 1 51 1.038 -7.692 2.825 1.00 0.00 C ATOM 0 HA PRO 1 51 -1.199 -9.133 0.897 1.00 0.00 H new ATOM 0 HB2 PRO 1 51 -1.446 -9.712 3.593 1.00 0.00 H new ATOM 0 HB3 PRO 1 51 -0.276 -10.487 2.543 1.00 0.00 H new ATOM 0 HG2 PRO 1 51 0.178 -8.462 4.648 1.00 0.00 H new ATOM 0 HG3 PRO 1 51 1.335 -9.542 3.896 1.00 0.00 H new ATOM 0 HD2 PRO 1 51 0.998 -6.744 3.362 1.00 0.00 H new ATOM 0 HD3 PRO 1 51 2.076 -7.848 2.530 1.00 0.00 H new ATOM 759 N LEU 1 52 -2.610 -7.735 3.376 1.00 0.00 N ATOM 760 CA LEU 1 52 -3.805 -7.024 3.797 1.00 0.00 C ATOM 761 C LEU 1 52 -3.435 -5.586 4.167 1.00 0.00 C ATOM 762 O LEU 1 52 -4.001 -5.015 5.098 1.00 0.00 O ATOM 763 CB LEU 1 52 -4.514 -7.785 4.919 1.00 0.00 C ATOM 764 CG LEU 1 52 -4.060 -7.455 6.342 1.00 0.00 C ATOM 765 CD1 LEU 1 52 -5.209 -6.860 7.160 1.00 0.00 C ATOM 766 CD2 LEU 1 52 -3.449 -8.682 7.022 1.00 0.00 C ATOM 0 H LEU 1 52 -2.082 -8.168 4.134 1.00 0.00 H new ATOM 0 HA LEU 1 52 -4.523 -6.968 2.978 1.00 0.00 H new ATOM 0 HB2 LEU 1 52 -5.584 -7.589 4.845 1.00 0.00 H new ATOM 0 HB3 LEU 1 52 -4.374 -8.853 4.752 1.00 0.00 H new ATOM 0 HG LEU 1 52 -3.279 -6.697 6.284 1.00 0.00 H new ATOM 0 HD11 LEU 1 52 -4.860 -6.634 8.168 1.00 0.00 H new ATOM 0 HD12 LEU 1 52 -5.559 -5.944 6.684 1.00 0.00 H new ATOM 0 HD13 LEU 1 52 -6.028 -7.577 7.212 1.00 0.00 H new ATOM 0 HD21 LEU 1 52 -3.135 -8.419 8.032 1.00 0.00 H new ATOM 0 HD22 LEU 1 52 -4.191 -9.479 7.068 1.00 0.00 H new ATOM 0 HD23 LEU 1 52 -2.586 -9.023 6.450 1.00 0.00 H new ATOM 778 N GLN 1 53 -2.486 -5.042 3.418 1.00 0.00 N ATOM 779 CA GLN 1 53 -2.034 -3.682 3.656 1.00 0.00 C ATOM 780 C GLN 1 53 -3.208 -2.707 3.554 1.00 0.00 C ATOM 781 O GLN 1 53 -3.122 -1.574 4.029 1.00 0.00 O ATOM 782 CB GLN 1 53 -0.916 -3.299 2.684 1.00 0.00 C ATOM 783 CG GLN 1 53 0.299 -4.213 2.856 1.00 0.00 C ATOM 784 CD GLN 1 53 0.835 -4.149 4.287 1.00 0.00 C ATOM 785 OE1 GLN 1 53 1.545 -3.234 4.671 1.00 0.00 O ATOM 786 NE2 GLN 1 53 0.457 -5.169 5.053 1.00 0.00 N ATOM 0 H GLN 1 53 -2.018 -5.518 2.647 1.00 0.00 H new ATOM 0 HA GLN 1 53 -1.628 -3.626 4.666 1.00 0.00 H new ATOM 0 HB2 GLN 1 53 -1.282 -3.364 1.659 1.00 0.00 H new ATOM 0 HB3 GLN 1 53 -0.622 -2.263 2.852 1.00 0.00 H new ATOM 0 HG2 GLN 1 53 0.024 -5.239 2.613 1.00 0.00 H new ATOM 0 HG3 GLN 1 53 1.082 -3.919 2.157 1.00 0.00 H new ATOM 0 HE21 GLN 1 53 -0.139 -5.902 4.668 1.00 0.00 H new ATOM 0 HE22 GLN 1 53 0.763 -5.218 6.025 1.00 0.00 H new ATOM 795 N GLU 1 54 -4.278 -3.181 2.934 1.00 0.00 N ATOM 796 CA GLU 1 54 -5.468 -2.365 2.765 1.00 0.00 C ATOM 797 C GLU 1 54 -5.882 -1.747 4.101 1.00 0.00 C ATOM 798 O GLU 1 54 -6.622 -0.764 4.132 1.00 0.00 O ATOM 799 CB GLU 1 54 -6.611 -3.181 2.159 1.00 0.00 C ATOM 800 CG GLU 1 54 -7.583 -3.650 3.244 1.00 0.00 C ATOM 801 CD GLU 1 54 -8.620 -4.618 2.669 1.00 0.00 C ATOM 802 OE1 GLU 1 54 -8.204 -5.494 1.881 1.00 0.00 O ATOM 803 OE2 GLU 1 54 -9.806 -4.458 3.031 1.00 0.00 O ATOM 0 H GLU 1 54 -4.346 -4.120 2.542 1.00 0.00 H new ATOM 0 HA GLU 1 54 -5.236 -1.557 2.071 1.00 0.00 H new ATOM 0 HB2 GLU 1 54 -7.144 -2.578 1.424 1.00 0.00 H new ATOM 0 HB3 GLU 1 54 -6.206 -4.044 1.630 1.00 0.00 H new ATOM 0 HG2 GLU 1 54 -7.030 -4.138 4.047 1.00 0.00 H new ATOM 0 HG3 GLU 1 54 -8.088 -2.789 3.682 1.00 0.00 H new ATOM 810 N ALA 1 55 -5.387 -2.347 5.173 1.00 0.00 N ATOM 811 CA ALA 1 55 -5.698 -1.868 6.509 1.00 0.00 C ATOM 812 C ALA 1 55 -5.790 -0.342 6.490 1.00 0.00 C ATOM 813 O ALA 1 55 -6.874 0.220 6.645 1.00 0.00 O ATOM 814 CB ALA 1 55 -4.641 -2.377 7.492 1.00 0.00 C ATOM 0 H ALA 1 55 -4.773 -3.161 5.144 1.00 0.00 H new ATOM 0 HA ALA 1 55 -6.663 -2.252 6.840 1.00 0.00 H new ATOM 0 HB1 ALA 1 55 -4.874 -2.018 8.495 1.00 0.00 H new ATOM 0 HB2 ALA 1 55 -4.636 -3.467 7.489 1.00 0.00 H new ATOM 0 HB3 ALA 1 55 -3.659 -2.009 7.194 1.00 0.00 H new ATOM 820 N GLU 1 56 -4.639 0.287 6.299 1.00 0.00 N ATOM 821 CA GLU 1 56 -4.577 1.738 6.258 1.00 0.00 C ATOM 822 C GLU 1 56 -3.926 2.204 4.955 1.00 0.00 C ATOM 823 O GLU 1 56 -3.527 3.363 4.836 1.00 0.00 O ATOM 824 CB GLU 1 56 -3.828 2.290 7.473 1.00 0.00 C ATOM 825 CG GLU 1 56 -4.805 2.752 8.556 1.00 0.00 C ATOM 826 CD GLU 1 56 -4.676 1.891 9.815 1.00 0.00 C ATOM 827 OE1 GLU 1 56 -3.734 2.158 10.591 1.00 0.00 O ATOM 828 OE2 GLU 1 56 -5.524 0.985 9.972 1.00 0.00 O ATOM 0 H GLU 1 56 -3.742 -0.182 6.171 1.00 0.00 H new ATOM 0 HA GLU 1 56 -5.595 2.127 6.293 1.00 0.00 H new ATOM 0 HB2 GLU 1 56 -3.168 1.523 7.877 1.00 0.00 H new ATOM 0 HB3 GLU 1 56 -3.197 3.125 7.167 1.00 0.00 H new ATOM 0 HG2 GLU 1 56 -4.612 3.796 8.804 1.00 0.00 H new ATOM 0 HG3 GLU 1 56 -5.826 2.698 8.177 1.00 0.00 H new ATOM 835 N CYS 1 57 -3.839 1.280 4.010 1.00 0.00 N ATOM 836 CA CYS 1 57 -3.243 1.582 2.720 1.00 0.00 C ATOM 837 C CYS 1 57 -4.368 1.913 1.736 1.00 0.00 C ATOM 838 O CYS 1 57 -4.756 3.071 1.600 1.00 0.00 O ATOM 839 CB CYS 1 57 -2.367 0.432 2.218 1.00 0.00 C ATOM 840 SG CYS 1 57 -1.598 0.712 0.581 1.00 0.00 S ATOM 0 H CYS 1 57 -4.172 0.321 4.112 1.00 0.00 H new ATOM 0 HA CYS 1 57 -2.580 2.442 2.816 1.00 0.00 H new ATOM 0 HB2 CYS 1 57 -1.578 0.249 2.948 1.00 0.00 H new ATOM 0 HB3 CYS 1 57 -2.972 -0.473 2.169 1.00 0.00 H new ATOM 845 N THR 1 58 -4.859 0.873 1.078 1.00 0.00 N ATOM 846 CA THR 1 58 -5.932 1.039 0.111 1.00 0.00 C ATOM 847 C THR 1 58 -6.851 2.189 0.527 1.00 0.00 C ATOM 848 O THR 1 58 -7.311 2.957 -0.316 1.00 0.00 O ATOM 849 CB THR 1 58 -6.658 -0.301 -0.023 1.00 0.00 C ATOM 850 OG1 THR 1 58 -7.218 -0.263 -1.333 1.00 0.00 O ATOM 851 CG2 THR 1 58 -7.874 -0.404 0.899 1.00 0.00 C ATOM 0 H THR 1 58 -4.534 -0.087 1.195 1.00 0.00 H new ATOM 0 HA THR 1 58 -5.543 1.314 -0.869 1.00 0.00 H new ATOM 0 HB THR 1 58 -5.965 -1.112 0.199 1.00 0.00 H new ATOM 0 HG1 THR 1 58 -7.464 0.659 -1.557 1.00 0.00 H new ATOM 0 HG21 THR 1 58 -8.352 -1.374 0.764 1.00 0.00 H new ATOM 0 HG22 THR 1 58 -7.555 -0.298 1.936 1.00 0.00 H new ATOM 0 HG23 THR 1 58 -8.583 0.387 0.656 1.00 0.00 H new ATOM 859 N PHE 1 59 -7.092 2.271 1.828 1.00 0.00 N ATOM 860 CA PHE 1 59 -7.948 3.315 2.366 1.00 0.00 C ATOM 861 C PHE 1 59 -7.833 4.598 1.541 1.00 0.00 C ATOM 862 O PHE 1 59 -8.781 5.378 1.465 1.00 0.00 O ATOM 863 CB PHE 1 59 -7.470 3.594 3.793 1.00 0.00 C ATOM 864 CG PHE 1 59 -8.487 4.348 4.652 1.00 0.00 C ATOM 865 CD1 PHE 1 59 -8.794 5.641 4.365 1.00 0.00 C ATOM 866 CD2 PHE 1 59 -9.081 3.725 5.705 1.00 0.00 C ATOM 867 CE1 PHE 1 59 -9.738 6.341 5.163 1.00 0.00 C ATOM 868 CE2 PHE 1 59 -10.025 4.424 6.503 1.00 0.00 C ATOM 869 CZ PHE 1 59 -10.333 5.717 6.216 1.00 0.00 C ATOM 0 H PHE 1 59 -6.709 1.632 2.525 1.00 0.00 H new ATOM 0 HA PHE 1 59 -8.989 2.992 2.342 1.00 0.00 H new ATOM 0 HB2 PHE 1 59 -7.231 2.647 4.277 1.00 0.00 H new ATOM 0 HB3 PHE 1 59 -6.547 4.172 3.750 1.00 0.00 H new ATOM 0 HD1 PHE 1 59 -8.320 6.136 3.530 1.00 0.00 H new ATOM 0 HD2 PHE 1 59 -8.835 2.699 5.934 1.00 0.00 H new ATOM 0 HE1 PHE 1 59 -9.983 7.368 4.934 1.00 0.00 H new ATOM 0 HE2 PHE 1 59 -10.498 3.929 7.338 1.00 0.00 H new ATOM 0 HZ PHE 1 59 -11.050 6.249 6.824 1.00 0.00 H new TER 879 