USER MOD reduce.3.24.130724 H: found=0, std=0, add=846, rem=0, adj=21 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+ -179:sc= 0 (180deg=-0.0025) USER MOD Single : 1 3 TYR OH : rot 180:sc= 0 USER MOD Single : 1 7 SER OG : rot 180:sc= 0.428 USER MOD Single : 1 9 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : 1 10 GLN :FLIP amide:sc= -9.67! C(o=-14!,f=-9.7!) USER MOD Single : 1 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 23 TYR OH : rot 150:sc= -1.64! USER MOD Single : 1 25 HIS : no HD1:sc= -2.16 K(o=-2.2,f=-2.7) USER MOD Single : 1 27 THR OG1 : rot 180:sc= -0.165 USER MOD Single : 1 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 32 ASN :FLIP amide:sc= -0.311 F(o=-2.4,f=-0.31) USER MOD Single : 1 33 ASN : amide:sc= -1.36 K(o=-1.4,f=-2.2!) USER MOD Single : 1 40 SER OG : rot -45:sc= -0.292 USER MOD Single : 1 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 53 GLN : amide:sc= -12.6! C(o=-13!,f=-19!) USER MOD Single : 1 58 THR OG1 : rot -35:sc= 0.457 USER MOD Single : 2 1 GLU N :NH3+ 172:sc= -1.92! (180deg=-2.3!) 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 :FLIP amide:sc= -0.26 F(o=-1.1,f=-0.26) USER MOD Single : 2 10 GLN :FLIP amide:sc= -7.3! C(o=-10!,f=-7.3!) USER MOD Single : 2 16 LYS NZ :NH3+ 140:sc= 0.831 (180deg=-0.233) USER MOD Single : 2 23 TYR OH : rot 180:sc= 0 USER MOD Single : 2 25 HIS : no HD1:sc= -1.24 K(o=-1.2,f=-2.4!) USER MOD Single : 2 27 THR OG1 : rot 180:sc= -0.944 USER MOD Single : 2 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 2 32 ASN :FLIP amide:sc= 0 F(o=-0.71,f=0) USER MOD Single : 2 33 ASN : amide:sc= -0.281 K(o=-0.28,f=-2.5!) USER MOD Single : 2 40 SER OG : rot 122:sc= 0.0091 USER MOD Single : 2 50 LYS NZ :NH3+ 168:sc= -0.636 (180deg=-1.37!) USER MOD Single : 2 53 GLN : amide:sc= -14.6! C(o=-15!,f=-24!) USER MOD Single : 2 58 THR OG1 : rot 180:sc= -1.24! USER MOD ----------------------------------------------------------------- ATOM 1 N GLU 1 1 -12.588 -7.710 -7.212 1.00 0.00 N ATOM 2 CA GLU 1 1 -13.998 -7.698 -6.863 1.00 0.00 C ATOM 3 C GLU 1 1 -14.216 -8.383 -5.513 1.00 0.00 C ATOM 4 O GLU 1 1 -14.860 -7.824 -4.626 1.00 0.00 O ATOM 5 CB GLU 1 1 -14.839 -8.359 -7.956 1.00 0.00 C ATOM 6 CG GLU 1 1 -15.547 -7.309 -8.815 1.00 0.00 C ATOM 7 CD GLU 1 1 -15.875 -7.865 -10.202 1.00 0.00 C ATOM 8 OE1 GLU 1 1 -16.282 -9.045 -10.259 1.00 0.00 O ATOM 9 OE2 GLU 1 1 -15.710 -7.096 -11.175 1.00 0.00 O ATOM 0 H1 GLU 1 1 -12.452 -7.227 -8.123 1.00 0.00 H new ATOM 0 H2 GLU 1 1 -12.044 -7.219 -6.474 1.00 0.00 H new ATOM 0 H3 GLU 1 1 -12.258 -8.693 -7.289 1.00 0.00 H new ATOM 0 HA GLU 1 1 -14.323 -6.661 -6.779 1.00 0.00 H new ATOM 0 HB2 GLU 1 1 -14.201 -8.979 -8.586 1.00 0.00 H new ATOM 0 HB3 GLU 1 1 -15.577 -9.020 -7.502 1.00 0.00 H new ATOM 0 HG2 GLU 1 1 -16.465 -6.989 -8.321 1.00 0.00 H new ATOM 0 HG3 GLU 1 1 -14.914 -6.427 -8.913 1.00 0.00 H new ATOM 16 N GLU 1 2 -13.670 -9.585 -5.399 1.00 0.00 N ATOM 17 CA GLU 1 2 -13.797 -10.352 -4.172 1.00 0.00 C ATOM 18 C GLU 1 2 -12.639 -10.031 -3.223 1.00 0.00 C ATOM 19 O GLU 1 2 -11.668 -10.782 -3.148 1.00 0.00 O ATOM 20 CB GLU 1 2 -13.864 -11.852 -4.468 1.00 0.00 C ATOM 21 CG GLU 1 2 -12.536 -12.359 -5.033 1.00 0.00 C ATOM 22 CD GLU 1 2 -12.769 -13.429 -6.102 1.00 0.00 C ATOM 23 OE1 GLU 1 2 -13.598 -13.164 -6.999 1.00 0.00 O ATOM 24 OE2 GLU 1 2 -12.112 -14.487 -5.999 1.00 0.00 O ATOM 0 H GLU 1 2 -13.138 -10.047 -6.137 1.00 0.00 H new ATOM 0 HA GLU 1 2 -14.730 -10.069 -3.684 1.00 0.00 H new ATOM 0 HB2 GLU 1 2 -14.106 -12.396 -3.555 1.00 0.00 H new ATOM 0 HB3 GLU 1 2 -14.666 -12.050 -5.180 1.00 0.00 H new ATOM 0 HG2 GLU 1 2 -11.977 -11.527 -5.462 1.00 0.00 H new ATOM 0 HG3 GLU 1 2 -11.927 -12.770 -4.228 1.00 0.00 H new ATOM 31 N TYR 1 3 -12.781 -8.916 -2.523 1.00 0.00 N ATOM 32 CA TYR 1 3 -11.760 -8.487 -1.583 1.00 0.00 C ATOM 33 C TYR 1 3 -11.644 -9.469 -0.416 1.00 0.00 C ATOM 34 O TYR 1 3 -11.950 -9.123 0.724 1.00 0.00 O ATOM 35 CB TYR 1 3 -12.223 -7.130 -1.048 1.00 0.00 C ATOM 36 CG TYR 1 3 -12.785 -6.197 -2.122 1.00 0.00 C ATOM 37 CD1 TYR 1 3 -12.301 -6.260 -3.414 1.00 0.00 C ATOM 38 CD2 TYR 1 3 -13.777 -5.293 -1.801 1.00 0.00 C ATOM 39 CE1 TYR 1 3 -12.831 -5.382 -4.424 1.00 0.00 C ATOM 40 CE2 TYR 1 3 -14.307 -4.415 -2.811 1.00 0.00 C ATOM 41 CZ TYR 1 3 -13.808 -4.503 -4.073 1.00 0.00 C ATOM 42 OH TYR 1 3 -14.308 -3.674 -5.029 1.00 0.00 O ATOM 0 H TYR 1 3 -13.588 -8.296 -2.588 1.00 0.00 H new ATOM 0 HA TYR 1 3 -10.786 -8.434 -2.070 1.00 0.00 H new ATOM 0 HB2 TYR 1 3 -12.986 -7.292 -0.287 1.00 0.00 H new ATOM 0 HB3 TYR 1 3 -11.383 -6.638 -0.558 1.00 0.00 H new ATOM 0 HD1 TYR 1 3 -11.525 -6.968 -3.666 1.00 0.00 H new ATOM 0 HD2 TYR 1 3 -14.156 -5.244 -0.791 1.00 0.00 H new ATOM 0 HE1 TYR 1 3 -12.461 -5.420 -5.438 1.00 0.00 H new ATOM 0 HE2 TYR 1 3 -15.083 -3.703 -2.572 1.00 0.00 H new ATOM 0 HH TYR 1 3 -15.000 -3.101 -4.636 1.00 0.00 H new ATOM 52 N VAL 1 4 -11.201 -10.675 -0.740 1.00 0.00 N ATOM 53 CA VAL 1 4 -11.039 -11.709 0.268 1.00 0.00 C ATOM 54 C VAL 1 4 -9.619 -12.273 0.191 1.00 0.00 C ATOM 55 O VAL 1 4 -8.890 -12.267 1.182 1.00 0.00 O ATOM 56 CB VAL 1 4 -12.118 -12.780 0.096 1.00 0.00 C ATOM 57 CG1 VAL 1 4 -11.964 -13.887 1.140 1.00 0.00 C ATOM 58 CG2 VAL 1 4 -13.517 -12.163 0.154 1.00 0.00 C ATOM 0 H VAL 1 4 -10.949 -10.959 -1.687 1.00 0.00 H new ATOM 0 HA VAL 1 4 -11.169 -11.293 1.267 1.00 0.00 H new ATOM 0 HB VAL 1 4 -11.990 -13.229 -0.889 1.00 0.00 H new ATOM 0 HG11 VAL 1 4 -12.744 -14.635 0.995 1.00 0.00 H new ATOM 0 HG12 VAL 1 4 -10.986 -14.356 1.031 1.00 0.00 H new ATOM 0 HG13 VAL 1 4 -12.052 -13.460 2.139 1.00 0.00 H new ATOM 0 HG21 VAL 1 4 -14.265 -12.946 0.029 1.00 0.00 H new ATOM 0 HG22 VAL 1 4 -13.660 -11.675 1.118 1.00 0.00 H new ATOM 0 HG23 VAL 1 4 -13.624 -11.428 -0.644 1.00 0.00 H new ATOM 68 N GLY 1 5 -9.269 -12.748 -0.996 1.00 0.00 N ATOM 69 CA GLY 1 5 -7.949 -13.315 -1.214 1.00 0.00 C ATOM 70 C GLY 1 5 -6.874 -12.228 -1.185 1.00 0.00 C ATOM 71 O GLY 1 5 -5.692 -12.514 -1.374 1.00 0.00 O ATOM 0 H GLY 1 5 -9.876 -12.752 -1.816 1.00 0.00 H new ATOM 0 HA2 GLY 1 5 -7.738 -14.060 -0.447 1.00 0.00 H new ATOM 0 HA3 GLY 1 5 -7.925 -13.830 -2.174 1.00 0.00 H new ATOM 75 N LEU 1 6 -7.321 -11.004 -0.948 1.00 0.00 N ATOM 76 CA LEU 1 6 -6.412 -9.872 -0.893 1.00 0.00 C ATOM 77 C LEU 1 6 -6.786 -8.980 0.294 1.00 0.00 C ATOM 78 O LEU 1 6 -6.343 -7.836 0.379 1.00 0.00 O ATOM 79 CB LEU 1 6 -6.390 -9.136 -2.233 1.00 0.00 C ATOM 80 CG LEU 1 6 -7.699 -9.144 -3.024 1.00 0.00 C ATOM 81 CD1 LEU 1 6 -8.349 -7.759 -3.025 1.00 0.00 C ATOM 82 CD2 LEU 1 6 -7.478 -9.674 -4.442 1.00 0.00 C ATOM 0 H LEU 1 6 -8.302 -10.771 -0.792 1.00 0.00 H new ATOM 0 HA LEU 1 6 -5.390 -10.212 -0.727 1.00 0.00 H new ATOM 0 HB2 LEU 1 6 -6.105 -8.100 -2.051 1.00 0.00 H new ATOM 0 HB3 LEU 1 6 -5.610 -9.577 -2.854 1.00 0.00 H new ATOM 0 HG LEU 1 6 -8.393 -9.824 -2.529 1.00 0.00 H new ATOM 0 HD11 LEU 1 6 -9.278 -7.793 -3.594 1.00 0.00 H new ATOM 0 HD12 LEU 1 6 -8.563 -7.457 -2.000 1.00 0.00 H new ATOM 0 HD13 LEU 1 6 -7.670 -7.039 -3.482 1.00 0.00 H new ATOM 0 HD21 LEU 1 6 -8.424 -9.670 -4.984 1.00 0.00 H new ATOM 0 HD22 LEU 1 6 -6.760 -9.038 -4.960 1.00 0.00 H new ATOM 0 HD23 LEU 1 6 -7.092 -10.692 -4.394 1.00 0.00 H new ATOM 94 N SER 1 7 -7.599 -9.539 1.179 1.00 0.00 N ATOM 95 CA SER 1 7 -8.038 -8.809 2.356 1.00 0.00 C ATOM 96 C SER 1 7 -7.354 -9.369 3.605 1.00 0.00 C ATOM 97 O SER 1 7 -6.312 -10.015 3.510 1.00 0.00 O ATOM 98 CB SER 1 7 -9.559 -8.873 2.508 1.00 0.00 C ATOM 99 OG SER 1 7 -10.047 -7.887 3.414 1.00 0.00 O ATOM 0 H SER 1 7 -7.965 -10.488 1.104 1.00 0.00 H new ATOM 0 HA SER 1 7 -7.756 -7.763 2.235 1.00 0.00 H new ATOM 0 HB2 SER 1 7 -10.027 -8.733 1.534 1.00 0.00 H new ATOM 0 HB3 SER 1 7 -9.847 -9.863 2.861 1.00 0.00 H new ATOM 0 HG SER 1 7 -11.022 -7.959 3.482 1.00 0.00 H new ATOM 105 N ALA 1 8 -7.969 -9.101 4.747 1.00 0.00 N ATOM 106 CA ALA 1 8 -7.433 -9.570 6.013 1.00 0.00 C ATOM 107 C ALA 1 8 -7.339 -11.097 5.988 1.00 0.00 C ATOM 108 O ALA 1 8 -8.221 -11.785 6.499 1.00 0.00 O ATOM 109 CB ALA 1 8 -8.308 -9.060 7.160 1.00 0.00 C ATOM 0 H ALA 1 8 -8.834 -8.565 4.822 1.00 0.00 H new ATOM 0 HA ALA 1 8 -6.428 -9.179 6.171 1.00 0.00 H new ATOM 0 HB1 ALA 1 8 -7.905 -9.412 8.109 1.00 0.00 H new ATOM 0 HB2 ALA 1 8 -8.319 -7.970 7.153 1.00 0.00 H new ATOM 0 HB3 ALA 1 8 -9.324 -9.434 7.036 1.00 0.00 H new ATOM 115 N ASN 1 9 -6.261 -11.582 5.388 1.00 0.00 N ATOM 116 CA ASN 1 9 -6.041 -13.014 5.290 1.00 0.00 C ATOM 117 C ASN 1 9 -4.926 -13.286 4.276 1.00 0.00 C ATOM 118 O ASN 1 9 -4.192 -14.265 4.402 1.00 0.00 O ATOM 119 CB ASN 1 9 -7.302 -13.735 4.809 1.00 0.00 C ATOM 120 CG ASN 1 9 -7.637 -14.918 5.718 1.00 0.00 C ATOM 121 OD1 ASN 1 9 -8.651 -14.947 6.396 1.00 0.00 O ATOM 122 ND2 ASN 1 9 -6.732 -15.893 5.693 1.00 0.00 N ATOM 0 H ASN 1 9 -5.531 -11.008 4.965 1.00 0.00 H new ATOM 0 HA ASN 1 9 -5.771 -13.381 6.280 1.00 0.00 H new ATOM 0 HB2 ASN 1 9 -8.139 -13.037 4.790 1.00 0.00 H new ATOM 0 HB3 ASN 1 9 -7.157 -14.086 3.787 1.00 0.00 H new ATOM 0 HD21 ASN 1 9 -6.866 -16.728 6.264 1.00 0.00 H new ATOM 0 HD22 ASN 1 9 -5.905 -15.806 5.103 1.00 0.00 H new ATOM 129 N GLN 1 10 -4.836 -12.402 3.293 1.00 0.00 N ATOM 130 CA GLN 1 10 -3.824 -12.533 2.259 1.00 0.00 C ATOM 131 C GLN 1 10 -2.425 -12.484 2.877 1.00 0.00 C ATOM 132 O GLN 1 10 -1.503 -13.133 2.385 1.00 0.00 O ATOM 133 CB GLN 1 10 -3.990 -11.453 1.189 1.00 0.00 C ATOM 134 CG GLN 1 10 -3.095 -11.735 -0.019 1.00 0.00 C ATOM 135 CD GLN 1 10 -2.270 -10.501 -0.391 1.00 0.00 C ATOM 136 OE1 GLN 1 10 -2.916 -9.350 -0.228 1.00 0.00 O flip ATOM 137 NE2 GLN 1 10 -1.124 -10.588 -0.800 1.00 0.00 N flip ATOM 0 H GLN 1 10 -5.448 -11.592 3.191 1.00 0.00 H new ATOM 0 HA GLN 1 10 -3.951 -13.500 1.773 1.00 0.00 H new ATOM 0 HB2 GLN 1 10 -5.032 -11.408 0.871 1.00 0.00 H new ATOM 0 HB3 GLN 1 10 -3.743 -10.478 1.610 1.00 0.00 H new ATOM 0 HG2 GLN 1 10 -2.429 -12.568 0.204 1.00 0.00 H new ATOM 0 HG3 GLN 1 10 -3.709 -12.036 -0.868 1.00 0.00 H new ATOM 0 HE21 GLN 1 10 -0.687 -11.504 -0.902 1.00 0.00 H new ATOM 0 HE22 GLN 1 10 -0.603 -9.745 -1.040 1.00 0.00 H new ATOM 146 N CYS 1 11 -2.311 -11.707 3.944 1.00 0.00 N ATOM 147 CA CYS 1 11 -1.039 -11.564 4.632 1.00 0.00 C ATOM 148 C CYS 1 11 -0.682 -12.911 5.264 1.00 0.00 C ATOM 149 O CYS 1 11 0.406 -13.072 5.817 1.00 0.00 O ATOM 150 CB CYS 1 11 -1.081 -10.440 5.670 1.00 0.00 C ATOM 151 SG CYS 1 11 0.451 -10.244 6.650 1.00 0.00 S ATOM 0 H CYS 1 11 -3.078 -11.170 4.349 1.00 0.00 H new ATOM 0 HA CYS 1 11 -0.265 -11.282 3.918 1.00 0.00 H new ATOM 0 HB2 CYS 1 11 -1.292 -9.500 5.159 1.00 0.00 H new ATOM 0 HB3 CYS 1 11 -1.911 -10.625 6.352 1.00 0.00 H new ATOM 156 N ALA 1 12 -1.618 -13.844 5.164 1.00 0.00 N ATOM 157 CA ALA 1 12 -1.414 -15.170 5.719 1.00 0.00 C ATOM 158 C ALA 1 12 -1.155 -16.160 4.581 1.00 0.00 C ATOM 159 O ALA 1 12 -1.157 -17.372 4.795 1.00 0.00 O ATOM 160 CB ALA 1 12 -2.628 -15.561 6.565 1.00 0.00 C ATOM 0 H ALA 1 12 -2.519 -13.707 4.707 1.00 0.00 H new ATOM 0 HA ALA 1 12 -0.542 -15.182 6.373 1.00 0.00 H new ATOM 0 HB1 ALA 1 12 -2.476 -16.556 6.982 1.00 0.00 H new ATOM 0 HB2 ALA 1 12 -2.753 -14.843 7.376 1.00 0.00 H new ATOM 0 HB3 ALA 1 12 -3.521 -15.562 5.941 1.00 0.00 H new ATOM 166 N VAL 1 13 -0.937 -15.607 3.397 1.00 0.00 N ATOM 167 CA VAL 1 13 -0.675 -16.426 2.225 1.00 0.00 C ATOM 168 C VAL 1 13 0.367 -17.489 2.574 1.00 0.00 C ATOM 169 O VAL 1 13 1.049 -17.385 3.593 1.00 0.00 O ATOM 170 CB VAL 1 13 -0.255 -15.540 1.051 1.00 0.00 C ATOM 171 CG1 VAL 1 13 1.218 -15.758 0.699 1.00 0.00 C ATOM 172 CG2 VAL 1 13 -1.151 -15.781 -0.166 1.00 0.00 C ATOM 0 H VAL 1 13 -0.936 -14.602 3.224 1.00 0.00 H new ATOM 0 HA VAL 1 13 -1.580 -16.948 1.914 1.00 0.00 H new ATOM 0 HB VAL 1 13 -0.376 -14.501 1.356 1.00 0.00 H new ATOM 0 HG11 VAL 1 13 1.491 -15.116 -0.139 1.00 0.00 H new ATOM 0 HG12 VAL 1 13 1.838 -15.513 1.561 1.00 0.00 H new ATOM 0 HG13 VAL 1 13 1.376 -16.801 0.423 1.00 0.00 H new ATOM 0 HG21 VAL 1 13 -0.831 -15.139 -0.986 1.00 0.00 H new ATOM 0 HG22 VAL 1 13 -1.076 -16.825 -0.472 1.00 0.00 H new ATOM 0 HG23 VAL 1 13 -2.185 -15.552 0.092 1.00 0.00 H new ATOM 182 N PRO 1 14 0.460 -18.516 1.687 1.00 0.00 N ATOM 183 CA PRO 1 14 1.408 -19.599 1.891 1.00 0.00 C ATOM 184 C PRO 1 14 2.834 -19.146 1.571 1.00 0.00 C ATOM 185 O PRO 1 14 3.673 -19.956 1.179 1.00 0.00 O ATOM 186 CB PRO 1 14 0.924 -20.720 0.988 1.00 0.00 C ATOM 187 CG PRO 1 14 0.002 -20.069 -0.030 1.00 0.00 C ATOM 188 CD PRO 1 14 -0.331 -18.673 0.471 1.00 0.00 C ATOM 0 HA PRO 1 14 1.451 -19.932 2.928 1.00 0.00 H new ATOM 0 HB2 PRO 1 14 1.762 -21.214 0.496 1.00 0.00 H new ATOM 0 HB3 PRO 1 14 0.396 -21.482 1.561 1.00 0.00 H new ATOM 0 HG2 PRO 1 14 0.485 -20.020 -1.006 1.00 0.00 H new ATOM 0 HG3 PRO 1 14 -0.907 -20.658 -0.153 1.00 0.00 H new ATOM 0 HD2 PRO 1 14 -0.074 -17.915 -0.269 1.00 0.00 H new ATOM 0 HD3 PRO 1 14 -1.397 -18.570 0.676 1.00 0.00 H new ATOM 196 N ALA 1 15 3.066 -17.853 1.749 1.00 0.00 N ATOM 197 CA ALA 1 15 4.375 -17.284 1.483 1.00 0.00 C ATOM 198 C ALA 1 15 4.856 -17.743 0.105 1.00 0.00 C ATOM 199 O ALA 1 15 5.872 -18.428 -0.006 1.00 0.00 O ATOM 200 CB ALA 1 15 5.341 -17.683 2.600 1.00 0.00 C ATOM 0 H ALA 1 15 2.368 -17.184 2.074 1.00 0.00 H new ATOM 0 HA ALA 1 15 4.324 -16.195 1.468 1.00 0.00 H new ATOM 0 HB1 ALA 1 15 6.324 -17.256 2.401 1.00 0.00 H new ATOM 0 HB2 ALA 1 15 4.969 -17.308 3.554 1.00 0.00 H new ATOM 0 HB3 ALA 1 15 5.419 -18.769 2.643 1.00 0.00 H new ATOM 206 N LYS 1 16 4.105 -17.345 -0.911 1.00 0.00 N ATOM 207 CA LYS 1 16 4.442 -17.707 -2.278 1.00 0.00 C ATOM 208 C LYS 1 16 3.438 -17.059 -3.234 1.00 0.00 C ATOM 209 O LYS 1 16 3.088 -17.641 -4.260 1.00 0.00 O ATOM 210 CB LYS 1 16 4.535 -19.227 -2.422 1.00 0.00 C ATOM 211 CG LYS 1 16 3.355 -19.917 -1.735 1.00 0.00 C ATOM 212 CD LYS 1 16 2.600 -20.817 -2.715 1.00 0.00 C ATOM 213 CE LYS 1 16 3.032 -22.278 -2.564 1.00 0.00 C ATOM 214 NZ LYS 1 16 1.855 -23.145 -2.336 1.00 0.00 N ATOM 0 H LYS 1 16 3.264 -16.775 -0.816 1.00 0.00 H new ATOM 0 HA LYS 1 16 5.428 -17.324 -2.542 1.00 0.00 H new ATOM 0 HB2 LYS 1 16 4.553 -19.495 -3.478 1.00 0.00 H new ATOM 0 HB3 LYS 1 16 5.470 -19.580 -1.988 1.00 0.00 H new ATOM 0 HG2 LYS 1 16 3.715 -20.510 -0.894 1.00 0.00 H new ATOM 0 HG3 LYS 1 16 2.677 -19.167 -1.328 1.00 0.00 H new ATOM 0 HD2 LYS 1 16 1.528 -20.731 -2.540 1.00 0.00 H new ATOM 0 HD3 LYS 1 16 2.784 -20.483 -3.736 1.00 0.00 H new ATOM 0 HE2 LYS 1 16 3.561 -22.601 -3.460 1.00 0.00 H new ATOM 0 HE3 LYS 1 16 3.728 -22.373 -1.731 1.00 0.00 H new ATOM 0 HZ1 LYS 1 16 2.165 -24.133 -2.236 1.00 0.00 H new ATOM 0 HZ2 LYS 1 16 1.366 -22.846 -1.468 1.00 0.00 H new ATOM 0 HZ3 LYS 1 16 1.205 -23.067 -3.144 1.00 0.00 H new ATOM 228 N ASP 1 17 3.004 -15.863 -2.864 1.00 0.00 N ATOM 229 CA ASP 1 17 2.048 -15.130 -3.677 1.00 0.00 C ATOM 230 C ASP 1 17 2.115 -13.645 -3.319 1.00 0.00 C ATOM 231 O ASP 1 17 1.211 -12.880 -3.655 1.00 0.00 O ATOM 232 CB ASP 1 17 0.620 -15.615 -3.419 1.00 0.00 C ATOM 233 CG ASP 1 17 -0.400 -15.221 -4.489 1.00 0.00 C ATOM 234 OD1 ASP 1 17 0.037 -15.022 -5.644 1.00 0.00 O ATOM 235 OD2 ASP 1 17 -1.593 -15.127 -4.129 1.00 0.00 O ATOM 0 H ASP 1 17 3.297 -15.383 -2.013 1.00 0.00 H new ATOM 0 HA ASP 1 17 2.300 -15.293 -4.725 1.00 0.00 H new ATOM 0 HB2 ASP 1 17 0.632 -16.701 -3.332 1.00 0.00 H new ATOM 0 HB3 ASP 1 17 0.287 -15.222 -2.459 1.00 0.00 H new ATOM 240 N ARG 1 18 3.194 -13.279 -2.642 1.00 0.00 N ATOM 241 CA ARG 1 18 3.389 -11.898 -2.234 1.00 0.00 C ATOM 242 C ARG 1 18 4.161 -11.133 -3.311 1.00 0.00 C ATOM 243 O ARG 1 18 4.669 -11.729 -4.260 1.00 0.00 O ATOM 244 CB ARG 1 18 4.156 -11.818 -0.913 1.00 0.00 C ATOM 245 CG ARG 1 18 3.507 -12.703 0.151 1.00 0.00 C ATOM 246 CD ARG 1 18 4.567 -13.360 1.040 1.00 0.00 C ATOM 247 NE ARG 1 18 3.930 -13.949 2.238 1.00 0.00 N ATOM 248 CZ ARG 1 18 4.585 -14.247 3.368 1.00 0.00 C ATOM 249 NH1 ARG 1 18 5.901 -14.012 3.461 1.00 0.00 N ATOM 250 NH2 ARG 1 18 3.924 -14.780 4.405 1.00 0.00 N ATOM 0 H ARG 1 18 3.942 -13.915 -2.366 1.00 0.00 H new ATOM 0 HA ARG 1 18 2.405 -11.449 -2.097 1.00 0.00 H new ATOM 0 HB2 ARG 1 18 5.189 -12.128 -1.069 1.00 0.00 H new ATOM 0 HB3 ARG 1 18 4.182 -10.785 -0.566 1.00 0.00 H new ATOM 0 HG2 ARG 1 18 2.833 -12.105 0.764 1.00 0.00 H new ATOM 0 HG3 ARG 1 18 2.903 -13.472 -0.330 1.00 0.00 H new ATOM 0 HD2 ARG 1 18 5.093 -14.133 0.481 1.00 0.00 H new ATOM 0 HD3 ARG 1 18 5.310 -12.621 1.340 1.00 0.00 H new ATOM 0 HE ARG 1 18 2.929 -14.140 2.201 1.00 0.00 H new ATOM 0 HH11 ARG 1 18 6.404 -13.606 2.672 1.00 0.00 H new ATOM 0 HH12 ARG 1 18 6.400 -14.239 4.321 1.00 0.00 H new ATOM 0 HH21 ARG 1 18 2.922 -14.959 4.334 1.00 0.00 H new ATOM 0 HH22 ARG 1 18 4.423 -15.007 5.265 1.00 0.00 H new ATOM 264 N VAL 1 19 4.224 -9.822 -3.129 1.00 0.00 N ATOM 265 CA VAL 1 19 4.925 -8.968 -4.073 1.00 0.00 C ATOM 266 C VAL 1 19 6.314 -8.639 -3.523 1.00 0.00 C ATOM 267 O VAL 1 19 6.950 -7.682 -3.963 1.00 0.00 O ATOM 268 CB VAL 1 19 4.090 -7.721 -4.371 1.00 0.00 C ATOM 269 CG1 VAL 1 19 4.820 -6.790 -5.342 1.00 0.00 C ATOM 270 CG2 VAL 1 19 2.710 -8.103 -4.912 1.00 0.00 C ATOM 0 H VAL 1 19 3.801 -9.330 -2.342 1.00 0.00 H new ATOM 0 HA VAL 1 19 5.065 -9.484 -5.023 1.00 0.00 H new ATOM 0 HB VAL 1 19 3.947 -7.182 -3.434 1.00 0.00 H new ATOM 0 HG11 VAL 1 19 4.204 -5.912 -5.537 1.00 0.00 H new ATOM 0 HG12 VAL 1 19 5.768 -6.478 -4.904 1.00 0.00 H new ATOM 0 HG13 VAL 1 19 5.008 -7.316 -6.278 1.00 0.00 H new ATOM 0 HG21 VAL 1 19 2.136 -7.199 -5.116 1.00 0.00 H new ATOM 0 HG22 VAL 1 19 2.826 -8.675 -5.833 1.00 0.00 H new ATOM 0 HG23 VAL 1 19 2.184 -8.708 -4.173 1.00 0.00 H new ATOM 280 N ASP 1 20 6.745 -9.450 -2.567 1.00 0.00 N ATOM 281 CA ASP 1 20 8.047 -9.257 -1.952 1.00 0.00 C ATOM 282 C ASP 1 20 8.381 -7.764 -1.933 1.00 0.00 C ATOM 283 O ASP 1 20 9.010 -7.253 -2.859 1.00 0.00 O ATOM 284 CB ASP 1 20 9.142 -9.976 -2.742 1.00 0.00 C ATOM 285 CG ASP 1 20 10.543 -9.378 -2.598 1.00 0.00 C ATOM 286 OD1 ASP 1 20 11.197 -9.705 -1.585 1.00 0.00 O ATOM 287 OD2 ASP 1 20 10.926 -8.607 -3.505 1.00 0.00 O ATOM 0 H ASP 1 20 6.215 -10.242 -2.204 1.00 0.00 H new ATOM 0 HA ASP 1 20 8.006 -9.663 -0.941 1.00 0.00 H new ATOM 0 HB2 ASP 1 20 9.174 -11.018 -2.424 1.00 0.00 H new ATOM 0 HB3 ASP 1 20 8.869 -9.973 -3.797 1.00 0.00 H new ATOM 292 N CYS 1 21 7.945 -7.106 -0.869 1.00 0.00 N ATOM 293 CA CYS 1 21 8.189 -5.682 -0.717 1.00 0.00 C ATOM 294 C CYS 1 21 9.689 -5.431 -0.893 1.00 0.00 C ATOM 295 O CYS 1 21 10.091 -4.393 -1.418 1.00 0.00 O ATOM 296 CB CYS 1 21 7.677 -5.159 0.626 1.00 0.00 C ATOM 297 SG CYS 1 21 6.666 -3.637 0.522 1.00 0.00 S ATOM 0 H CYS 1 21 7.424 -7.533 -0.103 1.00 0.00 H new ATOM 0 HA CYS 1 21 7.637 -5.133 -1.479 1.00 0.00 H new ATOM 0 HB2 CYS 1 21 7.084 -5.940 1.102 1.00 0.00 H new ATOM 0 HB3 CYS 1 21 8.532 -4.967 1.275 1.00 0.00 H new ATOM 302 N GLY 1 22 10.474 -6.398 -0.443 1.00 0.00 N ATOM 303 CA GLY 1 22 11.921 -6.295 -0.544 1.00 0.00 C ATOM 304 C GLY 1 22 12.392 -4.873 -0.234 1.00 0.00 C ATOM 305 O GLY 1 22 13.005 -4.221 -1.078 1.00 0.00 O ATOM 0 H GLY 1 22 10.137 -7.256 -0.008 1.00 0.00 H new ATOM 0 HA2 GLY 1 22 12.388 -6.996 0.148 1.00 0.00 H new ATOM 0 HA3 GLY 1 22 12.240 -6.577 -1.547 1.00 0.00 H new ATOM 309 N TYR 1 23 12.088 -4.433 0.978 1.00 0.00 N ATOM 310 CA TYR 1 23 12.473 -3.101 1.410 1.00 0.00 C ATOM 311 C TYR 1 23 13.831 -3.122 2.113 1.00 0.00 C ATOM 312 O TYR 1 23 14.249 -4.157 2.631 1.00 0.00 O ATOM 313 CB TYR 1 23 11.402 -2.655 2.408 1.00 0.00 C ATOM 314 CG TYR 1 23 10.426 -1.616 1.852 1.00 0.00 C ATOM 315 CD1 TYR 1 23 9.390 -2.011 1.031 1.00 0.00 C ATOM 316 CD2 TYR 1 23 10.582 -0.282 2.171 1.00 0.00 C ATOM 317 CE1 TYR 1 23 8.471 -1.033 0.507 1.00 0.00 C ATOM 318 CE2 TYR 1 23 9.664 0.696 1.648 1.00 0.00 C ATOM 319 CZ TYR 1 23 8.655 0.272 0.842 1.00 0.00 C ATOM 320 OH TYR 1 23 7.787 1.195 0.348 1.00 0.00 O ATOM 0 H TYR 1 23 11.579 -4.976 1.675 1.00 0.00 H new ATOM 0 HA TYR 1 23 12.554 -2.430 0.555 1.00 0.00 H new ATOM 0 HB2 TYR 1 23 10.839 -3.529 2.735 1.00 0.00 H new ATOM 0 HB3 TYR 1 23 11.892 -2.243 3.290 1.00 0.00 H new ATOM 0 HD1 TYR 1 23 9.268 -3.054 0.781 1.00 0.00 H new ATOM 0 HD2 TYR 1 23 11.393 0.028 2.813 1.00 0.00 H new ATOM 0 HE1 TYR 1 23 7.656 -1.329 -0.136 1.00 0.00 H new ATOM 0 HE2 TYR 1 23 9.775 1.743 1.891 1.00 0.00 H new ATOM 0 HH TYR 1 23 7.706 1.939 0.981 1.00 0.00 H new ATOM 330 N PRO 1 24 14.500 -1.939 2.108 1.00 0.00 N ATOM 331 CA PRO 1 24 15.802 -1.813 2.740 1.00 0.00 C ATOM 332 C PRO 1 24 15.672 -1.772 4.263 1.00 0.00 C ATOM 333 O PRO 1 24 16.646 -1.998 4.979 1.00 0.00 O ATOM 334 CB PRO 1 24 16.399 -0.540 2.161 1.00 0.00 C ATOM 335 CG PRO 1 24 15.229 0.243 1.585 1.00 0.00 C ATOM 336 CD PRO 1 24 14.035 -0.693 1.504 1.00 0.00 C ATOM 0 HA PRO 1 24 16.449 -2.667 2.542 1.00 0.00 H new ATOM 0 HB2 PRO 1 24 16.913 0.036 2.931 1.00 0.00 H new ATOM 0 HB3 PRO 1 24 17.134 -0.769 1.389 1.00 0.00 H new ATOM 0 HG2 PRO 1 24 14.998 1.102 2.215 1.00 0.00 H new ATOM 0 HG3 PRO 1 24 15.478 0.630 0.597 1.00 0.00 H new ATOM 0 HD2 PRO 1 24 13.177 -0.288 2.041 1.00 0.00 H new ATOM 0 HD3 PRO 1 24 13.721 -0.846 0.471 1.00 0.00 H new ATOM 344 N HIS 1 25 14.460 -1.483 4.715 1.00 0.00 N ATOM 345 CA HIS 1 25 14.189 -1.411 6.140 1.00 0.00 C ATOM 346 C HIS 1 25 13.315 -2.595 6.557 1.00 0.00 C ATOM 347 O HIS 1 25 12.815 -2.637 7.681 1.00 0.00 O ATOM 348 CB HIS 1 25 13.572 -0.060 6.508 1.00 0.00 C ATOM 349 CG HIS 1 25 14.564 0.940 7.052 1.00 0.00 C ATOM 350 ND1 HIS 1 25 14.275 2.288 7.182 1.00 0.00 N ATOM 351 CD2 HIS 1 25 15.842 0.776 7.498 1.00 0.00 C ATOM 352 CE1 HIS 1 25 15.339 2.897 7.684 1.00 0.00 C ATOM 353 NE2 HIS 1 25 16.309 1.958 7.879 1.00 0.00 N ATOM 0 H HIS 1 25 13.654 -1.296 4.118 1.00 0.00 H new ATOM 0 HA HIS 1 25 15.124 -1.481 6.695 1.00 0.00 H new ATOM 0 HB2 HIS 1 25 13.093 0.362 5.624 1.00 0.00 H new ATOM 0 HB3 HIS 1 25 12.789 -0.220 7.249 1.00 0.00 H new ATOM 0 HD2 HIS 1 25 16.383 -0.158 7.535 1.00 0.00 H new ATOM 0 HE1 HIS 1 25 15.424 3.952 7.901 1.00 0.00 H new ATOM 0 HE2 HIS 1 25 17.240 2.135 8.256 1.00 0.00 H new ATOM 362 N VAL 1 26 13.156 -3.527 5.630 1.00 0.00 N ATOM 363 CA VAL 1 26 12.351 -4.709 5.887 1.00 0.00 C ATOM 364 C VAL 1 26 12.575 -5.170 7.329 1.00 0.00 C ATOM 365 O VAL 1 26 13.676 -5.586 7.688 1.00 0.00 O ATOM 366 CB VAL 1 26 12.669 -5.795 4.857 1.00 0.00 C ATOM 367 CG1 VAL 1 26 14.180 -5.952 4.675 1.00 0.00 C ATOM 368 CG2 VAL 1 26 12.022 -7.125 5.244 1.00 0.00 C ATOM 0 H VAL 1 26 13.571 -3.488 4.699 1.00 0.00 H new ATOM 0 HA VAL 1 26 11.291 -4.479 5.779 1.00 0.00 H new ATOM 0 HB VAL 1 26 12.247 -5.484 3.901 1.00 0.00 H new ATOM 0 HG11 VAL 1 26 14.379 -6.730 3.938 1.00 0.00 H new ATOM 0 HG12 VAL 1 26 14.605 -5.009 4.331 1.00 0.00 H new ATOM 0 HG13 VAL 1 26 14.634 -6.229 5.626 1.00 0.00 H new ATOM 0 HG21 VAL 1 26 12.264 -7.879 4.495 1.00 0.00 H new ATOM 0 HG22 VAL 1 26 12.400 -7.444 6.215 1.00 0.00 H new ATOM 0 HG23 VAL 1 26 10.940 -7.001 5.298 1.00 0.00 H new ATOM 378 N THR 1 27 11.514 -5.081 8.117 1.00 0.00 N ATOM 379 CA THR 1 27 11.581 -5.483 9.512 1.00 0.00 C ATOM 380 C THR 1 27 10.175 -5.594 10.103 1.00 0.00 C ATOM 381 O THR 1 27 9.241 -4.956 9.618 1.00 0.00 O ATOM 382 CB THR 1 27 12.473 -4.484 10.250 1.00 0.00 C ATOM 383 OG1 THR 1 27 13.448 -5.299 10.895 1.00 0.00 O ATOM 384 CG2 THR 1 27 11.747 -3.790 11.404 1.00 0.00 C ATOM 0 H THR 1 27 10.602 -4.736 7.816 1.00 0.00 H new ATOM 0 HA THR 1 27 12.023 -6.474 9.617 1.00 0.00 H new ATOM 0 HB THR 1 27 12.836 -3.735 9.547 1.00 0.00 H new ATOM 0 HG1 THR 1 27 14.070 -4.731 11.396 1.00 0.00 H new ATOM 0 HG21 THR 1 27 12.426 -3.092 11.893 1.00 0.00 H new ATOM 0 HG22 THR 1 27 10.885 -3.247 11.017 1.00 0.00 H new ATOM 0 HG23 THR 1 27 11.412 -4.536 12.125 1.00 0.00 H new ATOM 392 N PRO 1 28 10.063 -6.430 11.170 1.00 0.00 N ATOM 393 CA PRO 1 28 8.786 -6.632 11.834 1.00 0.00 C ATOM 394 C PRO 1 28 8.419 -5.424 12.698 1.00 0.00 C ATOM 395 O PRO 1 28 8.167 -5.565 13.893 1.00 0.00 O ATOM 396 CB PRO 1 28 8.960 -7.909 12.640 1.00 0.00 C ATOM 397 CG PRO 1 28 10.460 -8.119 12.769 1.00 0.00 C ATOM 398 CD PRO 1 28 11.147 -7.201 11.772 1.00 0.00 C ATOM 0 HA PRO 1 28 7.958 -6.729 11.132 1.00 0.00 H new ATOM 0 HB2 PRO 1 28 8.492 -7.819 13.621 1.00 0.00 H new ATOM 0 HB3 PRO 1 28 8.489 -8.755 12.139 1.00 0.00 H new ATOM 0 HG2 PRO 1 28 10.791 -7.896 13.783 1.00 0.00 H new ATOM 0 HG3 PRO 1 28 10.718 -9.159 12.571 1.00 0.00 H new ATOM 0 HD2 PRO 1 28 11.869 -6.550 12.265 1.00 0.00 H new ATOM 0 HD3 PRO 1 28 11.693 -7.771 11.020 1.00 0.00 H new ATOM 406 N LYS 1 29 8.403 -4.264 12.059 1.00 0.00 N ATOM 407 CA LYS 1 29 8.071 -3.031 12.754 1.00 0.00 C ATOM 408 C LYS 1 29 8.139 -1.862 11.771 1.00 0.00 C ATOM 409 O LYS 1 29 7.493 -0.835 11.975 1.00 0.00 O ATOM 410 CB LYS 1 29 8.964 -2.853 13.984 1.00 0.00 C ATOM 411 CG LYS 1 29 8.350 -1.853 14.966 1.00 0.00 C ATOM 412 CD LYS 1 29 8.092 -2.508 16.325 1.00 0.00 C ATOM 413 CE LYS 1 29 6.617 -2.887 16.480 1.00 0.00 C ATOM 414 NZ LYS 1 29 6.175 -2.685 17.877 1.00 0.00 N ATOM 0 H LYS 1 29 8.614 -4.151 11.068 1.00 0.00 H new ATOM 0 HA LYS 1 29 7.050 -3.070 13.132 1.00 0.00 H new ATOM 0 HB2 LYS 1 29 9.104 -3.814 14.478 1.00 0.00 H new ATOM 0 HB3 LYS 1 29 9.950 -2.506 13.675 1.00 0.00 H new ATOM 0 HG2 LYS 1 29 9.019 -1.002 15.090 1.00 0.00 H new ATOM 0 HG3 LYS 1 29 7.415 -1.467 14.561 1.00 0.00 H new ATOM 0 HD2 LYS 1 29 8.713 -3.398 16.427 1.00 0.00 H new ATOM 0 HD3 LYS 1 29 8.381 -1.824 17.123 1.00 0.00 H new ATOM 0 HE2 LYS 1 29 6.007 -2.282 15.808 1.00 0.00 H new ATOM 0 HE3 LYS 1 29 6.471 -3.928 16.193 1.00 0.00 H new ATOM 0 HZ1 LYS 1 29 5.172 -2.947 17.965 1.00 0.00 H new ATOM 0 HZ2 LYS 1 29 6.745 -3.280 18.511 1.00 0.00 H new ATOM 0 HZ3 LYS 1 29 6.296 -1.686 18.138 1.00 0.00 H new ATOM 428 N GLU 1 30 8.928 -2.055 10.724 1.00 0.00 N ATOM 429 CA GLU 1 30 9.089 -1.029 9.707 1.00 0.00 C ATOM 430 C GLU 1 30 8.162 -1.306 8.522 1.00 0.00 C ATOM 431 O GLU 1 30 7.565 -0.385 7.968 1.00 0.00 O ATOM 432 CB GLU 1 30 10.547 -0.930 9.254 1.00 0.00 C ATOM 433 CG GLU 1 30 11.178 0.382 9.721 1.00 0.00 C ATOM 