PHE 1 59 ATOM 880 N GLU 2 1 -22.298 1.568 -2.689 1.00 0.00 N ATOM 881 CA GLU 2 1 -21.064 2.085 -3.256 1.00 0.00 C ATOM 882 C GLU 2 1 -20.004 2.243 -2.165 1.00 0.00 C ATOM 883 O GLU 2 1 -19.615 3.361 -1.829 1.00 0.00 O ATOM 884 CB GLU 2 1 -21.307 3.410 -3.981 1.00 0.00 C ATOM 885 CG GLU 2 1 -22.352 3.247 -5.086 1.00 0.00 C ATOM 886 CD GLU 2 1 -23.206 4.510 -5.222 1.00 0.00 C ATOM 887 OE1 GLU 2 1 -22.626 5.549 -5.602 1.00 0.00 O ATOM 888 OE2 GLU 2 1 -24.420 4.407 -4.942 1.00 0.00 O ATOM 0 H1 GLU 2 1 -22.616 0.746 -3.241 1.00 0.00 H new ATOM 0 H2 GLU 2 1 -22.133 1.281 -1.703 1.00 0.00 H new ATOM 0 H3 GLU 2 1 -23.029 2.307 -2.717 1.00 0.00 H new ATOM 0 HA GLU 2 1 -20.696 1.369 -3.991 1.00 0.00 H new ATOM 0 HB2 GLU 2 1 -21.642 4.163 -3.267 1.00 0.00 H new ATOM 0 HB3 GLU 2 1 -20.372 3.771 -4.410 1.00 0.00 H new ATOM 0 HG2 GLU 2 1 -21.855 3.035 -6.033 1.00 0.00 H new ATOM 0 HG3 GLU 2 1 -22.992 2.393 -4.864 1.00 0.00 H new ATOM 895 N GLU 2 2 -19.566 1.107 -1.640 1.00 0.00 N ATOM 896 CA GLU 2 2 -18.560 1.106 -0.593 1.00 0.00 C ATOM 897 C GLU 2 2 -17.158 1.178 -1.203 1.00 0.00 C ATOM 898 O GLU 2 2 -16.175 1.370 -0.490 1.00 0.00 O ATOM 899 CB GLU 2 2 -18.703 -0.125 0.305 1.00 0.00 C ATOM 900 CG GLU 2 2 -19.478 0.214 1.581 1.00 0.00 C ATOM 901 CD GLU 2 2 -19.087 -0.725 2.724 1.00 0.00 C ATOM 902 OE1 GLU 2 2 -17.949 -0.574 3.219 1.00 0.00 O ATOM 903 OE2 GLU 2 2 -19.936 -1.571 3.078 1.00 0.00 O ATOM 0 H GLU 2 2 -19.890 0.182 -1.921 1.00 0.00 H new ATOM 0 HA GLU 2 2 -18.711 1.989 0.029 1.00 0.00 H new ATOM 0 HB2 GLU 2 2 -19.218 -0.918 -0.238 1.00 0.00 H new ATOM 0 HB3 GLU 2 2 -17.716 -0.506 0.565 1.00 0.00 H new ATOM 0 HG2 GLU 2 2 -19.279 1.246 1.869 1.00 0.00 H new ATOM 0 HG3 GLU 2 2 -20.549 0.137 1.392 1.00 0.00 H new ATOM 910 N TYR 2 3 -17.112 1.020 -2.519 1.00 0.00 N ATOM 911 CA TYR 2 3 -15.848 1.065 -3.233 1.00 0.00 C ATOM 912 C TYR 2 3 -15.547 2.482 -3.726 1.00 0.00 C ATOM 913 O TYR 2 3 -15.832 2.818 -4.874 1.00 0.00 O ATOM 914 CB TYR 2 3 -16.015 0.142 -4.443 1.00 0.00 C ATOM 915 CG TYR 2 3 -17.383 0.245 -5.120 1.00 0.00 C ATOM 916 CD1 TYR 2 3 -18.425 -0.554 -4.693 1.00 0.00 C ATOM 917 CD2 TYR 2 3 -17.575 1.135 -6.156 1.00 0.00 C ATOM 918 CE1 TYR 2 3 -19.713 -0.458 -5.330 1.00 0.00 C ATOM 919 CE2 TYR 2 3 -18.863 1.232 -6.793 1.00 0.00 C ATOM 920 CZ TYR 2 3 -19.869 0.430 -6.349 1.00 0.00 C ATOM 921 OH TYR 2 3 -21.084 0.522 -6.951 1.00 0.00 O ATOM 0 H TYR 2 3 -17.930 0.861 -3.108 1.00 0.00 H new ATOM 0 HA TYR 2 3 -15.028 0.759 -2.583 1.00 0.00 H new ATOM 0 HB2 TYR 2 3 -15.241 0.375 -5.174 1.00 0.00 H new ATOM 0 HB3 TYR 2 3 -15.855 -0.888 -4.126 1.00 0.00 H new ATOM 0 HD1 TYR 2 3 -18.274 -1.251 -3.882 1.00 0.00 H new ATOM 0 HD2 TYR 2 3 -16.759 1.759 -6.490 1.00 0.00 H new ATOM 0 HE1 TYR 2 3 -20.537 -1.077 -5.006 1.00 0.00 H new ATOM 0 HE2 TYR 2 3 -19.027 1.925 -7.605 1.00 0.00 H new ATOM 0 HH TYR 2 3 -21.047 1.198 -7.660 1.00 0.00 H new ATOM 931 N VAL 2 4 -14.973 3.275 -2.833 1.00 0.00 N ATOM 932 CA VAL 2 4 -14.629 4.647 -3.162 1.00 0.00 C ATOM 933 C VAL 2 4 -13.251 4.975 -2.587 1.00 0.00 C ATOM 934 O VAL 2 4 -12.348 5.376 -3.319 1.00 0.00 O ATOM 935 CB VAL 2 4 -15.725 5.594 -2.666 1.00 0.00 C ATOM 936 CG1 VAL 2 4 -16.995 5.449 -3.506 1.00 0.00 C ATOM 937 CG2 VAL 2 4 -16.018 5.363 -1.183 1.00 0.00 C ATOM 0 H VAL 2 4 -14.738 2.993 -1.881 1.00 0.00 H new ATOM 0 HA VAL 2 4 -14.569 4.777 -4.243 1.00 0.00 H new ATOM 0 HB VAL 2 4 -15.363 6.616 -2.780 1.00 0.00 H new ATOM 0 HG11 VAL 2 4 -17.758 6.132 -3.133 1.00 0.00 H new ATOM 0 HG12 VAL 2 4 -16.772 5.686 -4.546 1.00 0.00 H new ATOM 0 HG13 VAL 2 4 -17.361 4.425 -3.438 1.00 0.00 H new ATOM 0 HG21 VAL 2 4 -16.800 6.048 -0.856 1.00 0.00 H new ATOM 0 HG22 VAL 2 4 -16.350 4.336 -1.033 1.00 0.00 H new ATOM 0 HG23 VAL 2 4 -15.113 5.540 -0.601 1.00 0.00 H new ATOM 947 N GLY 2 5 -13.131 4.793 -1.280 1.00 0.00 N ATOM 948 CA GLY 2 5 -11.878 5.065 -0.597 1.00 0.00 C ATOM 949 C GLY 2 5 -10.791 4.080 -1.034 1.00 0.00 C ATOM 950 O GLY 2 5 -9.657 4.153 -0.563 1.00 0.00 O ATOM 0 H GLY 2 5 -13.882 4.460 -0.676 1.00 0.00 H new ATOM 0 HA2 GLY 2 5 -11.557 6.085 -0.810 1.00 0.00 H new ATOM 0 HA3 GLY 2 5 -12.025 4.996 0.481 1.00 0.00 H new ATOM 954 N LEU 2 6 -11.175 3.182 -1.929 1.00 0.00 N ATOM 955 CA LEU 2 6 -10.248 2.184 -2.435 1.00 0.00 C ATOM 956 C LEU 2 6 -10.665 1.778 -3.850 1.00 0.00 C ATOM 957 O LEU 2 6 -10.341 0.682 -4.305 1.00 0.00 O ATOM 958 CB LEU 2 6 -10.144 1.008 -1.463 1.00 0.00 C ATOM 959 CG LEU 2 6 -11.470 0.395 -1.007 1.00 0.00 C ATOM 960 CD1 LEU 2 6 -12.214 1.337 -0.060 1.00 0.00 C ATOM 961 CD2 LEU 2 6 -12.329 -0.006 -2.209 1.00 0.00 C ATOM 0 H LEU 2 6 -12.116 3.125 -2.317 1.00 0.00 H new ATOM 0 HA LEU 2 6 -9.242 2.599 -2.505 1.00 0.00 H new ATOM 0 HB2 LEU 2 6 -9.547 0.226 -1.933 1.00 0.00 H new ATOM 0 HB3 LEU 2 6 -9.597 1.339 -0.580 1.00 0.00 H new ATOM 0 HG LEU 2 6 -11.251 -0.515 -0.448 1.00 0.00 H new ATOM 0 HD11 LEU 2 6 -13.153 0.876 0.248 1.00 0.00 H new ATOM 0 HD12 LEU 2 6 -11.599 1.530 0.819 1.00 0.00 H new ATOM 0 HD13 LEU 2 6 -12.422 2.277 -0.571 1.00 0.00 H new ATOM 0 HD21 LEU 2 6 -13.266 -0.439 -1.858 1.00 0.00 H new ATOM 0 HD22 LEU 2 6 -12.541 0.875 -2.815 1.00 0.00 H new ATOM 0 HD23 LEU 2 6 -11.793 -0.740 -2.811 1.00 0.00 H new ATOM 973 N SER 2 7 -11.376 2.683 -4.506 1.00 0.00 N ATOM 974 CA SER 2 7 -11.841 2.432 -5.860 1.00 0.00 C ATOM 975 C SER 2 7 -11.049 3.287 -6.851 1.00 0.00 C ATOM 976 O SER 2 7 -10.647 4.404 -6.530 1.00 0.00 O ATOM 977 CB SER 2 7 -13.338 2.718 -5.990 1.00 0.00 C ATOM 978 OG SER 2 7 -13.781 2.635 -7.342 1.00 0.00 O ATOM 0 H SER 2 7 -11.642 3.591 -4.125 1.00 0.00 H new ATOM 0 HA SER 2 7 -11.679 1.378 -6.088 1.00 0.00 H new ATOM 0 HB2 SER 2 7 -13.897 2.008 -5.381 1.00 0.00 H new ATOM 0 HB3 SER 2 7 -13.553 3.712 -5.598 1.00 0.00 H new ATOM 0 HG SER 2 7 -14.742 2.822 -7.383 1.00 0.00 H new ATOM 984 N ALA 2 8 -10.848 2.728 -8.036 1.00 0.00 N ATOM 985 CA ALA 2 8 -10.111 3.425 -9.077 1.00 0.00 C ATOM 986 C ALA 2 8 -10.789 4.766 -9.364 1.00 0.00 C ATOM 987 O ALA 2 8 -11.612 4.868 -10.273 1.00 0.00 O ATOM 988 CB ALA 2 8 -10.022 2.538 -10.320 1.00 0.00 C ATOM 0 H ALA 2 8 -11.183 1.801 -8.298 1.00 0.00 H new ATOM 0 HA ALA 2 8 -9.092 3.634 -8.752 1.00 0.00 H new ATOM 0 HB1 ALA 2 8 -9.469 3.060 -11.101 1.00 0.00 H new ATOM 0 HB2 ALA 2 8 -9.507 1.611 -10.069 1.00 0.00 H new ATOM 0 HB3 ALA 2 8 -11.026 2.310 -10.677 1.00 0.00 H new ATOM 994 N ASN 2 9 -10.419 5.762 -8.573 1.00 0.00 N ATOM 995 CA ASN 2 9 -10.981 7.093 -8.731 1.00 0.00 C ATOM 996 C ASN 2 9 -10.557 7.966 -7.548 1.00 0.00 C ATOM 997 O ASN 2 9 -10.419 9.180 -7.685 1.00 0.00 O ATOM 998 CB ASN 2 9 -12.510 7.046 -8.760 1.00 0.00 C ATOM 999 CG ASN 2 9 -13.060 7.831 -9.951 1.00 0.00 C ATOM 1000 OD1 ASN 2 9 -13.485 7.276 -10.951 1.00 0.00 O ATOM 1001 ND2 ASN 2 9 -13.030 9.151 -9.790 1.00 0.00 N ATOM 0 H ASN 2 9 -9.736 5.674 -7.820 1.00 0.00 H new ATOM 0 HA ASN 2 9 -10.615 7.503 -9.672 1.00 0.00 H new ATOM 0 HB2 ASN 2 9 -12.844 6.010 -8.817 1.00 0.00 H new