434 CD GLU 1 30 12.701 0.259 9.804 1.00 0.00 C ATOM 435 OE1 GLU 1 30 13.162 -0.849 10.156 1.00 0.00 O ATOM 436 OE2 GLU 1 30 13.370 1.274 9.512 1.00 0.00 O ATOM 0 H GLU 1 30 9.463 -2.907 10.558 1.00 0.00 H new ATOM 0 HA GLU 1 30 8.813 -0.068 10.141 1.00 0.00 H new ATOM 0 HB2 GLU 1 30 11.113 -1.772 9.652 1.00 0.00 H new ATOM 0 HB3 GLU 1 30 10.599 -0.996 8.167 1.00 0.00 H new ATOM 0 HG2 GLU 1 30 10.911 1.183 9.032 1.00 0.00 H new ATOM 0 HG3 GLU 1 30 10.778 0.655 10.697 1.00 0.00 H new ATOM 443 N CYS 1 31 8.072 -2.579 8.168 1.00 0.00 N ATOM 444 CA CYS 1 31 7.228 -2.989 7.059 1.00 0.00 C ATOM 445 C CYS 1 31 5.782 -2.617 7.391 1.00 0.00 C ATOM 446 O CYS 1 31 5.120 -1.928 6.616 1.00 0.00 O ATOM 447 CB CYS 1 31 7.378 -4.481 6.755 1.00 0.00 C ATOM 448 SG CYS 1 31 8.953 -4.945 5.945 1.00 0.00 S ATOM 0 H CYS 1 31 8.570 -3.340 8.630 1.00 0.00 H new ATOM 0 HA CYS 1 31 7.537 -2.468 6.153 1.00 0.00 H new ATOM 0 HB2 CYS 1 31 7.287 -5.038 7.687 1.00 0.00 H new ATOM 0 HB3 CYS 1 31 6.552 -4.792 6.116 1.00 0.00 H new ATOM 453 N ASN 1 32 5.333 -3.090 8.545 1.00 0.00 N ATOM 454 CA ASN 1 32 3.978 -2.816 8.990 1.00 0.00 C ATOM 455 C ASN 1 32 3.860 -1.341 9.375 1.00 0.00 C ATOM 456 O ASN 1 32 2.816 -0.901 9.853 1.00 0.00 O ATOM 457 CB ASN 1 32 3.621 -3.655 10.219 1.00 0.00 C ATOM 458 CG ASN 1 32 2.922 -4.953 9.813 1.00 0.00 C ATOM 459 OD1 ASN 1 32 3.684 -5.780 9.102 1.00 0.00 O flip ATOM 460 ND2 ASN 1 32 1.765 -5.189 10.124 1.00 0.00 N flip ATOM 0 H ASN 1 32 5.885 -3.661 9.185 1.00 0.00 H new ATOM 0 HA ASN 1 32 3.299 -3.064 8.174 1.00 0.00 H new ATOM 0 HB2 ASN 1 32 4.526 -3.886 10.781 1.00 0.00 H new ATOM 0 HB3 ASN 1 32 2.973 -3.080 10.880 1.00 0.00 H new ATOM 0 HD21 ASN 1 32 1.236 -4.511 10.672 1.00 0.00 H new ATOM 0 HD22 ASN 1 32 1.328 -6.065 9.836 1.00 0.00 H new ATOM 467 N ASN 1 33 4.947 -0.615 9.151 1.00 0.00 N ATOM 468 CA ASN 1 33 4.979 0.802 9.468 1.00 0.00 C ATOM 469 C ASN 1 33 4.939 1.612 8.171 1.00 0.00 C ATOM 470 O ASN 1 33 4.389 2.711 8.138 1.00 0.00 O ATOM 471 CB ASN 1 33 6.261 1.171 10.215 1.00 0.00 C ATOM 472 CG ASN 1 33 6.373 2.685 10.399 1.00 0.00 C ATOM 473 OD1 ASN 1 33 5.420 3.429 10.235 1.00 0.00 O ATOM 474 ND2 ASN 1 33 7.588 3.100 10.749 1.00 0.00 N ATOM 0 H ASN 1 33 5.812 -0.983 8.754 1.00 0.00 H new ATOM 0 HA ASN 1 33 4.118 1.025 10.098 1.00 0.00 H new ATOM 0 HB2 ASN 1 33 6.272 0.681 11.189 1.00 0.00 H new ATOM 0 HB3 ASN 1 33 7.126 0.803 9.663 1.00 0.00 H new ATOM 0 HD21 ASN 1 33 7.765 4.094 10.896 1.00 0.00 H new ATOM 0 HD22 ASN 1 33 8.343 2.424 10.870 1.00 0.00 H new ATOM 481 N ARG 1 34 5.528 1.036 7.133 1.00 0.00 N ATOM 482 CA ARG 1 34 5.567 1.691 5.836 1.00 0.00 C ATOM 483 C ARG 1 34 4.324 1.327 5.021 1.00 0.00 C ATOM 484 O ARG 1 34 3.830 2.139 4.241 1.00 0.00 O ATOM 485 CB ARG 1 34 6.818 1.287 5.053 1.00 0.00 C ATOM 486 CG ARG 1 34 6.943 -0.235 4.965 1.00 0.00 C ATOM 487 CD ARG 1 34 7.624 -0.654 3.661 1.00 0.00 C ATOM 488 NE ARG 1 34 8.609 -1.727 3.927 1.00 0.00 N ATOM 489 CZ ARG 1 34 9.651 -1.601 4.759 1.00 0.00 C ATOM 490 NH1 ARG 1 34 9.852 -0.448 5.412 1.00 0.00 N ATOM 491 NH2 ARG 1 34 10.493 -2.627 4.939 1.00 0.00 N ATOM 0 H ARG 1 34 5.982 0.123 7.164 1.00 0.00 H new ATOM 0 HA ARG 1 34 5.591 2.767 6.008 1.00 0.00 H new ATOM 0 HB2 ARG 1 34 6.776 1.710 4.049 1.00 0.00 H new ATOM 0 HB3 ARG 1 34 7.703 1.701 5.536 1.00 0.00 H new ATOM 0 HG2 ARG 1 34 7.516 -0.606 5.815 1.00 0.00 H new ATOM 0 HG3 ARG 1 34 5.954 -0.689 5.025 1.00 0.00 H new ATOM 0 HD2 ARG 1 34 6.878 -1.003 2.947 1.00 0.00 H new ATOM 0 HD3 ARG 1 34 8.122 0.204 3.209 1.00 0.00 H new ATOM 0 HE ARG 1 34 8.486 -2.618 3.446 1.00 0.00 H new ATOM 0 HH11 ARG 1 34 9.211 0.334 5.275 1.00 0.00 H new ATOM 0 HH12 ARG 1 34 10.646 -0.352 6.046 1.00 0.00 H new ATOM 0 HH21 ARG 1 34 10.341 -3.505 4.442 1.00 0.00 H new ATOM 0 HH22 ARG 1 34 11.286 -2.530 5.573 1.00 0.00 H new ATOM 505 N GLY 1 35 3.855 0.106 5.229 1.00 0.00 N ATOM 506 CA GLY 1 35 2.679 -0.375 4.524 1.00 0.00 C ATOM 507 C GLY 1 35 2.908 -1.784 3.973 1.00 0.00 C ATOM 508 O GLY 1 35 2.261 -2.191 3.011 1.00 0.00 O ATOM 0 H GLY 1 35 4.268 -0.565 5.876 1.00 0.00 H new ATOM 0 HA2 GLY 1 35 1.823 -0.379 5.198 1.00 0.00 H new ATOM 0 HA3 GLY 1 35 2.438 0.304 3.706 1.00 0.00 H new ATOM 512 N CYS 1 36 3.833 -2.490 4.609 1.00 0.00 N ATOM 513 CA CYS 1 36 4.156 -3.845 4.195 1.00 0.00 C ATOM 514 C CYS 1 36 3.798 -4.795 5.339 1.00 0.00 C ATOM 515 O CYS 1 36 3.554 -4.356 6.462 1.00 0.00 O ATOM 516 CB CYS 1 36 5.624 -3.975 3.781 1.00 0.00 C ATOM 517 SG CYS 1 36 6.035 -3.229 2.162 1.00 0.00 S ATOM 0 H CYS 1 36 4.368 -2.149 5.407 1.00 0.00 H new ATOM 0 HA CYS 1 36 3.574 -4.107 3.312 1.00 0.00 H new ATOM 0 HB2 CYS 1 36 6.245 -3.511 4.547 1.00 0.00 H new ATOM 0 HB3 CYS 1 36 5.887 -5.032 3.755 1.00 0.00 H new ATOM 522 N CYS 1 37 3.779 -6.080 5.014 1.00 0.00 N ATOM 523 CA CYS 1 37 3.455 -7.096 6.001 1.00 0.00 C ATOM 524 C CYS 1 37 4.683 -7.987 6.194 1.00 0.00 C ATOM 525 O CYS 1 37 5.190 -8.568 5.236 1.00 0.00 O ATOM 526 CB CYS 1 37 2.220 -7.904 5.596 1.00 0.00 C ATOM 527 SG CYS 1 37 1.241 -8.563 6.994 1.00 0.00 S ATOM 0 H CYS 1 37 3.983 -6.440 4.082 1.00 0.00 H new ATOM 0 HA CYS 1 37 3.201 -6.620 6.948 1.00 0.00 H new ATOM 0 HB2 CYS 1 37 1.575 -7.273 4.985 1.00 0.00 H new ATOM 0 HB3 CYS 1 37 2.538 -8.737 4.969 1.00 0.00 H new ATOM 532 N PHE 1 38 5.127 -8.067 7.440 1.00 0.00 N ATOM 533 CA PHE 1 38 6.286 -8.878 7.771 1.00 0.00 C ATOM 534 C PHE 1 38 5.867 -10.284 8.204 1.00 0.00 C ATOM 535 O PHE 1 38 5.117 -10.443 9.167 1.00 0.00 O ATOM 536 CB PHE 1 38 6.996 -8.188 8.938 1.00 0.00 C ATOM 537 CG PHE 1 38 8.408 -8.711 9.204 1.00 0.00 C ATOM 538 CD1 PHE 1 38 8.598 -9.752 10.060 1.00 0.00 C ATOM 539 CD2 PHE 1 38 9.475 -8.137 8.586 1.00 0.00 C ATOM 540 CE1 PHE 1 38 9.909 -10.239 10.307 1.00 0.00 C ATOM 541 CE2 PHE 1 38 10.786 -8.624 8.833 1.00 0.00 C ATOM 542 CZ PHE 1 38 10.975 -9.664 9.689 1.00 0.00 C ATOM 0 H PHE 1 38 4.705 -7.583 8.232 1.00 0.00 H new ATOM 0 HA PHE 1 38 6.934 -8.974 6.900 1.00 0.00 H new ATOM 0 HB2 PHE 1 38 7.048 -7.118 8.737 1.00 0.00 H new ATOM 0 HB3 PHE 1 38 6.397 -8.314 9.840 1.00 0.00 H new ATOM 0 HD1 PHE 1 38 7.751 -10.208 10.552 1.00 0.00 H new ATOM 0 HD2 PHE 1 38 9.325 -7.310 7.907 1.00 0.00 H new ATOM 0 HE1 PHE 1 38 10.059 -11.066 10.985 1.00 0.00 H new ATOM 0 HE2 PHE 1 38 11.633 -8.169 8.341 1.00 0.00 H new ATOM 0 HZ PHE 1 38 11.972 -10.033 9.878 1.00 0.00 H new ATOM 552 N ASP 1 39 6.368 -11.268 7.473 1.00 0.00 N ATOM 553 CA ASP 1 39 6.054 -12.655 7.769 1.00 0.00 C ATOM 554 C ASP 1 39 7.037 -13.183 8.817 1.00 0.00 C ATOM 555 O ASP 1 39 6.726 -13.211 10.006 1.00 0.00 O ATOM 556 CB ASP 1 39 6.181 -13.529 6.520 1.00 0.00 C ATOM 557 CG ASP 1 39 6.089 -15.035 6.770 1.00 0.00 C ATOM 558 OD1 ASP 1 39 4.985 -15.480 7.152 1.00 0.00 O ATOM 559 OD2 ASP 1 39 7.124 -15.707 6.576 1.00 0.00 O ATOM 0 H ASP 1 39 6.990 -11.132 6.676 1.00 0.00 H new ATOM 0 HA ASP 1 39 5.028 -12.697 8.135 1.00 0.00 H new ATOM 0 HB2 ASP 1 39 5.399 -13.245 5.816 1.00 0.00 H new ATOM 0 HB3 ASP 1 39 7.136 -13.314 6.040 1.00 0.00 H new ATOM 564 N SER 1 40 8.204 -13.588 8.337 1.00 0.00 N ATOM 565 CA SER 1 40 9.233 -14.113 9.217 1.00 0.00 C ATOM 566 C SER 1 40 9.044 -15.619 9.405 1.00 0.00 C ATOM 567 O SER 1 40 9.957 -16.313 9.848 1.00 0.00 O ATOM 568 CB SER 1 40 9.215 -13.402 10.571 1.00 0.00 C ATOM 569 OG SER 1 40 10.528 -13.214 11.093 1.00 0.00 O ATOM 0 H SER 1 40 8.459 -13.563 7.350 1.00 0.00 H new ATOM 0 HA SER 1 40 10.203 -13.931 8.755 1.00 0.00 H new ATOM 0 HB2 SER 1 40 8.725 -12.434 10.466 1.00 0.00 H new ATOM 0 HB3 SER 1 40 8.624 -13.984 11.278 1.00 0.00 H new ATOM 0 HG SER 1 40 11.041 -14.043 10.994 1.00 0.00 H new ATOM 575 N ARG 1 41 7.851 -16.081 9.057 1.00 0.00 N ATOM 576 CA ARG 1 41 7.529 -17.492 9.182 1.00 0.00 C ATOM 577 C ARG 1 41 8.429 -18.325 8.267 1.00 0.00 C ATOM 578 O ARG 1 41 8.926 -19.376 8.669 1.00 0.00 O ATOM 579 CB ARG 1 41 6.065 -17.757 8.825 1.00 0.00 C ATOM 580 CG ARG 1 41 5.126 -16.972 9.742 1.00 0.00 C ATOM 581 CD ARG 1 41 3.834 -17.750 10.001 1.00 0.00 C ATOM 582 NE ARG 1 41 4.132 -18.992 10.748 1.00 0.00 N ATOM 583 CZ ARG 1 41 3.197 -19.824 11.226 1.00 0.00 C ATOM 584 NH1 ARG 1 41 1.898 -19.553 11.035 1.00 0.00 N ATOM 585 NH2 ARG 1 41 3.560 -20.928 11.893 1.00 0.00 N ATOM 0 H ARG 1 41 7.096 -15.502 8.689 1.00 0.00 H new ATOM 0 HA ARG 1 41 7.695 -17.779 10.220 1.00 0.00 H new ATOM 0 HB2 ARG 1 41 5.884 -17.477 7.787 1.00 0.00 H new ATOM 0 HB3 ARG 1 41 5.854 -18.823 8.909 1.00 0.00 H new ATOM 0 HG2 ARG 1 41 5.626 -16.765 10.688 1.00 0.00 H new ATOM 0 HG3 ARG 1 41 4.890 -16.009 9.289 1.00 0.00 H new ATOM 0 HD2 ARG 1 41 3.136 -17.134 10.568 1.00 0.00 H new ATOM 0 HD3 ARG 1 41 3.350 -17.992 9.055 1.00 0.00 H new ATOM 0 HE ARG 1 41 5.111 -19.230 10.909 1.00 0.00 H new ATOM 0 HH11 ARG 1 41 1.622 -18.713 10.526 1.00 0.00 H new ATOM 0 HH12 ARG 1 41 1.186 -20.186 11.399 1.00 0.00 H new ATOM 0 HH21 ARG 1 41 4.548 -21.135 12.037 1.00 0.00 H new ATOM 0 HH22 ARG 1 41 2.848 -21.561 12.257 1.00 0.00 H new ATOM 599 N ILE 1 42 8.611 -17.823 7.054 1.00 0.00 N ATOM 600 CA ILE 1 42 9.442 -18.509 6.079 1.00 0.00 C ATOM 601 C ILE 1 42 10.575 -17.578 5.637 1.00 0.00 C ATOM 602 O ILE 1 42 10.332 -16.573 4.971 1.00 0.00 O ATOM 603 CB ILE 1 42 8.590 -19.032 4.921 1.00 0.00 C ATOM 604 CG1 ILE 1 42 7.152 -19.291 5.373 1.00 0.00 C ATOM 605 CG2 ILE 1 42 9.225 -20.272 4.289 1.00 0.00 C ATOM 606 CD1 ILE 1 42 6.359 -20.024 4.288 1.00 0.00 C ATOM 0 H ILE 1 42 8.198 -16.951 6.725 1.00 0.00 H new ATOM 0 HA ILE 1 42 9.906 -19.389 6.525 1.00 0.00 H new ATOM 0 HB ILE 1 42 8.552 -18.263 4.150 1.00 0.00 H new ATOM 0 HG12 ILE 1 42 7.156 -19.883 6.288 1.00 0.00 H new ATOM 0 HG13 ILE 1 42 6.665 -18.345 5.608 1.00 0.00 H new ATOM 0 HG21 ILE 1 42 8.599 -20.623 3.469 1.00 0.00 H new ATOM 0 HG22 ILE 1 42 10.215 -20.020 3.908 1.00 0.00 H new ATOM 0 HG23 ILE 1 42 9.314 -21.058 5.039 1.00 0.00 H new ATOM 0 HD11 ILE 1 42 5.340 -20.196 4.635 1.00 0.00 H new ATOM 0 HD12 ILE 1 42 6.336 -19.418 3.382 1.00 0.00 H new ATOM 0 HD13 ILE 1 42 6.835 -20.981 4.073 1.00 0.00 H new ATOM 618 N PRO 1 43 11.818 -17.958 6.037 1.00 0.00 N ATOM 619 CA PRO 1 43 12.988 -17.169 5.689 1.00 0.00 C ATOM 620 C PRO 1 43 13.364 -17.363 4.219 1.00 0.00 C ATOM 621 O PRO 1 43 14.279 -16.713 3.717 1.00 0.00 O ATOM 622 CB PRO 1 43 14.074 -17.634 6.646 1.00 0.00 C ATOM 623 CG PRO 1 43 13.612 -18.981 7.177 1.00 0.00 C ATOM 624 CD PRO 1 43 12.141 -19.142 6.826 1.00 0.00 C ATOM 0 HA PRO 1 43 12.818 -16.097 5.790 1.00 0.00 H new ATOM 0 HB2 PRO 1 43 15.033 -17.723 6.135 1.00 0.00 H new ATOM 0 HB3 PRO 1 43 14.211 -16.920 7.458 1.00 0.00 H new ATOM 0 HG2 PRO 1 43 14.200 -19.787 6.737 1.00 0.00 H new ATOM 0 HG3 PRO 1 43 13.755 -19.035 8.256 1.00 0.00 H new ATOM 0 HD2 PRO 1 43 11.967 -20.056 6.258 1.00 0.00 H new ATOM 0 HD3 PRO 1 43 11.524 -19.201 7.723 1.00 0.00 H new ATOM 632 N GLY 1 44 12.636 -18.260 3.570 1.00 0.00 N ATOM 633 CA GLY 1 44 12.882 -18.548 2.166 1.00 0.00 C ATOM 634 C GLY 1 44 11.968 -17.713 1.267 1.00 0.00 C ATOM 635 O GLY 1 44 12.106 -17.734 0.046 1.00 0.00 O ATOM 0 H GLY 1 44 11.877 -18.797 3.989 1.00 0.00 H new ATOM 0 HA2 GLY 1 44 13.924 -18.339 1.925 1.00 0.00 H new ATOM 0 HA3 GLY 1 44 12.717 -19.608 1.974 1.00 0.00 H new ATOM 639 N VAL 1 45 11.053 -17.000 1.908 1.00 0.00 N ATOM 640 CA VAL 1 45 10.116 -16.159 1.181 1.00 0.00 C ATOM 641 C VAL 1 45 10.287 -14.706 1.629 1.00 0.00 C ATOM 642 O VAL 1 45 11.147 -14.406 2.455 1.00 0.00 O ATOM 643 CB VAL 1 45 8.690 -16.680 1.372 1.00 0.00 C ATOM 644 CG1 VAL 1 45 8.663 -18.210 1.389 1.00 0.00 C ATOM 645 CG2 VAL 1 45 8.063 -16.106 2.644 1.00 0.00 C ATOM 0 H VAL 1 45 10.940 -16.987 2.922 1.00 0.00 H new ATOM 0 HA VAL 1 45 10.321 -16.195 0.111 1.00 0.00 H new ATOM 0 HB VAL 1 45 8.094 -16.344 0.524 1.00 0.00 H new ATOM 0 HG11 VAL 1 45 7.638 -18.554 1.526 1.00 0.00 H new ATOM 0 HG12 VAL 1 45 9.051 -18.591 0.444 1.00 0.00 H new ATOM 0 HG13 VAL 1 45 9.281 -18.576 2.209 1.00 0.00 H new ATOM 0 HG21 VAL 1 45 7.050 -16.492 2.756 1.00 0.00 H new ATOM 0 HG22 VAL 1 45 8.660 -16.398 3.508 1.00 0.00 H new ATOM 0 HG23 VAL 1 45 8.031 -15.019 2.575 1.00 0.00 H new ATOM 655 N PRO 1 46 9.433 -13.822 1.048 1.00 0.00 N ATOM 656 CA PRO 1 46 9.481 -12.408 1.379 1.00 0.00 C ATOM 657 C PRO 1 46 8.871 -12.146 2.758 1.00 0.00 C ATOM 658 O PRO 1 46 7.679 -12.370 2.966 1.00 0.00 O ATOM 659 CB PRO 1 46 8.729 -11.715 0.255 1.00 0.00 C ATOM 660 CG PRO 1 46 7.892 -12.794 -0.414 1.00 0.00 C ATOM 661 CD PRO 1 46 8.402 -14.143 0.066 1.00 0.00 C ATOM 0 HA PRO 1 46 10.500 -12.028 1.452 1.00 0.00 H new ATOM 0 HB2 PRO 1 46 8.098 -10.915 0.642 1.00 0.00 H new ATOM 0 HB3 PRO 1 46 9.420 -11.260 -0.455 1.00 0.00 H new ATOM 0 HG2 PRO 1 46 6.839 -12.672 -0.161 1.00 0.00 H new ATOM 0 HG3 PRO 1 46 7.970 -12.720 -1.499 1.00 0.00 H new ATOM 0 HD2 PRO 1 46 7.601 -14.733 0.511 1.00 0.00 H new ATOM 0 HD3 PRO 1 46 8.809 -14.729 -0.758 1.00 0.00 H new ATOM 669 N TRP 1 47 9.715 -11.676 3.663 1.00 0.00 N ATOM 670 CA TRP 1 47 9.274 -11.380 5.016 1.00 0.00 C ATOM 671 C TRP 1 47 8.809 -9.923 5.054 1.00 0.00 C ATOM 672 O TRP 1 47 8.882 -9.272 6.095 1.00 0.00 O ATOM 673 CB TRP 1 47 10.378 -11.682 6.031 1.00 0.00 C ATOM 674 CG TRP 1 47 11.572 -12.439 5.446 1.00 0.00 C ATOM 675 CD1 TRP 1 47 11.693 -13.758 5.243 1.00 0.00 C ATOM 676 CD2 TRP 1 47 12.816 -11.864 4.992 1.00 0.00 C ATOM 677 NE1 TRP 1 47 12.920 -14.074 4.694 1.00 0.00 N ATOM 678 CE2 TRP 1 47 13.624 -12.886 4.537 1.00 0.00 C ATOM 679 CE3 TRP 1 47 13.243 -10.525 4.968 1.00 0.00 C ATOM 680 CZ2 TRP 1 47 14.910 -12.675 4.025 1.00 0.00 C ATOM 681 CZ3 TRP 1 47 14.531 -10.331 4.454 1.00 0.00 C ATOM 682 CH2 TRP 1 47 15.357 -11.350 3.991 1.00 0.00 C ATOM 0 H TRP 1 47 10.703 -11.492 3.487 1.00 0.00 H new ATOM 0 HA TRP 1 47 8.437 -12.020 5.297 1.00 0.00 H new ATOM 0 HB2 TRP 1 47 10.730 -10.743 6.459 1.00 0.00 H new ATOM 0 HB3 TRP 1 47 9.956 -12.266 6.848 1.00 0.00 H new ATOM 0 HD1 TRP 1 47 10.928 -14.482 5.479 1.00 0.00 H new ATOM 0 HE1 TRP 1 47 13.249 -15.008 4.449 1.00 0.00 H new ATOM 0 HE3 TRP 1 47 12.627 -9.710 5.318 1.00 0.00 H new ATOM 0 HZ2 TRP 1 47 15.524 -13.492 3.675 1.00 0.00 H new ATOM 0 HZ3 TRP 1 47 14.909 -9.320 4.414 1.00 0.00 H new ATOM 0 HH2 TRP 1 47 16.340 -11.119 3.607 1.00 0.00 H new ATOM 693 N CYS 1 48 8.340 -9.454 3.907 1.00 0.00 N ATOM 694 CA CYS 1 48 7.863 -8.086 3.796 1.00 0.00 C ATOM 695 C CYS 1 48 7.197 -7.919 2.429 1.00 0.00 C ATOM 696 O CYS 1 48 7.871 -7.939 1.400 1.00 0.00 O ATOM 697 CB CYS 1 48 8.991 -7.075 4.009 1.00 0.00 C ATOM 698 SG CYS 1 48 8.449 -5.330 4.105 1.00 0.00 S ATOM 0 H CYS 1 48 8.280 -9.997 3.046 1.00 0.00 H new ATOM 0 HA CYS 1 48 7.133 -7.888 4.581 1.00 0.00 H new ATOM 0 HB2 CYS 1 48 9.518 -7.328 4.929 1.00 0.00 H new ATOM 0 HB3 CYS 1 48 9.707 -7.174 3.194 1.00 0.00 H new ATOM 703 N PHE 1 49 5.881 -7.758 2.462 1.00 0.00 N ATOM 704 CA PHE 1 49 5.117 -7.587 1.239 1.00 0.00 C ATOM 705 C PHE 1 49 3.902 -6.687 1.472 1.00 0.00 C ATOM 706 O PHE 1 49 3.786 -6.054 2.520 1.00 0.00 O ATOM 707 CB PHE 1 49 4.635 -8.975 0.815 1.00 0.00 C ATOM 708 CG PHE 1 49 4.412 -9.939 1.983 1.00 0.00 C ATOM 709 CD1 PHE 1 49 5.477 -10.428 2.673 1.00 0.00 C ATOM 710 CD2 PHE 1 49 3.150 -10.309 2.328 1.00 0.00 C ATOM 711 CE1 PHE 1 49 5.271 -11.322 3.757 1.00 0.00 C ATOM 712 CE2 PHE 1 49 2.944 -11.204 3.411 1.00 0.00 C ATOM 713 CZ PHE 1 49 4.008 -11.692 4.103 1.00 0.00 C ATOM 0 H PHE 1 49 5.326 -7.743 3.317 1.00 0.00 H new ATOM 0 HA PHE 1 49 5.739 -7.121 0.474 1.00 0.00 H new ATOM 0 HB2 PHE 1 49 3.703 -8.871 0.260 1.00 0.00 H new ATOM 0 HB3 PHE 1 49 5.366 -9.410 0.133 1.00 0.00 H new ATOM 0 HD1 PHE 1 49 6.479 -10.136 2.397 1.00 0.00 H new ATOM 0 HD2 PHE 1 49 2.304 -9.922 1.779 1.00 0.00 H new ATOM 0 HE1 PHE 1 49 6.117 -11.708 4.307 1.00 0.00 H new ATOM 0 HE2 PHE 1 49 1.941 -11.497 3.685 1.00 0.00 H new ATOM 0 HZ PHE 1 49 3.851 -12.373 4.927 1.00 0.00 H new ATOM 723 N LYS 1 50 3.027 -6.658 0.477 1.00 0.00 N ATOM 724 CA LYS 1 50 1.826 -5.847 0.561 1.00 0.00 C ATOM 725 C LYS 1 50 0.597 -6.745 0.416 1.00 0.00 C ATOM 726 O LYS 1 50 -0.094 -6.698 -0.602 1.00 0.00 O ATOM 727 CB LYS 1 50 1.877 -4.706 -0.457 1.00 0.00 C ATOM 728 CG LYS 1 50 2.264 -5.226 -1.843 1.00 0.00 C ATOM 729 CD LYS 1 50 3.726 -4.906 -2.161 1.00 0.00 C ATOM 730 CE LYS 1 50 4.016 -3.417 -1.967 1.00 0.00 C ATOM 731 NZ LYS 1 50 4.618 -2.842 -3.191 1.00 0.00 N ATOM 0 H LYS 1 50 3.127 -7.184 -0.391 1.00 0.00 H new ATOM 0 HA LYS 1 50 1.758 -5.369 1.538 1.00 0.00 H new ATOM 0 HB2 LYS 1 50 0.905 -4.215 -0.507 1.00 0.00 H new ATOM 0 HB3 LYS 1 50 2.597 -3.955 -0.132 1.00 0.00 H new ATOM 0 HG2 LYS 1 50 2.106 -6.304 -1.888 1.00 0.00 H new ATOM 0 HG3 LYS 1 50 1.618 -4.777 -2.597 1.00 0.00 H new ATOM 0 HD2 LYS 1 50 4.379 -5.494 -1.517 1.00 0.00 H new ATOM 0 HD3 LYS 1 50 3.950 -5.193 -3.189 1.00 0.00 H new ATOM 0 HE2 LYS 1 50 3.093 -2.889 -1.726 1.00 0.00 H new ATOM 0 HE3 LYS 1 50 4.692 -3.279 -1.123 1.00 0.00 H new ATOM 0 HZ1 LYS 1 50 4.808 -1.831 -3.042 1.00 0.00 H new ATOM 0 HZ2 LYS 1 50 5.509 -3.334 -3.404 1.00 0.00 H new ATOM 0 HZ3 LYS 1 50 3.960 -2.957 -3.988 1.00 0.00 H new ATOM 745 N PRO 1 51 0.355 -7.565 1.473 1.00 0.00 N ATOM 746 CA PRO 1 51 -0.779 -8.474 1.472 1.00 0.00 C ATOM 747 C PRO 1 51 -2.087 -7.719 1.714 1.00 0.00 C ATOM 748 O PRO 1 51 -2.625 -7.094 0.802 1.00 0.00 O ATOM 749 CB PRO 1 51 -0.469 -9.490 2.560 