ATOM 0 HB3 ASN 2 9 -12.908 7.459 -7.833 1.00 0.00 H new ATOM 0 HD21 ASN 2 9 -13.376 9.763 -10.529 1.00 0.00 H new ATOM 0 HD22 ASN 2 9 -12.661 9.551 -8.927 1.00 0.00 H new ATOM 1008 N GLN 2 10 -10.361 7.312 -6.412 1.00 0.00 N ATOM 1009 CA GLN 2 10 -9.957 8.012 -5.206 1.00 0.00 C ATOM 1010 C GLN 2 10 -8.604 8.696 -5.417 1.00 0.00 C ATOM 1011 O GLN 2 10 -8.312 9.711 -4.786 1.00 0.00 O ATOM 1012 CB GLN 2 10 -9.908 7.060 -4.008 1.00 0.00 C ATOM 1013 CG GLN 2 10 -10.415 7.747 -2.739 1.00 0.00 C ATOM 1014 CD GLN 2 10 -9.319 7.810 -1.675 1.00 0.00 C ATOM 1015 OE1 GLN 2 10 -8.807 6.624 -1.355 1.00 0.00 O flip ATOM 1016 NE2 GLN 2 10 -8.961 8.864 -1.175 1.00 0.00 N flip ATOM 0 H GLN 2 10 -10.475 6.304 -6.302 1.00 0.00 H new ATOM 0 HA GLN 2 10 -10.701 8.779 -4.989 1.00 0.00 H new ATOM 0 HB2 GLN 2 10 -10.514 6.178 -4.215 1.00 0.00 H new ATOM 0 HB3 GLN 2 10 -8.885 6.715 -3.855 1.00 0.00 H new ATOM 0 HG2 GLN 2 10 -10.754 8.755 -2.978 1.00 0.00 H new ATOM 0 HG3 GLN 2 10 -11.276 7.206 -2.347 1.00 0.00 H new ATOM 0 HE21 GLN 2 10 -9.395 9.740 -1.466 1.00 0.00 H new ATOM 0 HE22 GLN 2 10 -8.227 8.869 -0.466 1.00 0.00 H new ATOM 1025 N CYS 2 11 -7.815 8.113 -6.308 1.00 0.00 N ATOM 1026 CA CYS 2 11 -6.502 8.653 -6.611 1.00 0.00 C ATOM 1027 C CYS 2 11 -6.685 9.921 -7.449 1.00 0.00 C ATOM 1028 O CYS 2 11 -5.714 10.607 -7.763 1.00 0.00 O ATOM 1029 CB CYS 2 11 -5.616 7.626 -7.319 1.00 0.00 C ATOM 1030 SG CYS 2 11 -3.951 8.232 -7.776 1.00 0.00 S ATOM 0 H CYS 2 11 -8.061 7.272 -6.830 1.00 0.00 H new ATOM 0 HA CYS 2 11 -5.987 8.902 -5.683 1.00 0.00 H new ATOM 0 HB2 CYS 2 11 -5.505 6.756 -6.672 1.00 0.00 H new ATOM 0 HB3 CYS 2 11 -6.125 7.289 -8.222 1.00 0.00 H new ATOM 1035 N ALA 2 12 -7.937 10.194 -7.785 1.00 0.00 N ATOM 1036 CA ALA 2 12 -8.261 11.366 -8.580 1.00 0.00 C ATOM 1037 C ALA 2 12 -9.042 12.360 -7.719 1.00 0.00 C ATOM 1038 O ALA 2 12 -9.619 13.315 -8.238 1.00 0.00 O ATOM 1039 CB ALA 2 12 -9.035 10.939 -9.829 1.00 0.00 C ATOM 0 H ALA 2 12 -8.740 9.623 -7.521 1.00 0.00 H new ATOM 0 HA ALA 2 12 -7.352 11.865 -8.917 1.00 0.00 H new ATOM 0 HB1 ALA 2 12 -9.278 11.819 -10.425 1.00 0.00 H new ATOM 0 HB2 ALA 2 12 -8.424 10.257 -10.420 1.00 0.00 H new ATOM 0 HB3 ALA 2 12 -9.956 10.436 -9.532 1.00 0.00 H new ATOM 1045 N VAL 2 13 -9.037 12.102 -6.420 1.00 0.00 N ATOM 1046 CA VAL 2 13 -9.739 12.962 -5.483 1.00 0.00 C ATOM 1047 C VAL 2 13 -9.448 14.425 -5.824 1.00 0.00 C ATOM 1048 O VAL 2 13 -8.535 14.717 -6.594 1.00 0.00 O ATOM 1049 CB VAL 2 13 -9.355 12.595 -4.048 1.00 0.00 C ATOM 1050 CG1 VAL 2 13 -8.486 13.684 -3.417 1.00 0.00 C ATOM 1051 CG2 VAL 2 13 -10.601 12.327 -3.199 1.00 0.00 C ATOM 0 H VAL 2 13 -8.558 11.309 -5.994 1.00 0.00 H new ATOM 0 HA VAL 2 13 -10.816 12.817 -5.565 1.00 0.00 H new ATOM 0 HB VAL 2 13 -8.768 11.677 -4.082 1.00 0.00 H new ATOM 0 HG11 VAL 2 13 -8.227 13.398 -2.397 1.00 0.00 H new ATOM 0 HG12 VAL 2 13 -7.574 13.806 -4.002 1.00 0.00 H new ATOM 0 HG13 VAL 2 13 -9.036 14.625 -3.401 1.00 0.00 H new ATOM 0 HG21 VAL 2 13 -10.301 12.068 -2.184 1.00 0.00 H new ATOM 0 HG22 VAL 2 13 -11.225 13.220 -3.176 1.00 0.00 H new ATOM 0 HG23 VAL 2 13 -11.166 11.501 -3.632 1.00 0.00 H new ATOM 1061 N PRO 2 14 -10.262 15.329 -5.218 1.00 0.00 N ATOM 1062 CA PRO 2 14 -10.102 16.755 -5.449 1.00 0.00 C ATOM 1063 C PRO 2 14 -8.884 17.298 -4.700 1.00 0.00 C ATOM 1064 O PRO 2 14 -8.845 18.474 -4.340 1.00 0.00 O ATOM 1065 CB PRO 2 14 -11.409 17.378 -4.988 1.00 0.00 C ATOM 1066 CG PRO 2 14 -12.070 16.345 -4.090 1.00 0.00 C ATOM 1067 CD PRO 2 14 -11.355 15.020 -4.300 1.00 0.00 C ATOM 0 HA PRO 2 14 -9.911 16.993 -6.495 1.00 0.00 H new ATOM 0 HB2 PRO 2 14 -11.229 18.307 -4.448 1.00 0.00 H new ATOM 0 HB3 PRO 2 14 -12.047 17.622 -5.838 1.00 0.00 H new ATOM 0 HG2 PRO 2 14 -12.008 16.651 -3.046 1.00 0.00 H new ATOM 0 HG3 PRO 2 14 -13.129 16.250 -4.332 1.00 0.00 H new ATOM 0 HD2 PRO 2 14 -10.980 14.619 -3.358 1.00 0.00 H new ATOM 0 HD3 PRO 2 14 -12.026 14.271 -4.721 1.00 0.00 H new ATOM 1075 N ALA 2 15 -7.918 16.416 -4.486 1.00 0.00 N ATOM 1076 CA ALA 2 15 -6.702 16.792 -3.785 1.00 0.00 C ATOM 1077 C ALA 2 15 -7.069 17.527 -2.495 1.00 0.00 C ATOM 1078 O ALA 2 15 -6.761 18.708 -2.340 1.00 0.00 O ATOM 1079 CB ALA 2 15 -5.822 17.637 -4.708 1.00 0.00 C ATOM 0 H ALA 2 15 -7.953 15.442 -4.786 1.00 0.00 H new ATOM 0 HA ALA 2 15 -6.129 15.907 -3.508 1.00 0.00 H new ATOM 0 HB1 ALA 2 15 -4.910 17.919 -4.183 1.00 0.00 H new ATOM 0 HB2 ALA 2 15 -5.565 17.059 -5.596 1.00 0.00 H new ATOM 0 HB3 ALA 2 15 -6.363 18.536 -5.004 1.00 0.00 H new ATOM 1085 N LYS 2 16 -7.722 16.800 -1.601 1.00 0.00 N ATOM 1086 CA LYS 2 16 -8.135 17.369 -0.329 1.00 0.00 C ATOM 1087 C LYS 2 16 -8.937 16.328 0.454 1.00 0.00 C ATOM 1088 O LYS 2 16 -9.893 16.670 1.150 1.00 0.00 O ATOM 1089 CB LYS 2 16 -8.882 18.685 -0.548 1.00 0.00 C ATOM 1090 CG LYS 2 16 -9.810 18.593 -1.761 1.00 0.00 C ATOM 1091 CD LYS 2 16 -11.267 18.826 -1.357 1.00 0.00 C ATOM 1092 CE LYS 2 16 -11.813 17.638 -0.562 1.00 0.00 C ATOM 1093 NZ LYS 2 16 -13.257 17.457 -0.826 1.00 0.00 N ATOM 0 H LYS 2 16 -7.976 15.821 -1.732 1.00 0.00 H new ATOM 0 HA LYS 2 16 -7.264 17.622 0.276 1.00 0.00 H new ATOM 0 HB2 LYS 2 16 -9.463 18.930 0.341 1.00 0.00 H new ATOM 0 HB3 LYS 2 16 -8.166 19.494 -0.694 1.00 0.00 H new ATOM 0 HG2 LYS 2 16 -9.513 19.331 -2.507 1.00 0.00 H new ATOM 0 HG3 LYS 2 16 -9.710 17.612 -2.226 1.00 0.00 H new ATOM 0 HD2 LYS 2 16 -11.341 19.734 -0.758 1.00 0.00 H new ATOM 0 HD3 LYS 2 16 -11.875 18.982 -2.248 1.00 0.00 H new ATOM 0 HE2 LYS 2 16 -11.271 16.732 -0.833 1.00 0.00 H new ATOM 0 HE3 LYS 2 16 -11.650 17.800 0.503 1.00 0.00 H new ATOM 0 HZ1 LYS 2 16 -13.766 17.362 0.076 1.00 0.00 H new ATOM 0 HZ2 LYS 2 16 -13.621 18.282 -1.344 1.00 0.00 H new ATOM 0 HZ3 LYS 2 16 -13.401 16.599 -1.396 1.00 0.00 H new ATOM 1107 N ASP 2 17 -8.520 15.077 0.314 1.00 0.00 N ATOM 1108 CA ASP 2 17 -9.189 13.985 1.000 1.00 0.00 C ATOM 1109 C ASP 2 17 -8.230 12.799 1.117 1.00 0.00 C ATOM 1110 O ASP 2 17 -8.650 11.683 1.418 1.00 0.00 O ATOM 1111 CB ASP 2 17 -10.423 13.521 0.224 1.00 0.00 C ATOM 1112 CG ASP 2 17 -11.459 12.758 1.053 1.00 0.00 C ATOM 1113 OD1 ASP 2 17 -11.131 12.438 2.215 1.00 0.00 O ATOM 1114 OD2 ASP 2 17 -12.555 12.513 0.504 1.00 0.00 O ATOM 0 H ASP 2 17 -7.728 14.796 -0.264 1.00 0.00 H new ATOM 0 HA ASP 2 17 -9.495 14.341 1.984 1.00 0.00 H new ATOM 0 HB2 ASP 2 17 -10.905 14.393 -0.218 1.00 0.00 H new ATOM 0 HB3 ASP 2 17 -10.098 12.884 -0.599 1.00 0.00 H new ATOM 1119 N ARG 2 18 -6.959 13.082 0.873 1.00 0.00 N ATOM 1120 CA ARG 2 18 -5.935 12.052 0.947 1.00 0.00 C ATOM 1121 C ARG 2 18 -5.357 11.980 2.362 1.00 0.00 C ATOM 1122 O ARG 2 18 -5.699 12.793 3.219 1.00 0.00 O ATOM 1123 CB ARG 2 18 -4.805 12.326 -0.045 1.00 0.00 C ATOM 1124 CG ARG 2 18 -5.360 12.628 -1.439 1.00 0.00 C ATOM 1125 CD ARG 2 18 -4.565 13.748 -2.115 1.00 0.00 C ATOM 1126 NE ARG 2 18 -4.881 13.791 -3.560 1.00 0.00 N ATOM 1127 CZ ARG 2 18 -4.105 14.378 -4.481 1.00 0.00 C ATOM 1128 NH1 ARG 2 18 -2.963 14.975 -4.115 1.00 0.00 N ATOM 1129 NH2 ARG 2 18 -4.473 14.369 -5.770 1.00 0.00 N ATOM 0 H ARG 2 18 -6.614 14.009 0.624 1.00 0.00 H new ATOM 0 HA ARG 2 18 -6.402 11.101 0.693 1.00 0.00 H new ATOM 0 HB2 ARG 2 18 -4.207 13.169 0.303 1.00 0.00 H new ATOM 0 HB3 ARG 2 18 -4.141 11.463 -0.093 1.00 0.00 H new ATOM 0 HG2 ARG 2 18 -5.321 11.728 -2.053 1.00 0.00 H new ATOM 0 HG3 ARG 2 18 -6.408 12.916 -1.362 1.00 0.00 H new ATOM 0 HD2 ARG 2 18 -4.805 14.706 -1.653 1.00 0.00 H new ATOM 0 HD3 ARG 2 18 -3.497 13.584 -1.973 1.00 0.00 H new ATOM 0 HE ARG 2 18 -5.743 13.346 -3.874 1.00 0.00 H new ATOM 0 HH11 ARG 2 18 -2.683 14.983 -3.134 1.00 0.00 H new ATOM 0 HH12 ARG 2 18 -2.373 15.422 -4.817 1.00 0.00 H new ATOM 0 HH21 ARG 2 18 -5.343 13.916 -6.049 1.00 0.00 H new ATOM 0 HH22 ARG 2 18 -3.883 14.816 -6.472 1.00 0.00 H new ATOM 1143 N VAL 2 19 -4.489 10.998 2.563 1.00 0.00 N ATOM 1144 CA VAL 2 19 -3.860 10.810 3.859 1.00 0.00 C ATOM 1145 C VAL 2 19 -2.412 11.301 3.795 1.00 0.00 C ATOM 1146 O VAL 2 19 -1.581 10.903 4.609 1.00 0.00 O ATOM 1147 CB VAL 2 19 -3.975 9.345 4.288 1.00 0.00 C ATOM 1148 CG1 VAL 2 19 -3.551 9.167 5.747 1.00 0.00 C ATOM 1149 CG2 VAL 2 19 -5.393 8.817 4.061 1.00 0.00 C ATOM 0 H VAL 2 19 -4.207 10.325 1.850 1.00 0.00 H new ATOM 0 HA VAL 2 19 -4.370 11.400 4.620 1.00 0.00 H new ATOM 0 HB VAL 2 19 -3.296 8.760 3.668 1.00 0.00 H new ATOM 0 HG11 VAL 2 19 -3.642 8.117 6.027 1.00 0.00 H new ATOM 0 HG12 VAL 2 19 -2.516 9.486 5.867 1.00 0.00 H new ATOM 0 HG13 VAL 2 19 -4.193 9.771 6.389 1.00 0.00 H new ATOM 0 HG21 VAL 2 19 -5.447 7.774 4.374 1.00 0.00 H new ATOM 0 HG22 VAL 2 19 -6.099 9.408 4.644 1.00 0.00 H new ATOM 0 HG23 VAL 2 19 -5.644 8.892 3.003 1.00 0.00 H new ATOM 1159 N ASP 2 20 -2.156 12.160 2.819 1.00 0.00 N ATOM 1160 CA ASP 2 20 -0.823 12.711 2.638 1.00 0.00 C ATOM 1161 C ASP 2 20 0.213 11.695 3.124 1.00 0.00 C ATOM 1162 O ASP 2 20 0.649 11.749 4.272 1.00 0.00 O ATOM 1163 CB ASP 2 20 -0.643 13.995 3.449 1.00 0.00 C ATOM 1164 CG ASP 2 20 0.798 14.307 3.854 1.00 0.00 C ATOM 1165 OD1 ASP 2 20 1.632 14.433 2.931 1.00 0.00 O ATOM 1166 OD2 ASP 2 20 1.034 14.414 5.077 1.00 0.00 O ATOM 0 H ASP 2 20 -2.848 12.488 2.146 1.00 0.00 H new ATOM 0 HA ASP 2 20 -0.690 12.932 1.579 1.00 0.00 H new ATOM 0 HB2 ASP 2 20 -1.030 14.832 2.867 1.00 0.00 H new ATOM 0 HB3 ASP 2 20 -1.251 13.925 4.351 1.00 0.00 H new ATOM 1171 N CYS 2 21 0.578 10.793 2.224 1.00 0.00 N ATOM 1172 CA CYS 2 21 1.554 9.768 2.546 1.00 0.00 C ATOM 1173 C CYS 2 21 2.779 10.447 3.164 1.00 0.00 C ATOM 1174 O CYS 2 21 3.434 9.879 4.036 1.00 0.00 O ATOM 1175 CB CYS 2 21 1.925 8.933 1.318 1.00 0.00 C ATOM 1176 SG CYS 2 21 2.023 7.130 1.618 1.00 0.00 S ATOM 0 H CYS 2 21 0.215 10.752 1.272 1.00 0.00 H new ATOM 0 HA CYS 2 21 1.126 9.069 3.264 1.00 0.00 H new ATOM 0 HB2 CYS 2 21 1.190 9.118 0.535 1.00 0.00 H new ATOM 0 HB3 CYS 2 21 2.887 9.277 0.939 1.00 0.00 H new ATOM 1181 N GLY 2 22 3.049 11.654 2.687 1.00 0.00 N ATOM 1182 CA GLY 2 22 4.182 12.416 3.182 1.00 0.00 C ATOM 1183 C GLY 2 22 5.439 11.548 3.253 1.00 0.00 C ATOM 1184 O GLY 2 22 6.018 11.374 4.324 1.00 0.00 O ATOM 0 H GLY 2 22 2.503 12.122 1.964 1.00 0.00 H new ATOM 0 HA2 GLY 2 22 4.363 13.271 2.530 1.00 0.00 H new ATOM 0 HA3 GLY 2 22 3.954 12.813 4.171 1.00 0.00 H new ATOM 1188 N TYR 2 23 5.824 11.025 2.098 1.00 0.00 N ATOM 1189 CA TYR 2 23 7.001 10.178 2.016 1.00 0.00 C ATOM 1190 C TYR 2 23 8.252 11.006 1.713 1.00 0.00 C ATOM 1191 O TYR 2 23 8.197 11.962 0.942 1.00 0.00 O ATOM 1192 CB TYR 2 23 6.749 9.215 0.853 1.00 0.00 C ATOM 1193 CG TYR 2 23 6.518 7.766 1.284 1.00 0.00 C ATOM 1194 CD1 TYR 2 23 7.595 6.943 1.544 1.00 0.00 C ATOM 1195 CD2 TYR 2 23 5.232 7.281 1.414 1.00 0.00 C ATOM 1196 CE1 TYR 2 23 7.377 5.579 1.950 1.00 0.00 C ATOM 1197 CE2 TYR 2 23 5.015 5.917 1.820 1.00 0.00 C ATOM 1198 CZ TYR 2 23 6.098 5.133 2.068 1.00 0.00 C ATOM 1199 OH TYR 2 23 5.893 3.845 2.451 1.00 0.00 O ATOM 0 H TYR 2 23 5.341 11.172 1.211 1.00 0.00 H new ATOM 0 HA TYR 2 23 7.166 9.659 2.960 1.00 0.00 H new ATOM 0 HB2 TYR 2 23 5.880 9.559 0.292 1.00 0.00 H new ATOM 0 HB3 TYR 2 23 7.601 9.250 0.175 1.00 0.00 H new ATOM 0 HD1 TYR 2 23 8.601 7.322 1.443 1.00 0.00 H new ATOM 0 HD2 TYR 2 23 4.389 7.925 1.211 1.00 0.00 H new ATOM 0 HE1 TYR 2 23 8.211 4.925 2.156 1.00 0.00 H new ATOM 0 HE2 TYR 2 23 4.014 5.525 1.925 1.00 0.00 H new ATOM 0 HH TYR 2 23 5.027 3.536 2.111 1.00 0.00 H new ATOM 1209 N PRO 2 24 9.380 10.598 2.354 1.00 0.00 N ATOM 1210 CA PRO 2 24 10.642 11.292 2.161 1.00 0.00 C ATOM 1211 C PRO 2 24 11.253 10.953 0.799 1.00 0.00 C ATOM 1212 O PRO 2 24 12.272 11.522 0.414 1.00 0.00 O ATOM 1213 CB PRO 2 24 11.514 10.854 3.327 1.00 0.00 C ATOM 1214 CG PRO 2 24 10.879 9.583 3.869 1.00 0.00 C ATOM 1215 CD PRO 2 24 9.484 9.470 3.276 1.00 0.00 C ATOM 0 HA PRO 2 24 10.528 12.376 2.150 1.00 0.00 H new ATOM 0 HB2 PRO 2 24 12.538 10.671 3.001 1.00 0.00 H new ATOM 0 HB3 PRO 2 24 11.557 11.627 4.094 1.00 0.00 H new ATOM 0 HG2 PRO 2 24 11.479 8.713 3.602 1.00 0.00 H new ATOM 0 HG3 PRO 2 24 10.830 9.615 4.957 1.00 0.00 H new ATOM 0 HD2 PRO 2 24 9.350 8.521 2.757 1.00 0.00 H new ATOM 0 HD3 PRO 2 24 8.719 9.520 4.051 1.00 0.00 H new ATOM 1223 N HIS 2 25 10.602 10.028 0.110 1.00 0.00 N ATOM 1224 CA HIS 2 25 11.067 9.607 -1.201 1.00 0.00 C ATOM 1225 C HIS 2 25 9.970 9.851 -2.238 1.00 0.00 C ATOM 1226 O HIS 2 25 10.079 9.407 -3.379 1.00 0.00 O ATOM 1227 CB HIS 2 25 11.538 8.151 -1.169 1.00 0.00 C ATOM 1228 CG HIS 2 25 13.035 7.987 -1.269 1.00 0.00 C ATOM 1229 ND1 HIS 2 25 13.776 7.274 -0.343 1.00 0.00 N ATOM 1230 CD2 HIS 2 25 13.922 8.451 -2.196 1.00 0.00 C ATOM 1231 CE1 HIS 2 25 15.050 7.314 -0.705 1.00 0.00 C ATOM 1232 NE2 HIS 2 25 15.138 8.045 -1.854 1.00 0.00 N ATOM 0 H HIS 2 25 9.757 9.558 0.434 1.00 0.00 H new ATOM 0 HA HIS 2 25 11.933 10.203 -1.491 1.00 0.00 H new ATOM 0 HB2 HIS 2 25 11.193 7.689 -0.244 1.00 0.00 H new ATOM 0 HB3 HIS 2 25 11.068 7.610 -1.990 1.00 0.00 H new ATOM 0 HD2 HIS 2 25 13.676 9.048 -3.062 1.00 0.00 H new ATOM 0 HE1 HIS 2 25 15.874 6.850 -0.183 1.00 0.00 H new ATOM 0 HE2 HIS 2 25 15.997 8.246 -2.366 1.00 0.00 H new ATOM 1241 N VAL 2 26 8.937 10.560 -1.804 1.00 0.00 N ATOM 1242 CA VAL 2 26 7.820 10.869 -2.681 1.00 0.00 C ATOM 1243 C VAL 2 26 8.345 11.136 -4.093 1.00 0.00 C ATOM 1244 O VAL 2 26 9.205 11.995 -4.288 1.00 0.00 O ATOM 1245 CB VAL 2 26 7.015 12.038 -2.111 1.00 0.00 C ATOM 1246 CG1 VAL 2 26 7.943 13.139 -1.590 1.00 0.00 C ATOM 1247 CG2 VAL 2 26 6.039 12.591 -3.150 1.00 0.00 C ATOM 0 H VAL 2 26 8.851 10.929 -0.857 1.00 0.00 H new ATOM 0 HA VAL 2 26 7.137 10.022 -2.743 1.00 0.00 H new ATOM 0 HB VAL 2 26 6.431 11.664 -1.270 1.00 0.00 H new ATOM 0 HG11 VAL 2 26 7.346 13.959 -1.190 1.00 0.00 H new ATOM 0 HG12 VAL 2 26 8.580 12.736 -0.803 1.00 0.00 H new ATOM 0 HG13 VAL 2 26 8.565 13.507 -2.406 1.00 0.00 H new ATOM 0 HG21 VAL 2 26 5.480 13.421 -2.718 1.00 0.00 H new ATOM 0 HG22 VAL 2 26 6.594 12.941 -4.020 1.00 0.00 H new ATOM 0 HG23 VAL 2 26 5.347 11.806 -3.453 1.00 0.00 H new ATOM 1257 N THR 2 27 7.806 10.385 -5.042 1.00 0.00 N ATOM 1258 CA THR 2 27 8.211 10.531 -6.430 1.00 0.00 C ATOM 1259 C THR 2 27 7.225 9.808 -7.351 1.00 0.00 C ATOM 1260 O THR 2 27 6.510 8.907 -6.915 1.00 0.00 O ATOM 1261 CB THR 2 27 9.648 10.024 -6.561 1.00 0.00 C ATOM 1262 OG1 THR 2 27 10.368 11.145 -7.065 1.00 0.00 O ATOM 1263 CG2 THR 2 27 9.797 8.963 -7.654 1.00 0.00 C ATOM 0 H THR 2 27 7.093 9.674 -4.878 1.00 0.00 H new ATOM 0 HA THR 2 27 8.192 11.576 -6.739 1.00 0.00 H new ATOM 0 HB THR 2 27 9.975 9.611 -5.607 1.00 0.00 H new ATOM 0 HG1 THR 2 27 11.311 10.904 -7.178 1.00 0.00 H new ATOM 0 HG21 THR 2 27 10.836 8.637 -7.705 1.00 0.00 H new ATOM 0 HG22 THR 2 27 9.160 8.110 -7.422 1.00 0.00 H new ATOM 0 HG23 THR 2 27 9.502 9.386 -8.614 1.00 0.00 H new ATOM 1271 N PRO 2 28 7.218 10.241 -8.640 1.00 0.00 N ATOM 1272 CA PRO 2 28 6.333 9.645 -9.626 1.00 0.00 C ATOM 1273 C PRO 2 28 6.839 8.266 -10.055 1.00 0.00 C ATOM 1274 O PRO 2 28 6.905 7.970 -11.246 1.00 0.00 O ATOM 1275 CB PRO 2 28 6.288 10.644 -10.770 1.00 0.00 C ATOM 1276 CG PRO 2 28 7.505 11.538 -10.591 1.00 0.00 C ATOM 1277 CD PRO 2 28 8.051 11.306 -9.191 1.00 0.00 C ATOM 0 HA PRO 2 28 5.332 9.462 -9.236 1.00 0.00 H new ATOM 0 HB2 PRO 2 28 6.315 10.136 -11.734 1.00 0.00 H new ATOM 0 HB3 PRO 2 28 5.368 11.227 -10.743 1.00 0.00 H new ATOM 0 HG2 PRO 2 28 8.263 11.306 -11.340 1.00 0.00 H new ATOM 0 HG3 PRO 2 28 7.233 12.585 -10.726 1.00 0.00 H new ATOM 0 HD2 PRO 2 28 9.101 11.013 -9.219 1.00 0.00 H new ATOM 0 HD3 PRO 2 28 7.988 12.211 -8.586 1.00 0.00 H new ATOM 1285 N LYS 2 29 7.183 7.462 -9.061 1.00 0.00 N ATOM 1286 CA LYS 2 29 7.681 6.122 -9.321 1.00 0.00 C ATOM 1287 C LYS 2 29 8.023 5.443 -7.993 1.00 0.00 C ATOM 1288 O LYS 2 29 8.110 4.217 -7.922 1.00 0.00 O ATOM 1289 CB LYS 2 29 8.849 6.166 -10.308 1.00 0.00 C ATOM 1290 CG LYS 2 29 8.762 5.015 -11.311 1.00 0.00 C ATOM 1291 CD LYS 2 29 9.015 5.509 -12.737 1.00 0.00 C ATOM 1292 CE LYS 2 29 8.465 4.520 -13.767 1.00 0.00 C ATOM 1293 NZ LYS 2 29 7.868 5.242 -14.912 1.00 0.00 N ATOM 0 H LYS 2 29 7.127 7.712 -8.074 1.00 0.00 H new ATOM 0 HA LYS 2 29 6.912 5.516 -9.800 1.00 0.00 H new ATOM 0 HB2 LYS 2 29 8.845 7.118 -10.840 1.00 0.00 H new ATOM 0 HB3 LYS 2 29 9.792 6.109 -9.764 1.00 0.00 H new ATOM 0 HG2 LYS 2 29 9.492 4.248 -11.053 1.00 0.00 H new ATOM 0 HG3 LYS 2 29 7.778 4.551 -11.253 1.00 0.00 H new ATOM 0 HD2 LYS 2 29 8.546 6.483 -12.877 1.00 0.00 H new ATOM 0 HD3 LYS 2 29 10.085 5.645 -12.894 1.00 0.00 H new ATOM 0 HE2 LYS 2 29 9.265 3.869 -14.118 1.00 0.00 H new ATOM 0 HE3 LYS 2 29 7.715 3.881 -13.302 1.00 0.00 H new ATOM 0 HZ1 LYS 2 29 7.500 4.556 -15.601 1.00 0.00 H new ATOM 0 HZ2 LYS 2 29 7.091 5.845 -14.575 1.00 0.00 H new ATOM 0 HZ3 LYS 2 29 8.593 5.833 -15.366 1.00 0.00 H new ATOM 1307 N GLU 2 30 8.209 6.268 -6.973 1.00 0.00 N ATOM 1308 CA GLU 2 30 8.540 5.763 -5.652 1.00 0.00 C ATOM 1309 C GLU 2 30 7.269 5.580 -4.820 1.00 0.00 C ATOM 1310 O GLU 2 30 7.095 4.555 -4.164 1.00 0.00 O ATOM 1311 CB GLU 2 30 9.531 6.689 -4.943 1.00 0.00 C ATOM 1312 CG GLU 2 30 10.946 6.108 -4.977 1.00 0.00 C ATOM 1313 CD GLU 2 30 11.424 5.912 -6.417 1.00 0.00 C ATOM 1314 OE1 GLU 2 30 11.125 4.832 -6.973 1.00 0.00 O ATOM 1315 OE2 GLU 2 30 12.077 6.846 -6.931 1.00 0.00 O ATOM 0 H GLU 2 30 8.137 7.284 -7.035 1.00 0.00 H new ATOM 0 HA GLU 2 30 9.020 4.791 -5.766 1.00 0.00 H new ATOM 0 HB2 GLU 2 30 9.525 7.668 -5.421 1.00 0.00 H new ATOM 0 HB3 GLU 2 30 9.220 6.837 -3.909 1.00 0.00 H new ATOM 0 HG2 GLU 2 30 11.629 6.775 -4.451 1.00 0.00 H new ATOM 0 HG3 GLU 2 30 10.964 5.153 -4.451 1.00 0.00 H new ATOM 1322 N CYS 2 31 6.414 6.590 -4.874 1.00 0.00 N ATOM 1323 CA CYS 2 31 5.164 6.554 -4.134 1.00 0.00 C ATOM 1324 C CYS 2 31 4.421 5.271 -4.510 1.00 0.00 C ATOM 1325 O CYS 2 31 4.095 4.461 -3.643 1.00 0.00 O ATOM 1326 CB CYS 2 31 4.317 7.801 -4.391 1.00 0.00 C ATOM 1327 SG CYS 2 31 4.955 9.334 -3.622 1.00 0.00 S ATOM 0 H CYS 2 31 6.562 7.439 -5.419 1.00 0.00 H new ATOM 0 HA CYS 2 31 5.372 6.552 -3.064 1.00 0.00 H new ATOM 0 HB2 CYS 2 31 4.241 7.956 -5.467 1.00 0.00 H new ATOM 0 HB3 CYS 2 31 3.307 7.619 -4.023 1.00 0.00 H new ATOM 1332 N ASN 2 32 4.174 5.125 -5.804 1.00 0.00 N ATOM 1333 CA ASN 2 32 3.475 3.954 -6.305 1.00 0.00 C ATOM 1334 C ASN 2 32 4.284 2.700 -5.970 1.00 0.00 C ATOM 1335 O ASN 2 32 3.782 1.583 -6.088 1.00 0.00 O ATOM 1336 CB ASN 2 32 3.311 4.020 -7.825 1.00 0.00 C ATOM 1337 CG ASN 2 32 1.949 4.602 -8.206 1.00 0.00 C ATOM 1338 OD1 ASN 2 32 1.655 5.741 -7.585 1.00 0.00 O flip ATOM 1339 ND2 ASN 2 32 1.213 4.053 -9.010 1.00 0.00 N flip ATOM 0 H ASN 2 32 4.446 5.798 -6.520 1.00 0.00 H new ATOM 0 HA ASN 2 32 2.491 3.922 -5.837 1.00 0.00 H new ATOM 0 HB2 ASN 2 32 4.105 4.632 -8.253 1.00 0.00 H new ATOM 0 HB3 ASN 2 32 3.415 3.021 -8.249 1.00 0.00 H new ATOM 0 HD21 ASN 2 32 1.501 3.179 -9.451 1.00 0.00 H new ATOM 0 HD22 ASN 2 32 0.310 4.468 -9.241 1.00 0.00 H new ATOM 1346 N ASN 2 33 5.523 2.927 -5.560 1.00 0.00 N ATOM 1347 CA ASN 2 33 6.407 1.828 -5.207 1.00 0.00 C ATOM 1348 C ASN 2 33 6.210 1.475 -3.731 1.00 0.00 C ATOM 1349 O ASN 2 33 6.274 0.305 -3.355 1.00 0.00 O ATOM 1350 CB ASN 2 33 7.873 2.215 -5.408 1.00 0.00 C ATOM 1351 CG ASN 2 33 8.673 1.046 -5.988 1.00 0.00 C ATOM 1352 OD1 ASN 2 33 8.130 0.086 -6.511 1.00 0.00 O ATOM 1353 ND2 ASN 2 33 9.991 1.179 -5.866 1.00 0.00 N ATOM 0 H ASN 2 33 5.936 3.855 -5.464 1.00 0.00 H new ATOM 0 HA ASN 2 33 6.166 0.981 -5.849 1.00 0.00 H new ATOM 0 HB2 ASN 2 33 7.938 3.073 -6.077 1.00 0.00 H new ATOM 0 HB3 ASN 2 33 8.306 2.520 -4.456 1.00 0.00 H new ATOM 0 HD21 ASN 2 33 10.612 0.452 -6.221 1.00 0.00 H new ATOM 0 HD22 ASN 2 33 10.381 2.008 -5.417 1.00 0.00 H new ATOM 1360 N ARG 2 34 5.973 2.506 -2.935 1.00 0.00 N ATOM 1361 CA ARG 2 34 5.766 2.319 -1.508 1.00 0.00 C ATOM 1362 C ARG 2 34 4.314 1.922 -1.230 1.00 0.00 C ATOM 1363 O ARG 2 34 4.026 1.281 -0.221 1.00 0.00 O ATOM 1364 CB ARG 2 34 6.095 3.596 -0.732 1.00 0.00 C ATOM 1365 CG ARG 2 34 7.256 4.350 -1.384 1.00 0.00 C ATOM 1366 CD ARG 2 34 8.421 4.514 -0.406 1.00 0.00 C ATOM 1367 NE ARG 2 34 9.685 4.090 -1.050 1.00 0.00 N ATOM 1368 CZ ARG 2 34 10.901 4.302 -0.529 1.00 0.00 C ATOM 1369 NH1 ARG 2 34 11.025 4.934 0.646 1.00 0.00 N ATOM 1370 NH2 ARG 2 34 11.992 3.881 -1.183 1.00 0.00 N ATOM 0 H ARG 2 34 5.919 3.475 -3.250 1.00 0.00 H new ATOM 0 HA ARG 2 34 6.434 1.524 -1.177 1.00 0.00 H new ATOM 0 HB2 ARG 2 34 5.216 4.239 -0.693 1.00 0.00 H new ATOM 0 HB3 ARG 2 34 6.352 3.345 0.297 1.00 0.00 H new ATOM 0 HG2 ARG 2 34 7.593 3.811 -2.269 1.00 0.00 H new ATOM 0 HG3 ARG 2 34 6.916 5.330 -1.718 1.00 0.00 H new ATOM 0 HD2 ARG 2 34 8.496 5.554 -0.088 1.00 0.00 H new ATOM 0 HD3 ARG 2 34 8.242 3.919 0.489 1.00 0.00 H new ATOM 0 HE ARG 2 34 9.626 3.606 -1.946 1.00 0.00 H new ATOM 0 HH11 ARG 2 34 10.194 5.253 1.143 1.00 0.00 H new ATOM 0 HH12 ARG 2 34 11.951 5.096 1.043 1.00 0.00 H new ATOM 0 HH21 ARG 2 34 11.897 3.399 -2.077 1.00 0.00 H new ATOM 0 HH22 ARG 2 34 12.918 