1.00 0.00 C ATOM 750 CG PRO 1 51 0.593 -8.849 3.439 1.00 0.00 C ATOM 751 CD PRO 1 51 1.151 -7.648 2.694 1.00 0.00 C ATOM 0 HA PRO 1 51 -0.921 -8.969 0.511 1.00 0.00 H new ATOM 0 HB2 PRO 1 51 -1.362 -9.728 3.138 1.00 0.00 H new ATOM 0 HB3 PRO 1 51 -0.108 -10.425 2.130 1.00 0.00 H new ATOM 0 HG2 PRO 1 51 0.164 -8.541 4.393 1.00 0.00 H new ATOM 0 HG3 PRO 1 51 1.386 -9.563 3.661 1.00 0.00 H new ATOM 0 HD2 PRO 1 51 1.062 -6.738 3.287 1.00 0.00 H new ATOM 0 HD3 PRO 1 51 2.209 -7.779 2.468 1.00 0.00 H new ATOM 759 N LEU 1 52 -2.562 -7.802 2.949 1.00 0.00 N ATOM 760 CA LEU 1 52 -3.796 -7.135 3.322 1.00 0.00 C ATOM 761 C LEU 1 52 -3.474 -5.740 3.865 1.00 0.00 C ATOM 762 O LEU 1 52 -4.137 -5.258 4.781 1.00 0.00 O ATOM 763 CB LEU 1 52 -4.601 -8.000 4.294 1.00 0.00 C ATOM 764 CG LEU 1 52 -4.291 -7.808 5.779 1.00 0.00 C ATOM 765 CD1 LEU 1 52 -5.412 -7.036 6.479 1.00 0.00 C ATOM 766 CD2 LEU 1 52 -4.008 -9.149 6.459 1.00 0.00 C ATOM 0 H LEU 1 52 -2.113 -8.322 3.703 1.00 0.00 H new ATOM 0 HA LEU 1 52 -4.433 -6.999 2.448 1.00 0.00 H new ATOM 0 HB2 LEU 1 52 -5.661 -7.799 4.136 1.00 0.00 H new ATOM 0 HB3 LEU 1 52 -4.434 -9.047 4.041 1.00 0.00 H new ATOM 0 HG LEU 1 52 -3.385 -7.207 5.863 1.00 0.00 H new ATOM 0 HD11 LEU 1 52 -5.166 -6.914 7.534 1.00 0.00 H new ATOM 0 HD12 LEU 1 52 -5.523 -6.055 6.016 1.00 0.00 H new ATOM 0 HD13 LEU 1 52 -6.347 -7.588 6.386 1.00 0.00 H new ATOM 0 HD21 LEU 1 52 -3.791 -8.983 7.514 1.00 0.00 H new ATOM 0 HD22 LEU 1 52 -4.880 -9.796 6.366 1.00 0.00 H new ATOM 0 HD23 LEU 1 52 -3.151 -9.625 5.982 1.00 0.00 H new ATOM 778 N GLN 1 53 -2.455 -5.132 3.274 1.00 0.00 N ATOM 779 CA GLN 1 53 -2.036 -3.804 3.687 1.00 0.00 C ATOM 780 C GLN 1 53 -3.216 -2.832 3.624 1.00 0.00 C ATOM 781 O GLN 1 53 -3.245 -1.838 4.347 1.00 0.00 O ATOM 782 CB GLN 1 53 -0.870 -3.306 2.830 1.00 0.00 C ATOM 783 CG GLN 1 53 0.327 -4.254 2.930 1.00 0.00 C ATOM 784 CD GLN 1 53 0.741 -4.462 4.388 1.00 0.00 C ATOM 785 OE1 GLN 1 53 1.541 -3.727 4.944 1.00 0.00 O ATOM 786 NE2 GLN 1 53 0.156 -5.502 4.974 1.00 0.00 N ATOM 0 H GLN 1 53 -1.908 -5.535 2.513 1.00 0.00 H new ATOM 0 HA GLN 1 53 -1.689 -3.858 4.719 1.00 0.00 H new ATOM 0 HB2 GLN 1 53 -1.187 -3.223 1.790 1.00 0.00 H new ATOM 0 HB3 GLN 1 53 -0.576 -2.308 3.154 1.00 0.00 H new ATOM 0 HG2 GLN 1 53 0.074 -5.214 2.480 1.00 0.00 H new ATOM 0 HG3 GLN 1 53 1.166 -3.848 2.364 1.00 0.00 H new ATOM 0 HE21 GLN 1 53 -0.505 -6.077 4.451 1.00 0.00 H new ATOM 0 HE22 GLN 1 53 0.368 -5.725 5.946 1.00 0.00 H new ATOM 795 N GLU 1 54 -4.161 -3.154 2.752 1.00 0.00 N ATOM 796 CA GLU 1 54 -5.340 -2.322 2.585 1.00 0.00 C ATOM 797 C GLU 1 54 -5.812 -1.792 3.942 1.00 0.00 C ATOM 798 O GLU 1 54 -6.401 -0.715 4.020 1.00 0.00 O ATOM 799 CB GLU 1 54 -6.458 -3.091 1.878 1.00 0.00 C ATOM 800 CG GLU 1 54 -7.195 -4.010 2.854 1.00 0.00 C ATOM 801 CD GLU 1 54 -8.436 -3.320 3.426 1.00 0.00 C ATOM 802 OE1 GLU 1 54 -9.478 -3.366 2.737 1.00 0.00 O ATOM 803 OE2 GLU 1 54 -8.314 -2.762 4.537 1.00 0.00 O ATOM 0 H GLU 1 54 -4.134 -3.980 2.154 1.00 0.00 H new ATOM 0 HA GLU 1 54 -5.075 -1.472 1.957 1.00 0.00 H new ATOM 0 HB2 GLU 1 54 -7.162 -2.388 1.433 1.00 0.00 H new ATOM 0 HB3 GLU 1 54 -6.039 -3.681 1.063 1.00 0.00 H new ATOM 0 HG2 GLU 1 54 -7.487 -4.928 2.344 1.00 0.00 H new ATOM 0 HG3 GLU 1 54 -6.526 -4.295 3.666 1.00 0.00 H new ATOM 810 N ALA 1 55 -5.538 -2.574 4.974 1.00 0.00 N ATOM 811 CA ALA 1 55 -5.927 -2.198 6.323 1.00 0.00 C ATOM 812 C ALA 1 55 -5.720 -0.694 6.507 1.00 0.00 C ATOM 813 O ALA 1 55 -6.674 0.042 6.757 1.00 0.00 O ATOM 814 CB ALA 1 55 -5.130 -3.024 7.334 1.00 0.00 C ATOM 0 H ALA 1 55 -5.051 -3.467 4.904 1.00 0.00 H new ATOM 0 HA ALA 1 55 -6.983 -2.409 6.491 1.00 0.00 H new ATOM 0 HB1 ALA 1 55 -5.422 -2.742 8.345 1.00 0.00 H new ATOM 0 HB2 ALA 1 55 -5.334 -4.084 7.180 1.00 0.00 H new ATOM 0 HB3 ALA 1 55 -4.065 -2.836 7.198 1.00 0.00 H new ATOM 820 N GLU 1 56 -4.468 -0.281 6.379 1.00 0.00 N ATOM 821 CA GLU 1 56 -4.123 1.122 6.528 1.00 0.00 C ATOM 822 C GLU 1 56 -3.351 1.613 5.302 1.00 0.00 C ATOM 823 O GLU 1 56 -2.721 2.669 5.342 1.00 0.00 O ATOM 824 CB GLU 1 56 -3.322 1.357 7.810 1.00 0.00 C ATOM 825 CG GLU 1 56 -3.967 2.448 8.668 1.00 0.00 C ATOM 826 CD GLU 1 56 -2.919 3.166 9.521 1.00 0.00 C ATOM 827 OE1 GLU 1 56 -2.576 2.610 10.586 1.00 0.00 O ATOM 828 OE2 GLU 1 56 -2.484 4.256 9.088 1.00 0.00 O ATOM 0 H GLU 1 56 -3.679 -0.894 6.174 1.00 0.00 H new ATOM 0 HA GLU 1 56 -5.046 1.696 6.605 1.00 0.00 H new ATOM 0 HB2 GLU 1 56 -3.261 0.430 8.380 1.00 0.00 H new ATOM 0 HB3 GLU 1 56 -2.301 1.644 7.558 1.00 0.00 H new ATOM 0 HG2 GLU 1 56 -4.474 3.168 8.026 1.00 0.00 H new ATOM 0 HG3 GLU 1 56 -4.726 2.007 9.314 1.00 0.00 H new ATOM 835 N CYS 1 57 -3.425 0.823 4.241 1.00 0.00 N ATOM 836 CA CYS 1 57 -2.740 1.164 3.005 1.00 0.00 C ATOM 837 C CYS 1 57 -3.703 1.968 2.129 1.00 0.00 C ATOM 838 O CYS 1 57 -3.638 3.196 2.093 1.00 0.00 O ATOM 839 CB CYS 1 57 -2.219 -0.081 2.285 1.00 0.00 C ATOM 840 SG CYS 1 57 -1.410 0.244 0.676 1.00 0.00 S ATOM 0 H CYS 1 57 -3.949 -0.052 4.211 1.00 0.00 H new ATOM 0 HA CYS 1 57 -1.861 1.769 3.228 1.00 0.00 H new ATOM 0 HB2 CYS 1 57 -1.508 -0.590 2.937 1.00 0.00 H new ATOM 0 HB3 CYS 1 57 -3.052 -0.766 2.125 1.00 0.00 H new ATOM 845 N THR 1 58 -4.574 1.242 1.443 1.00 0.00 N ATOM 846 CA THR 1 58 -5.549 1.873 0.569 1.00 0.00 C ATOM 847 C THR 1 58 -6.347 2.930 1.335 1.00 0.00 C ATOM 848 O THR 1 58 -6.728 3.955 0.772 1.00 0.00 O ATOM 849 CB THR 1 58 -6.423 0.773 -0.036 1.00 0.00 C ATOM 850 OG1 THR 1 58 -6.838 1.309 -1.290 1.00 0.00 O ATOM 851 CG2 THR 1 58 -7.730 0.572 0.734 1.00 0.00 C ATOM 0 H THR 1 58 -4.625 0.224 1.475 1.00 0.00 H new ATOM 0 HA THR 1 58 -5.062 2.407 -0.247 1.00 0.00 H new ATOM 0 HB THR 1 58 -5.865 -0.163 -0.054 1.00 0.00 H new ATOM 0 HG1 THR 1 58 -6.974 2.276 -1.204 1.00 0.00 H new ATOM 0 HG21 THR 1 58 -8.312 -0.220 0.262 1.00 0.00 H new ATOM 0 HG22 THR 1 58 -7.506 0.294 1.764 1.00 0.00 H new ATOM 0 HG23 THR 1 58 -8.304 1.499 0.725 1.00 0.00 H new ATOM 859 N PHE 1 59 -6.577 2.644 2.608 1.00 0.00 N ATOM 860 CA PHE 1 59 -7.324 3.557 3.457 1.00 0.00 C ATOM 861 C PHE 1 59 -7.063 5.012 3.060 1.00 0.00 C ATOM 862 O PHE 1 59 -7.820 5.906 3.434 1.00 0.00 O ATOM 863 CB PHE 1 59 -6.834 3.336 4.890 1.00 0.00 C ATOM 864 CG PHE 1 59 -7.505 4.243 5.923 1.00 0.00 C ATOM 865 CD1 PHE 1 59 -8.856 4.216 6.078 1.00 0.00 C ATOM 866 CD2 PHE 1 59 -6.751 5.077 6.688 1.00 0.00 C ATOM 867 CE1 PHE 1 59 -9.479 5.056 7.036 1.00 0.00 C ATOM 868 CE2 PHE 1 59 -7.373 5.919 7.647 1.00 0.00 C ATOM 869 CZ PHE 1 59 -8.725 5.891 7.801 1.00 0.00 C ATOM 0 H PHE 1 59 -6.259 1.793 3.072 1.00 0.00 H new ATOM 0 HA PHE 1 59 -8.393 3.368 3.358 1.00 0.00 H new ATOM 0 HB2 PHE 1 59 -7.008 2.296 5.167 1.00 0.00 H new ATOM 0 HB3 PHE 1 59 -5.757 3.498 4.924 1.00 0.00 H new ATOM 0 HD1 PHE 1 59 -9.455 3.554 5.471 1.00 0.00 H new ATOM 0 HD2 PHE 1 59 -5.678 5.099 6.566 1.00 0.00 H new ATOM 0 HE1 PHE 1 59 -10.552 5.033 7.158 1.00 0.00 H new ATOM 0 HE2 PHE 1 59 -6.774 6.581 8.254 1.00 0.00 H new ATOM 0 HZ PHE 1 59 -9.199 6.531 8.530 1.00 0.00 H new TER 879 PHE 1 59 ATOM 880 N GLU 2 1 -21.990 5.231 1.977 1.00 0.00 N ATOM 881 CA GLU 2 1 -20.970 4.865 1.010 1.00 0.00 C ATOM 882 C GLU 2 1 -19.887 4.016 1.677 1.00 0.00 C ATOM 883 O GLU 2 1 -19.278 4.439 2.660 1.00 0.00 O ATOM 884 CB GLU 2 1 -20.365 6.109 0.356 1.00 0.00 C ATOM 885 CG GLU 2 1 -19.893 7.110 1.411 1.00 0.00 C ATOM 886 CD GLU 2 1 -21.081 7.836 2.046 1.00 0.00 C ATOM 887 OE1 GLU 2 1 -21.881 8.403 1.272 1.00 0.00 O ATOM 888 OE2 GLU 2 1 -21.162 7.808 3.294 1.00 0.00 O ATOM 0 H1 GLU 2 1 -22.645 5.916 1.548 1.00 0.00 H new ATOM 0 H2 GLU 2 1 -22.517 4.381 2.264 1.00 0.00 H new ATOM 0 H3 GLU 2 1 -21.540 5.658 2.812 1.00 0.00 H new ATOM 0 HA GLU 2 1 -21.437 4.271 0.224 1.00 0.00 H new ATOM 0 HB2 GLU 2 1 -19.526 5.820 -0.277 1.00 0.00 H new ATOM 0 HB3 GLU 2 1 -21.105 6.580 -0.291 1.00 0.00 H new ATOM 0 HG2 GLU 2 1 -19.325 6.590 2.182 1.00 0.00 H new ATOM 0 HG3 GLU 2 1 -19.220 7.836 0.954 1.00 0.00 H new ATOM 895 N GLU 2 2 -19.679 2.832 1.118 1.00 0.00 N ATOM 896 CA GLU 2 2 -18.681 1.919 1.647 1.00 0.00 C ATOM 897 C GLU 2 2 -17.331 2.159 0.970 1.00 0.00 C ATOM 898 O GLU 2 2 -16.905 3.303 0.812 1.00 0.00 O ATOM 899 CB GLU 2 2 -19.126 0.465 1.482 1.00 0.00 C ATOM 900 CG GLU 2 2 -18.416 -0.443 2.489 1.00 0.00 C ATOM 901 CD GLU 2 2 -19.401 -0.990 3.524 1.00 0.00 C ATOM 902 OE1 GLU 2 2 -20.431 -0.315 3.741 1.00 0.00 O ATOM 903 OE2 GLU 2 2 -19.103 -2.072 4.075 1.00 0.00 O ATOM 0 H GLU 2 2 -20.185 2.485 0.304 1.00 0.00 H new ATOM 0 HA GLU 2 2 -18.570 2.112 2.714 1.00 0.00 H new ATOM 0 HB2 GLU 2 2 -20.205 0.393 1.620 1.00 0.00 H new ATOM 0 HB3 GLU 2 2 -18.911 