4.042 -0.787 1.00 0.00 H new ATOM 1384 N GLY 2 35 3.441 2.317 -2.144 1.00 0.00 N ATOM 1385 CA GLY 2 35 2.027 2.010 -2.011 1.00 0.00 C ATOM 1386 C GLY 2 35 1.193 3.290 -1.927 1.00 0.00 C ATOM 1387 O GLY 2 35 0.075 3.275 -1.414 1.00 0.00 O ATOM 0 H GLY 2 35 3.685 2.847 -2.980 1.00 0.00 H new ATOM 0 HA2 GLY 2 35 1.699 1.413 -2.862 1.00 0.00 H new ATOM 0 HA3 GLY 2 35 1.865 1.407 -1.118 1.00 0.00 H new ATOM 1391 N CYS 2 36 1.768 4.367 -2.441 1.00 0.00 N ATOM 1392 CA CYS 2 36 1.092 5.653 -2.432 1.00 0.00 C ATOM 1393 C CYS 2 36 0.819 6.063 -3.881 1.00 0.00 C ATOM 1394 O CYS 2 36 1.320 5.434 -4.812 1.00 0.00 O ATOM 1395 CB CYS 2 36 1.902 6.713 -1.682 1.00 0.00 C ATOM 1396 SG CYS 2 36 2.428 6.228 0.002 1.00 0.00 S ATOM 0 H CYS 2 36 2.695 4.376 -2.867 1.00 0.00 H new ATOM 0 HA CYS 2 36 0.147 5.566 -1.896 1.00 0.00 H new ATOM 0 HB2 CYS 2 36 2.788 6.955 -2.269 1.00 0.00 H new ATOM 0 HB3 CYS 2 36 1.307 7.624 -1.613 1.00 0.00 H new ATOM 1401 N CYS 2 37 0.025 7.114 -4.025 1.00 0.00 N ATOM 1402 CA CYS 2 37 -0.320 7.615 -5.344 1.00 0.00 C ATOM 1403 C CYS 2 37 0.281 9.013 -5.500 1.00 0.00 C ATOM 1404 O CYS 2 37 0.121 9.863 -4.625 1.00 0.00 O ATOM 1405 CB CYS 2 37 -1.833 7.615 -5.571 1.00 0.00 C ATOM 1406 SG CYS 2 37 -2.350 7.374 -7.310 1.00 0.00 S ATOM 0 H CYS 2 37 -0.389 7.632 -3.250 1.00 0.00 H new ATOM 0 HA CYS 2 37 0.095 6.956 -6.106 1.00 0.00 H new ATOM 0 HB2 CYS 2 37 -2.277 6.827 -4.962 1.00 0.00 H new ATOM 0 HB3 CYS 2 37 -2.240 8.561 -5.214 1.00 0.00 H new ATOM 1411 N PHE 2 38 0.959 9.209 -6.622 1.00 0.00 N ATOM 1412 CA PHE 2 38 1.585 10.490 -6.903 1.00 0.00 C ATOM 1413 C PHE 2 38 0.655 11.386 -7.723 1.00 0.00 C ATOM 1414 O PHE 2 38 0.254 11.026 -8.828 1.00 0.00 O ATOM 1415 CB PHE 2 38 2.846 10.202 -7.720 1.00 0.00 C ATOM 1416 CG PHE 2 38 3.772 11.409 -7.883 1.00 0.00 C ATOM 1417 CD1 PHE 2 38 4.567 11.800 -6.851 1.00 0.00 C ATOM 1418 CD2 PHE 2 38 3.800 12.091 -9.059 1.00 0.00 C ATOM 1419 CE1 PHE 2 38 5.425 12.920 -7.002 1.00 0.00 C ATOM 1420 CE2 PHE 2 38 4.659 13.212 -9.210 1.00 0.00 C ATOM 1421 CZ PHE 2 38 5.454 13.602 -8.178 1.00 0.00 C ATOM 0 H PHE 2 38 1.088 8.503 -7.346 1.00 0.00 H new ATOM 0 HA PHE 2 38 1.813 11.005 -5.970 1.00 0.00 H new ATOM 0 HB2 PHE 2 38 3.400 9.394 -7.241 1.00 0.00 H new ATOM 0 HB3 PHE 2 38 2.553 9.846 -8.708 1.00 0.00 H new ATOM 0 HD1 PHE 2 38 4.545 11.258 -5.917 1.00 0.00 H new ATOM 0 HD2 PHE 2 38 3.169 11.780 -9.878 1.00 0.00 H new ATOM 0 HE1 PHE 2 38 6.056 13.231 -6.182 1.00 0.00 H new ATOM 0 HE2 PHE 2 38 4.681 13.754 -10.144 1.00 0.00 H new ATOM 0 HZ PHE 2 38 6.108 14.453 -8.292 1.00 0.00 H new ATOM 1431 N ASP 2 39 0.338 12.538 -7.148 1.00 0.00 N ATOM 1432 CA ASP 2 39 -0.539 13.488 -7.812 1.00 0.00 C ATOM 1433 C ASP 2 39 0.282 14.338 -8.785 1.00 0.00 C ATOM 1434 O ASP 2 39 0.335 14.044 -9.978 1.00 0.00 O ATOM 1435 CB ASP 2 39 -1.196 14.430 -6.801 1.00 0.00 C ATOM 1436 CG ASP 2 39 -1.442 15.852 -7.307 1.00 0.00 C ATOM 1437 OD1 ASP 2 39 -2.316 15.997 -8.190 1.00 0.00 O ATOM 1438 OD2 ASP 2 39 -0.753 16.763 -6.801 1.00 0.00 O ATOM 0 H ASP 2 39 0.672 12.834 -6.231 1.00 0.00 H new ATOM 0 HA ASP 2 39 -1.312 12.925 -8.336 1.00 0.00 H new ATOM 0 HB2 ASP 2 39 -2.149 14.000 -6.493 1.00 0.00 H new ATOM 0 HB3 ASP 2 39 -0.567 14.481 -5.912 1.00 0.00 H new ATOM 1443 N SER 2 40 0.901 15.375 -8.239 1.00 0.00 N ATOM 1444 CA SER 2 40 1.716 16.269 -9.044 1.00 0.00 C ATOM 1445 C SER 2 40 0.836 17.343 -9.686 1.00 0.00 C ATOM 1446 O SER 2 40 1.319 18.416 -10.041 1.00 0.00 O ATOM 1447 CB SER 2 40 2.481 15.497 -10.121 1.00 0.00 C ATOM 1448 OG SER 2 40 3.811 15.983 -10.283 1.00 0.00 O ATOM 0 H SER 2 40 0.854 15.616 -7.249 1.00 0.00 H new ATOM 0 HA SER 2 40 2.445 16.748 -8.391 1.00 0.00 H new ATOM 0 HB2 SER 2 40 2.511 14.440 -9.857 1.00 0.00 H new ATOM 0 HB3 SER 2 40 1.949 15.574 -11.069 1.00 0.00 H new ATOM 0 HG SER 2 40 4.418 15.473 -9.707 1.00 0.00 H new ATOM 1454 N ARG 2 41 -0.442 17.016 -9.816 1.00 0.00 N ATOM 1455 CA ARG 2 41 -1.394 17.940 -10.409 1.00 0.00 C ATOM 1456 C ARG 2 41 -1.540 19.187 -9.535 1.00 0.00 C ATOM 1457 O ARG 2 41 -1.588 20.305 -10.044 1.00 0.00 O ATOM 1458 CB ARG 2 41 -2.765 17.283 -10.581 1.00 0.00 C ATOM 1459 CG ARG 2 41 -2.624 15.839 -11.066 1.00 0.00 C ATOM 1460 CD ARG 2 41 -3.652 15.524 -12.155 1.00 0.00 C ATOM 1461 NE ARG 2 41 -3.242 16.148 -13.433 1.00 0.00 N ATOM 1462 CZ ARG 2 41 -3.957 16.083 -14.564 1.00 0.00 C ATOM 1463 NH1 ARG 2 41 -5.123 15.421 -14.583 1.00 0.00 N ATOM 1464 NH2 ARG 2 41 -3.507 16.679 -15.677 1.00 0.00 N ATOM 0 H ARG 2 41 -0.840 16.124 -9.521 1.00 0.00 H new ATOM 0 HA ARG 2 41 -1.013 18.223 -11.390 1.00 0.00 H new ATOM 0 HB2 ARG 2 41 -3.302 17.301 -9.633 1.00 0.00 H new ATOM 0 HB3 ARG 2 41 -3.359 17.854 -11.295 1.00 0.00 H new ATOM 0 HG2 ARG 2 41 -1.618 15.678 -11.453 1.00 0.00 H new ATOM 0 HG3 ARG 2 41 -2.756 15.155 -10.227 1.00 0.00 H new ATOM 0 HD2 ARG 2 41 -3.743 14.445 -12.280 1.00 0.00 H new ATOM 0 HD3 ARG 2 41 -4.633 15.894 -11.858 1.00 0.00 H new ATOM 0 HE ARG 2 41 -2.360 16.660 -13.454 1.00 0.00 H new ATOM 0 HH11 ARG 2 41 -5.466 14.967 -13.736 1.00 0.00 H new ATOM 0 HH12 ARG 2 41 -5.667 15.372 -15.444 1.00 0.00 H new ATOM 0 HH21 ARG 2 41 -2.620 17.182 -15.663 1.00 0.00 H new ATOM 0 HH22 ARG 2 41 -4.052 16.629 -16.538 1.00 0.00 H new ATOM 1478 N ILE 2 42 -1.605 18.952 -8.232 1.00 0.00 N ATOM 1479 CA ILE 2 42 -1.744 20.043 -7.282 1.00 0.00 C ATOM 1480 C ILE 2 42 -0.555 20.028 -6.318 1.00 0.00 C ATOM 1481 O ILE 2 42 -0.470 19.167 -5.444 1.00 0.00 O ATOM 1482 CB ILE 2 42 -3.103 19.974 -6.583 1.00 0.00 C ATOM 1483 CG1 ILE 2 42 -4.173 19.406 -7.517 1.00 0.00 C ATOM 1484 CG2 ILE 2 42 -3.500 21.340 -6.019 1.00 0.00 C ATOM 1485 CD1 ILE 2 42 -5.577 19.707 -6.990 1.00 0.00 C ATOM 0 H ILE 2 42 -1.564 18.023 -7.813 1.00 0.00 H new ATOM 0 HA ILE 2 42 -1.725 21.003 -7.798 1.00 0.00 H new ATOM 0 HB ILE 2 42 -3.018 19.290 -5.739 1.00 0.00 H new ATOM 0 HG12 ILE 2 42 -4.055 19.833 -8.513 1.00 0.00 H new ATOM 0 HG13 ILE 2 42 -4.041 18.328 -7.615 1.00 0.00 H new ATOM 0 HG21 ILE 2 42 -4.470 21.263 -5.527 1.00 0.00 H new ATOM 0 HG22 ILE 2 42 -2.752 21.667 -5.297 1.00 0.00 H new ATOM 0 HG23 ILE 2 42 -3.561 22.065 -6.831 1.00 0.00 H new ATOM 0 HD11 ILE 2 42 -6.319 19.292 -7.673 1.00 0.00 H new ATOM 0 HD12 ILE 2 42 -5.700 19.258 -6.004 1.00 0.00 H new ATOM 0 HD13 ILE 2 42 -5.715 20.786 -6.917 1.00 0.00 H new ATOM 1497 N PRO 2 43 0.357 21.018 -6.514 1.00 0.00 N ATOM 1498 CA PRO 2 43 1.536 21.126 -5.674 1.00 0.00 C ATOM 1499 C PRO 2 43 1.178 21.685 -4.295 1.00 0.00 C ATOM 1500 O PRO 2 43 2.033 21.777 -3.417 1.00 0.00 O ATOM 1501 CB PRO 2 43 2.490 22.022 -6.447 1.00 0.00 C ATOM 1502 CG PRO 2 43 1.635 22.756 -7.469 1.00 0.00 C ATOM 1503 CD PRO 2 43 0.289 22.055 -7.540 1.00 0.00 C ATOM 0 HA PRO 2 43 1.996 20.159 -5.470 1.00 0.00 H new ATOM 0 HB2 PRO 2 43 2.993 22.724 -5.782 1.00 0.00 H new ATOM 0 HB3 PRO 2 43 3.267 21.435 -6.937 1.00 0.00 H new ATOM 0 HG2 PRO 2 43 1.507 23.799 -7.181 1.00 0.00 H new ATOM 0 HG3 PRO 2 43 2.119 22.752 -8.445 1.00 0.00 H new ATOM 0 HD2 PRO 2 43 -0.529 22.749 -7.348 1.00 0.00 H new ATOM 0 HD3 PRO 2 43 0.118 21.625 -8.527 1.00 0.00 H new ATOM 1511 N GLY 2 44 -0.090 22.041 -4.148 1.00 0.00 N ATOM 1512 CA GLY 2 44 -0.573 22.587 -2.891 1.00 0.00 C ATOM 1513 C GLY 2 44 -1.122 21.481 -1.987 1.00 0.00 C ATOM 1514 O GLY 2 44 -1.480 21.734 -0.838 1.00 0.00 O ATOM 0 H GLY 2 44 -0.797 21.962 -4.879 1.00 0.00 H new ATOM 0 HA2 GLY 2 44 0.237 23.109 -2.382 1.00 0.00 H new ATOM 0 HA3 GLY 2 44 -1.353 23.323 -3.086 1.00 0.00 H new ATOM 1518 N VAL 2 45 -1.171 20.278 -2.541 1.00 0.00 N ATOM 1519 CA VAL 2 45 -1.671 19.133 -1.801 1.00 0.00 C ATOM 1520 C VAL 2 45 -0.589 18.054 -1.748 1.00 0.00 C ATOM 1521 O VAL 2 45 0.528 18.265 -2.220 1.00 0.00 O ATOM 1522 CB VAL 2 45 -2.979 18.638 -2.420 1.00 0.00 C ATOM 1523 CG1 VAL 2 45 -3.800 19.806 -2.972 1.00 0.00 C ATOM 1524 CG2 VAL 2 45 -2.711 17.594 -3.506 1.00 0.00 C ATOM 0 H VAL 2 45 -0.872 20.072 -3.494 1.00 0.00 H new ATOM 0 HA VAL 2 45 -1.901 19.414 -0.773 1.00 0.00 H new ATOM 0 HB VAL 2 45 -3.563 18.160 -1.633 1.00 0.00 H new ATOM 0 HG11 VAL 2 45 -4.725 19.427 -3.407 1.00 0.00 H new ATOM 0 HG12 VAL 2 45 -4.036 20.499 -2.164 1.00 0.00 H new ATOM 0 HG13 VAL 2 45 -3.225 20.325 -3.739 1.00 0.00 H new ATOM 0 HG21 VAL 2 45 -3.658 17.259 -3.930 1.00 0.00 H new ATOM 0 HG22 VAL 2 45 -2.098 18.035 -4.292 1.00 0.00 H new ATOM 0 HG23 VAL 2 45 -2.186 16.743 -3.071 1.00 0.00 H new ATOM 1534 N PRO 2 46 -0.965 16.890 -1.153 1.00 0.00 N ATOM 1535 CA PRO 2 46 -0.039 15.777 -1.034 1.00 0.00 C ATOM 1536 C PRO 2 46 0.146 15.070 -2.378 1.00 0.00 C ATOM 1537 O PRO 2 46 -0.810 14.541 -2.943 1.00 0.00 O ATOM 1538 CB PRO 2 46 -0.643 14.876 0.032 1.00 0.00 C ATOM 1539 CG PRO 2 46 -2.106 15.276 0.136 1.00 0.00 C ATOM 1540 CD PRO 2 46 -2.278 16.604 -0.583 1.00 0.00 C ATOM 0 HA PRO 2 46 0.964 16.094 -0.749 1.00 0.00 H new ATOM 0 HB2 PRO 2 46 -0.544 13.826 -0.242 1.00 0.00 H new ATOM 0 HB3 PRO 2 46 -0.134 15.005 0.987 1.00 0.00 H new ATOM 0 HG2 PRO 2 46 -2.743 14.514 -0.313 1.00 0.00 H new ATOM 0 HG3 PRO 2 46 -2.404 15.366 1.181 1.00 0.00 H new ATOM 0 HD2 PRO 2 46 -3.041 16.538 -1.359 1.00 0.00 H new ATOM 0 HD3 PRO 2 46 -2.590 17.389 0.105 1.00 0.00 H new ATOM 1548 N TRP 2 47 1.383 15.086 -2.853 1.00 0.00 N ATOM 1549 CA TRP 2 47 1.707 14.452 -4.120 1.00 0.00 C ATOM 1550 C TRP 2 47 2.109 13.004 -3.837 1.00 0.00 C ATOM 1551 O TRP 2 47 2.868 12.407 -4.598 1.00 0.00 O ATOM 1552 CB TRP 2 47 2.788 15.238 -4.865 1.00 0.00 C ATOM 1553 CG TRP 2 47 3.038 16.639 -4.303 1.00 0.00 C ATOM 1554 CD1 TRP 2 47 2.284 17.736 -4.456 1.00 0.00 C ATOM 1555 CD2 TRP 2 47 4.154 17.051 -3.486 1.00 0.00 C ATOM 1556 NE1 TRP 2 47 2.831 18.821 -3.800 1.00 0.00 N ATOM 1557 CE2 TRP 2 47 4.003 18.392 -3.192 1.00 0.00 C ATOM 1558 CE3 TRP 2 47 5.255 16.316 -3.011 1.00 0.00 C ATOM 1559 CZ2 TRP 2 47 4.916 19.112 -2.413 1.00 0.00 C ATOM 1560 CZ3 TRP 2 47 6.158 17.051 -2.234 1.00 0.00 C ATOM 1561 CH2 TRP 2 47 6.020 18.401 -1.929 1.00 0.00 C ATOM 0 H TRP 2 47 2.173 15.528 -2.383 1.00 0.00 H new ATOM 0 HA TRP 2 47 0.841 14.449 -4.782 1.00 0.00 H new ATOM 0 HB2 TRP 2 47 3.720 14.673 -4.833 1.00 0.00 H new ATOM 0 HB3 TRP 2 47 2.503 15.324 -5.913 1.00 0.00 H new ATOM 0 HD1 TRP 2 47 1.364 17.768 -5.021 1.00 0.00 H new ATOM 0 HE1 TRP 2 47 2.445 19.765 -3.768 1.00 0.00 H new ATOM 0 HE3 TRP 2 47 5.393 15.267 -3.229 1.00 0.00 H new ATOM 0 HZ2 TRP 2 47 4.776 20.161 -2.197 1.00 0.00 H new ATOM 0 HZ3 TRP 2 47 7.022 16.534 -1.844 1.00 0.00 H new ATOM 0 HH2 TRP 2 47 6.762 18.898 -1.321 1.00 0.00 H new ATOM 1572 N CYS 2 48 1.580 12.481 -2.740 1.00 0.00 N ATOM 1573 CA CYS 2 48 1.874 11.112 -2.347 1.00 0.00 C ATOM 1574 C CYS 2 48 0.892 10.708 -1.246 1.00 0.00 C ATOM 1575 O CYS 2 48 1.017 11.149 -0.105 1.00 0.00 O ATOM 1576 CB CYS 2 48 3.329 10.953 -1.901 1.00 0.00 C ATOM 1577 SG CYS 2 48 3.916 9.222 -1.805 1.00 0.00 S ATOM 0 H CYS 2 48 0.950 12.980 -2.111 1.00 0.00 H new ATOM 0 HA CYS 2 48 1.751 10.449 -3.204 1.00 0.00 H new ATOM 0 HB2 CYS 2 48 3.969 11.501 -2.593 1.00 0.00 H new ATOM 0 HB3 CYS 2 48 3.447 11.417 -0.922 1.00 0.00 H new ATOM 1582 N PHE 2 49 -0.063 9.873 -1.627 1.00 0.00 N ATOM 1583 CA PHE 2 49 -1.067 9.404 -0.687 1.00 0.00 C ATOM 1584 C PHE 2 49 -1.454 7.952 -0.976 1.00 0.00 C ATOM 1585 O PHE 2 49 -0.806 7.281 -1.779 1.00 0.00 O ATOM 1586 CB PHE 2 49 -2.298 10.293 -0.866 1.00 0.00 C ATOM 1587 CG PHE 2 49 -2.463 10.851 -2.281 1.00 0.00 C ATOM 1588 CD1 PHE 2 49 -1.572 11.760 -2.760 1.00 0.00 C ATOM 1589 CD2 PHE 2 49 -3.500 10.438 -3.059 1.00 0.00 C ATOM 1590 CE1 PHE 2 49 -1.724 12.278 -4.074 1.00 0.00 C ATOM 1591 CE2 PHE 2 49 -3.652 10.957 -4.372 1.00 0.00 C ATOM 1592 CZ PHE 2 49 -2.761 11.866 -4.851 1.00 0.00 C ATOM 0 H PHE 2 49 -0.163 9.509 -2.574 1.00 0.00 H new ATOM 0 HA PHE 2 49 -0.675 9.452 0.329 1.00 0.00 H new ATOM 0 HB2 PHE 2 49 -3.188 9.720 -0.607 1.00 0.00 H new ATOM 0 HB3 PHE 2 49 -2.238 11.124 -0.163 1.00 0.00 H new ATOM 0 HD1 PHE 2 49 -0.749 12.088 -2.142 1.00 0.00 H new ATOM 0 HD2 PHE 2 49 -4.207 9.716 -2.678 1.00 0.00 H new ATOM 0 HE1 PHE 2 49 -1.016 12.999 -4.456 1.00 0.00 H new ATOM 0 HE2 PHE 2 49 -4.475 10.630 -4.990 1.00 0.00 H new ATOM 0 HZ PHE 2 49 -2.877 12.261 -5.849 1.00 0.00 H new ATOM 1602 N LYS 2 50 -2.509 7.510 -0.308 1.00 0.00 N ATOM 1603 CA LYS 2 50 -2.989 6.150 -0.483 1.00 0.00 C ATOM 1604 C LYS 2 50 -4.473 6.182 -0.853 1.00 0.00 C ATOM 1605 O LYS 2 50 -5.325 5.805 -0.050 1.00 0.00 O ATOM 1606 CB LYS 2 50 -2.682 5.308 0.757 1.00 0.00 C ATOM 1607 CG LYS 2 50 -2.687 6.173 2.020 1.00 0.00 C ATOM 1608 CD LYS 2 50 -1.268 6.612 2.389 1.00 0.00 C ATOM 1609 CE LYS 2 50 -0.307 5.422 2.378 1.00 0.00 C ATOM 1610 NZ LYS 2 50 -0.986 4.202 2.868 1.00 0.00 N ATOM 0 H LYS 2 50 -3.045 8.070 0.355 1.00 0.00 H new ATOM 0 HA LYS 2 50 -2.465 5.664 -1.306 1.00 0.00 H new ATOM 0 HB2 LYS 2 50 -3.421 4.513 0.853 1.00 0.00 H new ATOM 0 HB3 LYS 2 50 -1.710 4.828 0.644 1.00 0.00 H new ATOM 0 HG2 LYS 2 50 -3.314 7.051 1.862 1.00 0.00 H new ATOM 0 HG3 LYS 2 50 -3.125 5.614 2.847 1.00 0.00 H new ATOM 0 HD2 LYS 2 50 -0.923 7.369 1.685 1.00 0.00 H new ATOM 0 HD3 LYS 2 50 -1.271 7.073 3.377 1.00 0.00 H new ATOM 0 HE2 LYS 2 50 0.065 5.257 1.367 1.00 0.00 H new ATOM 0 HE3 LYS 2 50 0.558 5.640 3.004 1.00 0.00 H new ATOM 0 HZ1 LYS 2 50 -0.302 3.603 3.374 1.00 0.00 H new ATOM 0 HZ2 LYS 2 50 -1.756 4.469 3.514 1.00 0.00 H new ATOM 0 HZ3 LYS 2 50 -1.377 3.675 2.061 1.00 0.00 H new ATOM 1624 N PRO 2 51 -4.745 6.648 -2.102 1.00 0.00 N ATOM 1625 CA PRO 2 51 -6.111 6.735 -2.588 1.00 0.00 C ATOM 1626 C PRO 2 51 -6.653 5.351 -2.949 1.00 0.00 C ATOM 1627 O PRO 2 51 -7.190 4.647 -2.095 1.00 0.00 O ATOM 1628 CB PRO 2 51 -6.046 7.676 -3.779 1.00 0.00 C ATOM 1629 CG PRO 2 51 -4.587 7.716 -4.200 1.00 0.00 C ATOM 1630 CD PRO 2 51 -3.762 7.104 -3.080 1.00 0.00 C ATOM 0 HA PRO 2 51 -6.802 7.114 -1.835 1.00 0.00 H new ATOM 0 HB2 PRO 2 51 -6.678 7.320 -4.593 1.00 0.00 H new ATOM 0 HB3 PRO 2 51 -6.402 8.671 -3.511 1.00 0.00 H new ATOM 0 HG2 PRO 2 51 -4.442 7.162 -5.127 1.00 0.00 H new ATOM 0 HG3 PRO 2 51 -4.272 8.742 -4.389 1.00 0.00 H new ATOM 0 HD2 PRO 2 51 -3.152 6.277 -3.444 1.00 0.00 H new ATOM 0 HD3 PRO 2 51 -3.081 7.835 -2.645 1.00 0.00 H new ATOM 1638 N LEU 2 52 -6.495 5.001 -4.218 1.00 0.00 N ATOM 1639 CA LEU 2 52 -6.962 3.714 -4.703 1.00 0.00 C ATOM 1640 C LEU 2 52 -5.781 2.742 -4.777 1.00 0.00 C ATOM 1641 O LEU 2 52 -5.680 1.952 -5.715 1.00 0.00 O ATOM 1642 CB LEU 2 52 -7.706 3.878 -6.029 1.00 0.00 C ATOM 1643 CG LEU 2 52 -6.866 3.706 -7.296 1.00 0.00 C ATOM 1644 CD1 LEU 2 52 -7.194 2.386 -7.996 1.00 0.00 C ATOM 1645 CD2 LEU 2 52 -7.030 4.907 -8.230 1.00 0.00 C ATOM 0 H LEU 2 52 -6.050 5.587 -4.924 1.00 0.00 H new ATOM 0 HA LEU 2 52 -7.685 3.286 -4.009 1.00 0.00 H new ATOM 0 HB2 LEU 2 52 -8.521 3.155 -6.057 1.00 0.00 H new ATOM 0 HB3 LEU 2 52 -8.158 4.870 -6.049 1.00 0.00 H new ATOM 0 HG LEU 2 52 -5.816 3.665 -7.007 1.00 0.00 H new ATOM 0 HD11 LEU 2 52 -6.583 2.289 -8.894 1.00 0.00 H new ATOM 0 HD12 LEU 2 52 -6.984 1.555 -7.322 1.00 0.00 H new ATOM 0 HD13 LEU 2 52 -8.249 2.373 -8.272 1.00 0.00 H new ATOM 0 HD21 LEU 2 52 -6.422 4.759 -9.123 1.00 0.00 H new ATOM 0 HD22 LEU 2 52 -8.077 5.005 -8.516 1.00 0.00 H new ATOM 0 HD23 LEU 2 52 -6.707 5.813 -7.717 1.00 0.00 H new ATOM 1657 N GLN 2 53 -4.917 2.834 -3.776 1.00 0.00 N ATOM 1658 CA GLN 2 53 -3.748 1.973 -3.716 1.00 0.00 C ATOM 1659 C GLN 2 53 -4.156 0.511 -3.902 1.00 0.00 C ATOM 1660 O GLN 2 53 -3.319 -0.336 -4.215 1.00 0.00 O ATOM 1661 CB GLN 2 53 -2.991 2.168 -2.402 1.00 0.00 C ATOM 1662 CG GLN 2 53 -2.497 3.611 -2.261 1.00 0.00 C ATOM 1663 CD GLN 2 53 -1.534 3.972 -3.393 1.00 0.00 C ATOM 1664 OE1 GLN 2 53 -1.521 5.081 -3.903 1.00 0.00 O ATOM 1665 NE2 GLN 2 53 -0.728 2.978 -3.756 1.00 0.00 N ATOM 0 H GLN 2 53 -5.003 3.491 -3.001 1.00 0.00 H new ATOM 0 HA GLN 2 53 -3.076 2.248 -4.529 1.00 0.00 H new ATOM 0 HB2 GLN 2 53 -3.641 1.919 -1.563 1.00 0.00 H new ATOM 0 HB3 GLN 2 53 -2.143 1.484 -2.362 1.00 0.00 H new ATOM 0 HG2 GLN 2 53 -3.347 4.293 -2.270 1.00 0.00 H new ATOM 0 HG3 GLN 2 53 -1.998 3.736 -1.300 1.00 0.00 H new ATOM 0 HE21 GLN 2 53 -0.791 2.074 -3.288 1.00 0.00 H new ATOM 0 HE22 GLN 2 53 -0.047 3.120 -4.502 1.00 0.00 H new ATOM 1674 N GLU 2 54 -5.440 0.257 -3.702 1.00 0.00 N ATOM 1675 CA GLU 2 54 -5.969 -1.089 -3.844 1.00 0.00 C ATOM 1676 C GLU 2 54 -5.379 -1.763 -5.084 1.00 0.00 C ATOM 1677 O GLU 2 54 -5.310 -2.990 -5.155 1.00 0.00 O ATOM 1678 CB GLU 2 54 -7.498 -1.076 -3.901 1.00 0.00 C ATOM 1679 CG GLU 2 54 -7.992 -1.105 -5.349 1.00 0.00 C ATOM 1680 CD GLU 2 54 -8.229 -2.542 -5.817 1.00 0.00 C ATOM 1681 OE1 GLU 2 54 -7.717 -3.454 -5.133 1.00 0.00 O ATOM 1682 OE2 GLU 2 54 -8.915 -2.697 -6.850 1.00 0.00 O ATOM 0 H GLU 2 54 -6.131 0.961 -3.442 1.00 0.00 H new ATOM 0 HA GLU 2 54 -5.677 -1.667 -2.967 1.00 0.00 H new ATOM 0 HB2 GLU 2 54 -7.893 -1.936 -3.361 1.00 0.00 H new ATOM 0 HB3 GLU 2 54 -7.877 -0.184 -3.401 1.00 0.00 H new ATOM 0 HG2 GLU 2 54 -8.917 -0.534 -5.433 1.00 0.00 H new ATOM 0 HG3 GLU 2 54 -7.260 -0.624 -5.997 1.00 0.00 H new ATOM 1689 N ALA 2 55 -4.971 -0.932 -6.032 1.00 0.00 N ATOM 1690 CA ALA 2 55 -4.390 -1.433 -7.266 1.00 0.00 C ATOM 1691 C ALA 2 55 -3.634 -2.732 -6.980 1.00 0.00 C ATOM 1692 O ALA 2 55 -4.069 -3.809 -7.386 1.00 0.00 O ATOM 1693 CB ALA 2 55 -3.489 -0.358 -7.878 1.00 0.00 C ATOM 0 H ALA 2 55 -5.031 0.084 -5.970 1.00 0.00 H new ATOM 0 HA ALA 2 55 -5.170 -1.659 -7.993 1.00 0.00 H new ATOM 0 HB1 ALA 2 55 -3.053 -0.733 -8.804 1.00 0.00 H new ATOM 0 HB2 ALA 2 55 -4.079 0.534 -8.090 1.00 0.00 H new ATOM 0 HB3 ALA 2 55 -2.693 -0.108 -7.177 1.00 0.00 H new ATOM 1699 N GLU 2 56 -2.517 -2.588 -6.282 1.00 0.00 N ATOM 1700 CA GLU 2 56 -1.698 -3.737 -5.937 1.00 0.00 C ATOM 1701 C GLU 2 56 -1.312 -3.688 -4.457 1.00 0.00 C ATOM 1702 O GLU 2 56 -0.375 -4.364 -4.034 1.00 0.00 O ATOM 1703 CB GLU 2 56 -0.455 -3.812 -6.826 1.00 0.00 C ATOM 1704 CG GLU 2 56 -0.286 -5.213 -7.415 1.00 0.00 C ATOM 1705 CD GLU 2 56 0.193 -5.144 -8.867 1.00 0.00 C ATOM 1706 OE1 GLU 2 56 1.004 -4.238 -9.154 1.00 0.00 O ATOM 1707 OE2 GLU 2 56 -0.264 -5.999 -9.657 1.00 0.00 O ATOM 0 H GLU 2 56 -2.160 -1.693 -5.946 1.00 0.00 H new ATOM 0 HA GLU 2 56 -2.283 -4.640 -6.110 1.00 0.00 H new ATOM 0 HB2 GLU 2 56 -0.535 -3.082 -7.632 1.00 0.00 H new ATOM 0 HB3 GLU 2 56 0.429 -3.549 -6.245 1.00 0.00 H new ATOM 0 HG2 GLU 2 56 0.430 -5.778 -6.819 1.00 0.00 H new ATOM 0 HG3 GLU 2 56 -1.234 -5.749 -7.366 1.00 0.00 H new ATOM 1714 N CYS 2 57 -2.052 -2.881 -3.712 1.00 0.00 N ATOM 1715 CA CYS 2 57 -1.798 -2.735 -2.288 1.00 0.00 C ATOM 1716 C CYS 2 57 -2.693 -3.722 -1.537 1.00 0.00 C ATOM 1717 O CYS 2 57 -2.208 -4.711 -0.987 1.00 0.00 O ATOM 1718 CB CYS 2 57 -2.019 -1.295 -1.820 1.00 0.00 C ATOM 1719 SG CYS 2 57 -1.057 -0.814 -0.339 1.00 0.00 S ATOM 0 H CYS 2 57 -2.827 -2.321 -4.067 1.00 0.00 H new ATOM 0 HA CYS 2 57 -0.753 -2.961 -2.077 1.00 0.00 H new ATOM 0 HB2 CYS 2 57 -1.765 -0.619 -2.637 1.00 0.00 H new ATOM 0 HB3 CYS 2 57 -3.079 -1.155 -1.609 1.00 0.00 H new ATOM 1724 N THR 2 58 -3.983 -3.422 -1.537 1.00 0.00 N ATOM 1725 CA THR 2 58 -4.950 -4.271 -0.862 1.00 0.00 C ATOM 1726 C THR 2 58 -4.728 -5.737 -1.240 1.00 0.00 C ATOM 1727 O THR 2 58 -4.857 -6.624 -0.398 1.00 0.00 O ATOM 1728 CB THR 2 58 -6.350 -3.760 -1.206 1.00 0.00 C ATOM 1729 OG1 THR 2 58 -7.201 -4.420 -0.273 1.00 0.00 O ATOM 1730 CG2 THR 2 58 -6.836 -4.259 -2.570 1.00 0.00 C ATOM 0 H THR 2 58 -4.382 -2.602 -1.994 1.00 0.00 H new ATOM 0 HA THR 2 58 -4.829 -4.225 0.220 1.00 0.00 H new ATOM 0 HB THR 2 58 -6.351 -2.670 -1.195 1.00 0.00 H new ATOM 0 HG1 THR 2 58 -8.129 -4.144 -0.425 1.00 0.00 H new ATOM 0 HG21 THR 2 58 -7.834 -3.868 -2.766 1.00 0.00 H new ATOM 0 HG22 THR 2 58 -6.153 -3.916 -3.347 1.00 0.00 H new ATOM 0 HG23 THR 2 58 -6.867 -5.349 -2.569 1.00 0.00 H new ATOM 1738 N PHE 2 59 -4.396 -5.945 -2.505 1.00 0.00 N ATOM 1739 CA PHE 2 59 -4.154 -7.288 -3.004 1.00 0.00 C ATOM 1740 C PHE 2 59 -3.508 -8.164 -1.930 1.00 0.00 C ATOM 1741 O PHE 2 59 -2.725 -9.060 -2.242 1.00 0.00 O ATOM 1742 CB PHE 2 59 -3.192 -7.158 -4.187 1.00 0.00 C ATOM 1743 CG PHE 2 59 -3.726 -7.753 -5.491 1.00 0.00 C ATOM 1744 CD1 PHE 2 59 -3.624 -9.090 -5.722 1.00 0.00 C ATOM 1745 CD2 PHE 2 59 -4.302 -6.945 -6.421 1.00 0.00 C ATOM 1746 CE1 PHE 2 59 -4.120 -9.642 -6.933 1.00 0.00 C ATOM 1747 CE2 PHE 2 59 -4.797 -7.497 -7.632 1.00 0.00 C ATOM 1748 CZ PHE 2 59 -4.696 -8.833 -7.863 1.00 0.00 C ATOM 0 H PHE 2 59 -4.289 -5.206 -3.200 1.00 0.00 H new ATOM 0 HA PHE 2 59 -5.096 -7.753 -3.295 1.00 0.00 H new ATOM 0 HB2 PHE 2 59 -2.968 -6.103 -4.346 1.00 0.00 H new ATOM 0 HB3 PHE 2 59 -2.252 -7.649 -3.934 1.00 0.00 H new ATOM 0 HD1 PHE 2 59 -3.166 -9.732 -4.984 1.00 0.00 H new ATOM 0 HD2 PHE 2 59 -4.383 -5.884 -6.238 1.00 0.00 H new ATOM 0 HE1 PHE 2 59 -4.040 -10.703 -7.116 1.00 0.00 H new ATOM 0 HE2 PHE 2 59 -5.254 -6.855 -8.370 1.00 0.00 H new ATOM 0 HZ PHE 2 59 -5.073 -9.252 -8.784 1.00 0.00 H new TER 1758 PHE 2 59