0.128 0.468 1.00 0.00 H new ATOM 0 HG2 GLU 2 2 -17.938 -1.270 1.964 1.00 0.00 H new ATOM 0 HG3 GLU 2 2 -17.626 0.114 2.993 1.00 0.00 H new ATOM 910 N TYR 2 3 -16.693 1.063 0.586 1.00 0.00 N ATOM 911 CA TYR 2 3 -15.399 1.140 -0.070 1.00 0.00 C ATOM 912 C TYR 2 3 -15.510 1.857 -1.417 1.00 0.00 C ATOM 913 O TYR 2 3 -15.398 1.231 -2.469 1.00 0.00 O ATOM 914 CB TYR 2 3 -14.961 -0.307 -0.311 1.00 0.00 C ATOM 915 CG TYR 2 3 -16.082 -1.220 -0.813 1.00 0.00 C ATOM 916 CD1 TYR 2 3 -17.205 -0.675 -1.401 1.00 0.00 C ATOM 917 CD2 TYR 2 3 -15.968 -2.589 -0.678 1.00 0.00 C ATOM 918 CE1 TYR 2 3 -18.260 -1.535 -1.873 1.00 0.00 C ATOM 919 CE2 TYR 2 3 -17.023 -3.449 -1.151 1.00 0.00 C ATOM 920 CZ TYR 2 3 -18.115 -2.879 -1.725 1.00 0.00 C ATOM 921 OH TYR 2 3 -19.111 -3.691 -2.172 1.00 0.00 O ATOM 0 H TYR 2 3 -17.049 0.116 0.717 1.00 0.00 H new ATOM 0 HA TYR 2 3 -14.690 1.695 0.544 1.00 0.00 H new ATOM 0 HB2 TYR 2 3 -14.148 -0.314 -1.037 1.00 0.00 H new ATOM 0 HB3 TYR 2 3 -14.562 -0.715 0.618 1.00 0.00 H new ATOM 0 HD1 TYR 2 3 -17.293 0.396 -1.507 1.00 0.00 H new ATOM 0 HD2 TYR 2 3 -15.089 -3.015 -0.218 1.00 0.00 H new ATOM 0 HE1 TYR 2 3 -19.145 -1.122 -2.334 1.00 0.00 H new ATOM 0 HE2 TYR 2 3 -16.948 -4.522 -1.052 1.00 0.00 H new ATOM 0 HH TYR 2 3 -18.872 -4.626 -2.002 1.00 0.00 H new ATOM 931 N VAL 2 4 -15.729 3.162 -1.340 1.00 0.00 N ATOM 932 CA VAL 2 4 -15.857 3.971 -2.540 1.00 0.00 C ATOM 933 C VAL 2 4 -14.893 5.156 -2.455 1.00 0.00 C ATOM 934 O VAL 2 4 -14.096 5.379 -3.365 1.00 0.00 O ATOM 935 CB VAL 2 4 -17.314 4.397 -2.731 1.00 0.00 C ATOM 936 CG1 VAL 2 4 -17.446 5.396 -3.883 1.00 0.00 C ATOM 937 CG2 VAL 2 4 -18.217 3.182 -2.953 1.00 0.00 C ATOM 0 H VAL 2 4 -15.821 3.679 -0.465 1.00 0.00 H new ATOM 0 HA VAL 2 4 -15.584 3.392 -3.422 1.00 0.00 H new ATOM 0 HB VAL 2 4 -17.640 4.893 -1.817 1.00 0.00 H new ATOM 0 HG11 VAL 2 4 -18.491 5.683 -3.998 1.00 0.00 H new ATOM 0 HG12 VAL 2 4 -16.848 6.282 -3.667 1.00 0.00 H new ATOM 0 HG13 VAL 2 4 -17.092 4.936 -4.806 1.00 0.00 H new ATOM 0 HG21 VAL 2 4 -19.247 3.513 -3.086 1.00 0.00 H new ATOM 0 HG22 VAL 2 4 -17.891 2.644 -3.843 1.00 0.00 H new ATOM 0 HG23 VAL 2 4 -18.157 2.521 -2.088 1.00 0.00 H new ATOM 947 N GLY 2 5 -14.998 5.886 -1.354 1.00 0.00 N ATOM 948 CA GLY 2 5 -14.146 7.043 -1.138 1.00 0.00 C ATOM 949 C GLY 2 5 -12.700 6.617 -0.879 1.00 0.00 C ATOM 950 O GLY 2 5 -11.824 7.462 -0.695 1.00 0.00 O ATOM 0 H GLY 2 5 -15.661 5.698 -0.602 1.00 0.00 H new ATOM 0 HA2 GLY 2 5 -14.186 7.697 -2.009 1.00 0.00 H new ATOM 0 HA3 GLY 2 5 -14.517 7.619 -0.290 1.00 0.00 H new ATOM 954 N LEU 2 6 -12.494 5.308 -0.870 1.00 0.00 N ATOM 955 CA LEU 2 6 -11.169 4.760 -0.636 1.00 0.00 C ATOM 956 C LEU 2 6 -10.857 3.715 -1.708 1.00 0.00 C ATOM 957 O LEU 2 6 -9.863 2.996 -1.609 1.00 0.00 O ATOM 958 CB LEU 2 6 -11.055 4.229 0.794 1.00 0.00 C ATOM 959 CG LEU 2 6 -12.204 3.338 1.272 1.00 0.00 C ATOM 960 CD1 LEU 2 6 -13.508 4.131 1.368 1.00 0.00 C ATOM 961 CD2 LEU 2 6 -12.349 2.104 0.379 1.00 0.00 C ATOM 0 H LEU 2 6 -13.223 4.611 -1.021 1.00 0.00 H new ATOM 0 HA LEU 2 6 -10.413 5.540 -0.723 1.00 0.00 H new ATOM 0 HB2 LEU 2 6 -10.126 3.666 0.878 1.00 0.00 H new ATOM 0 HB3 LEU 2 6 -10.975 5.079 1.471 1.00 0.00 H new ATOM 0 HG LEU 2 6 -11.967 2.984 2.275 1.00 0.00 H new ATOM 0 HD11 LEU 2 6 -14.309 3.475 1.710 1.00 0.00 H new ATOM 0 HD12 LEU 2 6 -13.384 4.951 2.075 1.00 0.00 H new ATOM 0 HD13 LEU 2 6 -13.762 4.533 0.387 1.00 0.00 H new ATOM 0 HD21 LEU 2 6 -13.172 1.488 0.741 1.00 0.00 H new ATOM 0 HD22 LEU 2 6 -12.553 2.418 -0.645 1.00 0.00 H new ATOM 0 HD23 LEU 2 6 -11.425 1.526 0.404 1.00 0.00 H new ATOM 973 N SER 2 7 -11.723 3.664 -2.709 1.00 0.00 N ATOM 974 CA SER 2 7 -11.552 2.717 -3.799 1.00 0.00 C ATOM 975 C SER 2 7 -11.071 3.448 -5.054 1.00 0.00 C ATOM 976 O SER 2 7 -10.616 4.588 -4.978 1.00 0.00 O ATOM 977 CB SER 2 7 -12.855 1.968 -4.087 1.00 0.00 C ATOM 978 OG SER 2 7 -12.706 0.560 -3.931 1.00 0.00 O ATOM 0 H SER 2 7 -12.545 4.263 -2.789 1.00 0.00 H new ATOM 0 HA SER 2 7 -10.802 1.984 -3.502 1.00 0.00 H new ATOM 0 HB2 SER 2 7 -13.635 2.327 -3.416 1.00 0.00 H new ATOM 0 HB3 SER 2 7 -13.183 2.188 -5.103 1.00 0.00 H new ATOM 0 HG SER 2 7 -13.559 0.118 -4.122 1.00 0.00 H new ATOM 984 N ALA 2 8 -11.190 2.762 -6.182 1.00 0.00 N ATOM 985 CA ALA 2 8 -10.773 3.330 -7.452 1.00 0.00 C ATOM 986 C ALA 2 8 -11.531 4.636 -7.694 1.00 0.00 C ATOM 987 O ALA 2 8 -12.573 4.641 -8.348 1.00 0.00 O ATOM 988 CB ALA 2 8 -11.000 2.309 -8.568 1.00 0.00 C ATOM 0 H ALA 2 8 -11.570 1.817 -6.242 1.00 0.00 H new ATOM 0 HA ALA 2 8 -9.709 3.564 -7.437 1.00 0.00 H new ATOM 0 HB1 ALA 2 8 -10.687 2.736 -9.521 1.00 0.00 H new ATOM 0 HB2 ALA 2 8 -10.417 1.411 -8.364 1.00 0.00 H new ATOM 0 HB3 ALA 2 8 -12.058 2.052 -8.616 1.00 0.00 H new ATOM 994 N ASN 2 9 -10.980 5.713 -7.153 1.00 0.00 N ATOM 995 CA ASN 2 9 -11.591 7.022 -7.303 1.00 0.00 C ATOM 996 C ASN 2 9 -10.966 7.990 -6.295 1.00 0.00 C ATOM 997 O ASN 2 9 -10.886 9.190 -6.550 1.00 0.00 O ATOM 998 CB ASN 2 9 -13.095 6.963 -7.030 1.00 0.00 C ATOM 999 CG ASN 2 9 -13.664 8.362 -6.786 1.00 0.00 C ATOM 1000 OD1 ASN 2 9 -13.282 9.265 -7.684 1.00 0.00 O flip ATOM 1001 ND2 ASN 2 9 -14.403 8.605 -5.847 1.00 0.00 N flip ATOM 0 H ASN 2 9 -10.117 5.705 -6.610 1.00 0.00 H new ATOM 0 HA ASN 2 9 -11.423 7.357 -8.327 1.00 0.00 H new ATOM 0 HB2 ASN 2 9 -13.604 6.502 -7.877 1.00 0.00 H new ATOM 0 HB3 ASN 2 9 -13.286 6.332 -6.162 1.00 0.00 H new ATOM 0 HD21 ASN 2 9 -14.657 7.864 -5.193 1.00 0.00 H new ATOM 0 HD22 ASN 2 9 -14.767 9.549 -5.715 1.00 0.00 H new ATOM 1008 N GLN 2 10 -10.538 7.431 -5.173 1.00 0.00 N ATOM 1009 CA GLN 2 10 -9.923 8.229 -4.126 1.00 0.00 C ATOM 1010 C GLN 2 10 -8.614 8.843 -4.627 1.00 0.00 C ATOM 1011 O GLN 2 10 -8.244 9.943 -4.219 1.00 0.00 O ATOM 1012 CB GLN 2 10 -9.690 7.395 -2.865 1.00 0.00 C ATOM 1013 CG GLN 2 10 -9.014 8.227 -1.774 1.00 0.00 C ATOM 1014 CD GLN 2 10 -9.129 7.542 -0.411 1.00 0.00 C ATOM 1015 OE1 GLN 2 10 -8.412 6.427 -0.303 1.00 0.00 O flip ATOM 1016 NE2 GLN 2 10 -9.823 7.995 0.484 1.00 0.00 N flip ATOM 0 H GLN 2 10 -10.605 6.435 -4.966 1.00 0.00 H new ATOM 0 HA GLN 2 10 -10.605 9.038 -3.865 1.00 0.00 H new ATOM 0 HB2 GLN 2 10 -10.642 7.012 -2.497 1.00 0.00 H new ATOM 0 HB3 GLN 2 10 -9.070 6.531 -3.105 1.00 0.00 H new ATOM 0 HG2 GLN 2 10 -7.963 8.375 -2.023 1.00 0.00 H new ATOM 0 HG3 GLN 2 10 -9.473 9.215 -1.728 1.00 0.00 H new ATOM 0 HE21 GLN 2 10 -10.349 8.856 0.335 1.00 0.00 H new ATOM 0 HE22 GLN 2 10 -9.877 7.513 1.381 1.00 0.00 H new ATOM 1025 N CYS 2 11 -7.949 8.105 -5.504 1.00 0.00 N ATOM 1026 CA CYS 2 11 -6.690 8.563 -6.065 1.00 0.00 C ATOM 1027 C CYS 2 11 -6.971 9.782 -6.948 1.00 0.00 C ATOM 1028 O CYS 2 11 -6.049 10.378 -7.501 1.00 0.00 O ATOM 1029 CB CYS 2 11 -5.977 7.452 -6.838 1.00 0.00 C ATOM 1030 SG CYS 2 11 -4.378 7.938 -7.582 1.00 0.00 S ATOM 0 H CYS 2 11 -8.259 7.193 -5.840 1.00 0.00 H new ATOM 0 HA CYS 2 11 -6.013 8.847 -5.259 1.00 0.00 H new ATOM 0 HB2 CYS 2 11 -5.808 6.612 -6.165 1.00 0.00 H new ATOM 0 HB3 CYS 2 11 -6.637 7.098 -7.630 1.00 0.00 H new ATOM 1035 N ALA 2 12 -8.249 10.115 -7.050 1.00 0.00 N ATOM 1036 CA ALA 2 12 -8.664 11.252 -7.855 1.00 0.00 C ATOM 1037 C ALA 2 12 -9.364 12.277 -6.960 1.00 0.00 C ATOM 1038 O ALA 2 12 -9.969 13.227 -7.455 1.00 0.00 O ATOM 1039 CB ALA 2 12 -9.558 10.769 -8.999 1.00 0.00 C ATOM 0 H ALA 2 12 -9.011 9.618 -6.589 1.00 0.00 H new ATOM 0 HA ALA 2 12 -7.799 11.742 -8.302 1.00 0.00 H new ATOM 0 HB1 ALA 2 12 -9.869 11.622 -9.603 1.00 0.00 H new ATOM 0 HB2 ALA 2 12 -9.004 10.066 -9.622 1.00 0.00 H new ATOM 0 HB3 ALA 2 12 -10.438 10.274 -8.589 1.00 0.00 H new ATOM 1045 N VAL 2 13 -9.258 12.050 -5.659 1.00 0.00 N ATOM 1046 CA VAL 2 13 -9.874 12.942 -4.691 1.00 0.00 C ATOM 1047 C VAL 2 13 -9.667 14.391 -5.136 1.00 0.00 C ATOM 1048 O VAL 2 13 -8.862 14.661 -6.027 1.00 0.00 O ATOM 1049 CB VAL 2 13 -9.318 12.660 -3.293 1.00 0.00 C ATOM 1050 CG1 VAL 2 13 -8.395 13.790 -2.832 1.00 0.00 C ATOM 1051 CG2 VAL 2 13 -10.450 12.433 -2.290 1.00 0.00 C ATOM 0 H VAL 2 13 -8.755 11.261 -5.252 1.00 0.00 H new ATOM 0 HA VAL 2 13 -10.949 12.768 -4.640 1.00 0.00 H new ATOM 0 HB VAL 2 13 -8.727 11.745 -3.345 1.00 0.00 H new ATOM 0 HG11 VAL 2 13 -8.014 13.565 -1.836 1.00 0.00 H new ATOM 0 HG12 VAL 2 13 -7.561 13.885 -3.527 1.00 0.00 H new ATOM 0 HG13 VAL 2 13 -8.952 14.726 -2.804 1.00 0.00 H new ATOM 0 HG21 VAL 2 13 -10.029 12.235 -1.305 1.00 0.00 H new ATOM 0 HG22 VAL 2 13 -11.079 13.322 -2.244 1.00 0.00 H new ATOM 0 HG23 VAL 2 13 -11.051 11.580 -2.606 1.00 0.00 H new ATOM 1061 N PRO 2 14 -10.426 15.308 -4.478 1.00 0.00 N ATOM 1062 CA PRO 2 14 -10.334 16.722 -4.797 1.00 0.00 C ATOM 1063 C PRO 2 14 -9.049 17.329 -4.231 1.00 0.00 C ATOM 1064 O PRO 2 14 -8.998 18.523 -3.939 1.00 0.00 O ATOM 1065 CB PRO 2 14 -11.591 17.340 -4.210 1.00 0.00 C ATOM 1066 CG PRO 2 14 -12.109 16.342 -3.188 1.00 0.00 C ATOM 1067 CD PRO 2 14 -11.388 15.023 -3.418 1.00 0.00 C ATOM 0 HA PRO 2 14 -10.278 16.909 -5.869 1.00 0.00 H new ATOM 0 HB2 PRO 2 14 -11.372 18.300 -3.742 1.00 0.00 H new ATOM 0 HB3 PRO 2 14 -12.334 17.525 -4.986 1.00 0.00 H new ATOM 0 HG2 PRO 2 14 -11.929 16.704 -2.176 1.00 0.00 H new ATOM 0 HG3 PRO 2 14 -13.186 16.212 -3.293 1.00 0.00 H new ATOM 0 HD2 PRO 2 14 -10.889 14.681 -2.511 1.00 0.00 H new ATOM 0 HD3 PRO 2 14 -12.083 14.238 -3.715 1.00 0.00 H new ATOM 1075 N ALA 2 15 -8.041 16.479 -4.093 1.00 0.00 N ATOM 1076 CA ALA 2 15 -6.760 16.917 -3.566 1.00 0.00 C ATOM 1077 C ALA 2 15 -6.986 17.703 -2.273 1.00 0.00 C ATOM 1078 O ALA 2 15 -6.812 18.919 -2.244 1.00 0.00 O ATOM 1079 CB ALA 2 15 -6.026 17.739 -4.628 1.00 0.00 C ATOM 0 H ALA 2 15 -8.086 15.490 -4.337 1.00 0.00 H new ATOM 0 HA ALA 2 15 -6.131 16.060 -3.324 1.00 0.00 H new ATOM 0 HB1 ALA 2 15 -5.065 18.068 -4.233 1.00 0.00 H new ATOM 0 HB2 ALA 2 15 -5.864 17.126 -5.515 1.00 0.00 H new ATOM 0 HB3 ALA 2 15 -6.626 18.609 -4.894 1.00 0.00 H new ATOM 1085 N LYS 2 16 -7.368 16.973 -1.235 1.00 0.00 N ATOM 1086 CA LYS 2 16 -7.620 17.587 0.058 1.00 0.00 C ATOM 1087 C LYS 2 16 -8.326 16.579 0.967 1.00 0.00 C ATOM 1088 O LYS 2 16 -9.250 16.937 1.696 1.00 0.00 O ATOM 1089 CB LYS 2 16 -8.383 18.902 -0.112 1.00 0.00 C ATOM 1090 CG LYS 2 16 -9.401 18.802 -1.249 1.00 0.00 C ATOM 1091 CD LYS 2 16 -10.811 19.132 -0.754 1.00 0.00 C ATOM 1092 CE LYS 2 16 -11.412 17.954 0.014 1.00 0.00 C ATOM 1093 NZ LYS 2 16 -11.597 18.306 1.441 1.00 0.00 N ATOM 0 H LYS 2 16 -7.509 15.963 -1.263 1.00 0.00 H new ATOM 0 HA LYS 2 16 -6.681 17.852 0.543 1.00 0.00 H new ATOM 0 HB2 LYS 2 16 -8.894 19.153 0.817 1.00 0.00 H new ATOM 0 HB3 LYS 2 16 -7.681 19.710 -0.318 1.00 0.00 H new ATOM 0 HG2 LYS 2 16 -9.124 19.486 -2.051 1.00 0.00 H new ATOM 0 HG3 LYS 2 16 -9.385 17.796 -1.668 1.00 0.00 H new ATOM 0 HD2 LYS 2 16 -10.778 20.011 -0.111 1.00 0.00 H new ATOM 0 HD3 LYS 2 16 -11.449 19.381 -1.602 1.00 0.00 H new ATOM 0 HE2 LYS 2 16 -12.370 17.676 -0.425 1.00 0.00 H new ATOM 0 HE3 LYS 2 16 -10.759 17.086 -0.071 1.00 0.00 H new ATOM 0 HZ1 LYS 2 16 -12.500 17.917 1.780 1.00 0.00 H new ATOM 0 HZ2 LYS 2 16 -10.816 17.908 2.001 1.00 0.00 H new ATOM 0 HZ3 LYS 2 16 -11.605 19.341 1.545 1.00 0.00 H new ATOM 1107 N ASP 2 17 -7.864 15.339 0.893 1.00 0.00 N ATOM 1108 CA ASP 2 17 -8.440 14.278 1.701 1.00 0.00 C ATOM 1109 C ASP 2 17 -7.481 13.086 1.728 1.00 0.00 C ATOM 1110 O ASP 2 17 -7.858 11.990 2.142 1.00 0.00 O ATOM 1111 CB ASP 2 17 -9.770 13.800 1.115 1.00 0.00 C ATOM 1112 CG ASP 2 17 -10.670 13.039 2.091 1.00 0.00 C ATOM 1113 OD1 ASP 2 17 -11.037 13.649 3.118 1.00 0.00 O ATOM 1114 OD2 ASP 2 17 -10.971 11.864 1.787 1.00 0.00 O ATOM 0 H ASP 2 17 -7.098 15.046 0.286 1.00 0.00 H new ATOM 0 HA ASP 2 17 -8.608 14.671 2.704 1.00 0.00 H new ATOM 0 HB2 ASP 2 17 -10.316 14.665 0.740 1.00 0.00 H new ATOM 0 HB3 ASP 2 17 -9.563 13.158 0.259 1.00 0.00 H new ATOM 1119 N ARG 2 18 -6.259 13.340 1.281 1.00 0.00 N ATOM 1120 CA ARG 2 18 -5.243 12.302 1.249 1.00 0.00 C ATOM 1121 C ARG 2 18 -4.443 12.301 2.554 1.00 0.00 C ATOM 1122 O ARG 2 18 -4.567 13.220 3.362 1.00 0.00 O ATOM 1123 CB ARG 2 18 -4.286 12.505 0.072 1.00 0.00 C ATOM 1124 CG ARG 2 18 -5.058 12.724 -1.230 1.00 0.00 C ATOM 1125 CD ARG 2 18 -4.315 13.697 -2.150 1.00 0.00 C ATOM 1126 NE ARG 2 18 -4.885 13.637 -3.515 1.00 0.00 N ATOM 1127 CZ ARG 2 18 -4.257 14.085 -4.610 1.00 0.00 C ATOM 1128 NH1 ARG 2 18 -3.036 14.628 -4.508 1.00 0.00 N ATOM 1129 NH2 ARG 2 18 -4.850 13.990 -5.808 1.00 0.00 N ATOM 0 H ARG 2 18 -5.950 14.250 0.938 1.00 0.00 H new ATOM 0 HA ARG 2 18 -5.750 11.345 1.130 1.00 0.00 H new ATOM 0 HB2 ARG 2 18 -3.642 13.363 0.266 1.00 0.00 H new ATOM 0 HB3 ARG 2 18 -3.637 11.635 -0.028 1.00 0.00 H new ATOM 0 HG2 ARG 2 18 -5.197 11.770 -1.739 1.00 0.00 H new ATOM 0 HG3 ARG 2 18 -6.051 13.115 -1.007 1.00 0.00 H new ATOM 0 HD2 ARG 2 18 -4.392 14.711 -1.759 1.00 0.00 H new ATOM 0 HD3 ARG 2 18 -3.255 13.446 -2.178 1.00 0.00 H new ATOM 0 HE ARG 2 18 -5.813 13.229 -3.629 1.00 0.00 H new ATOM 0 HH11 ARG 2 18 -2.585 14.700 -3.596 1.00 0.00 H new ATOM 0 HH12 ARG 2 18 -2.558 14.969 -5.342 1.00 0.00 H new ATOM 0 HH21 ARG 2 18 -5.779 13.577 -5.886 1.00 0.00 H new ATOM 0 HH22 ARG 2 18 -4.372 14.331 -6.642 1.00 0.00 H new ATOM 1143 N VAL 2 19 -3.643 11.259 2.718 1.00 0.00 N ATOM 1144 CA VAL 2 19 -2.822 11.127 3.910 1.00 0.00 C ATOM 1145 C VAL 2 19 -1.423 11.679 3.627 1.00 0.00 C ATOM 1146 O VAL 2 19 -0.487 11.422 4.382 1.00 0.00 O ATOM 1147 CB VAL 2 19 -2.807 9.670 4.376 1.00 0.00 C ATOM 1148 CG1 VAL 2 19 -2.259 9.554 5.800 1.00 0.00 C ATOM 1149 CG2 VAL 2 19 -4.201 9.047 4.273 1.00 0.00 C ATOM 0 H VAL 2 19 -3.545 10.498 2.046 1.00 0.00 H new ATOM 0 HA VAL 2 19 -3.242 11.712 4.728 1.00 0.00 H new ATOM 0 HB VAL 2 19 -2.142 9.115 3.715 1.00 0.00 H new ATOM 0 HG11 VAL 2 19 -2.260 8.508 6.106 1.00 0.00 H new ATOM 0 HG12 VAL 2 19 -1.240 9.940 5.830 1.00 0.00 H new ATOM 0 HG13 VAL 2 19 -2.886 10.131 6.479 1.00 0.00 H new ATOM 0 HG21 VAL 2 19 -4.162 8.011 4.610 1.00 0.00 H new ATOM 0 HG22 VAL 2 19 -4.897 9.607 4.898 1.00 0.00 H new ATOM 0 HG23 VAL 2 19 -4.538 9.079 3.237 1.00 0.00 H new ATOM 1159 N ASP 2 20 -1.327 12.425 2.537 1.00 0.00 N ATOM 1160 CA ASP 2 20 -0.058 13.015 2.145 1.00 0.00 C ATOM 1161 C ASP 2 20 1.079 12.061 2.514 1.00 0.00 C ATOM 1162 O ASP 2 20 1.741 12.244 3.534 1.00 0.00 O ATOM 1163 CB ASP 2 20 0.181 14.340 2.871 1.00 0.00 C ATOM 1164 CG ASP 2 20 1.650 14.755 2.993 1.00 0.00 C ATOM 1165 OD1 ASP 2 20 2.271 14.960 1.928 1.00 0.00 O ATOM 1166 OD2 ASP 2 20 2.116 14.856 4.148 1.00 0.00 O ATOM 0 H ASP 2 20 -2.106 12.635 1.913 1.00 0.00 H new ATOM 0 HA ASP 2 20 -0.087 13.193 1.070 1.00 0.00 H new ATOM 0 HB2 ASP 2 20 -0.361 15.127 2.347 1.00 0.00 H new ATOM 0 HB3 ASP 2 20 -0.246 14.271 3.872 1.00 0.00 H new ATOM 1171 N CYS 2 21 1.271 11.063 1.663 1.00 0.00 N ATOM 1172 CA CYS 2 21 2.316 10.079 1.887 1.00 0.00 C ATOM 1173 C CYS 2 21 3.588 10.817 2.311 1.00 0.00 C ATOM 1174 O CYS 2 21 4.315 10.356 3.189 1.00 0.00 O ATOM 1175 CB CYS 2 21 2.548 9.208 0.652 1.00 0.00 C ATOM 1176 SG CYS 2 21 3.359 7.602 0.985 1.00 0.00 S ATOM 0 H CYS 2 21 0.720 10.915 0.817 1.00 0.00 H new ATOM 0 HA CYS 2 21 2.011 9.396 2.680 1.00 0.00 H new ATOM 0 HB2 CYS 2 21 1.588 9.021 0.171 1.00 0.00 H new ATOM 0 HB3 CYS 2 21 3.157 9.766 -0.059 1.00 0.00 H new ATOM 1181 N GLY 2 22 3.817 11.952 1.667 1.00 0.00 N ATOM 1182 CA GLY 2 22 4.988 12.759 1.964 1.00 0.00 C ATOM 1183 C GLY 2 22 6.228 11.881 2.142 1.00 0.00 C ATOM 1184 O GLY 2 22 6.835 11.865 3.212 1.00 0.00 O ATOM 0 H GLY 2 22 3.211 12.332 0.940 1.00 0.00 H new ATOM 0 HA2 GLY 2 22 5.156 13.473 1.158 1.00 0.00 H new ATOM 0 HA3 GLY 2 22 4.815 13.338 2.871 1.00 0.00 H new ATOM 1188 N TYR 2 23 6.570 11.172 1.076 1.00 0.00 N ATOM 1189 CA TYR 2 23 7.726 10.293 1.101 1.00 0.00 C ATOM 1190 C TYR 2 23 8.982 11.027 0.624 1.00 0.00 C ATOM 1191 O TYR 2 23 8.893 11.979 -0.149 1.00 0.00 O ATOM 1192 CB TYR 2 23 7.413 9.156 0.124 1.00 0.00 C ATOM 1193 CG TYR 2 23 6.999 7.850 0.804 1.00 0.00 C ATOM 1194 CD1 TYR 2 23 7.580 7.480 2.000 1.00 0.00 C ATOM 1195 CD2 TYR 2 23 6.045 7.042 0.221 1.00 0.00 C ATOM 1196 CE1 TYR 2 23 7.190 6.250 2.639 1.00 0.00 C ATOM 1197 CE2 TYR 2 23 5.654 5.812 0.860 1.00 0.00 C ATOM 1198 CZ TYR 2 23 6.246 5.476 2.037 1.00 0.00 C ATOM 1199 OH TYR 2 23 5.879 4.314 2.641 1.00 0.00 O ATOM 0 H TYR 2 23 6.066 11.189 0.189 1.00 0.00 H new ATOM 0 HA TYR 2 23 7.914 9.935 2.113 1.00 0.00 H new ATOM 0 HB2 TYR 2 23 6.614 9.475 -0.545 1.00 0.00 H new ATOM 0 HB3 TYR 2 23 8.291 8.970 -0.494 1.00 0.00 H new ATOM 0 HD1 TYR 2 23 8.327 8.113 2.456 1.00 0.00 H new ATOM 0 HD2 TYR 2 23 5.591 7.332 -0.715 1.00 0.00 H new ATOM 0 HE1 TYR 2 23 7.637 5.948 3.575 1.00 0.00 H new ATOM 0 HE2 TYR 2 23 4.908 5.171 0.414 1.00 0.00 H new ATOM 0 HH TYR 2 23 5.196 3.865 2.100 1.00 0.00 H new ATOM 1209 N PRO 2 24 10.153 10.542 1.118 1.00 0.00 N ATOM 1210 CA PRO 2 24 11.425 11.141 0.751 1.00 0.00 C ATOM 1211 C PRO 2 24 11.824 10.752 -0.673 1.00 0.00 C ATOM 1212 O PRO 2 24 12.821 11.244 -1.199 1.00 0.00 O ATOM 1213 CB PRO 2 24 12.408 10.649 1.801 1.00 0.00 C ATOM 1214 CG PRO 2 24 11.761 9.432 2.440 1.00 0.00 C ATOM 1215 CD PRO 2 24 10.296 9.416 2.035 1.00 0.00 C ATOM 0 HA PRO 2 24 11.390 12.230 0.738 1.00 0.00 H new ATOM 0 HB2 PRO 2 24 13.365 10.390 1.349 1.00 0.00 H new ATOM 0 HB3 PRO 2 24 12.605 11.422 2.544 1.00 0.00 H new ATOM 0 HG2 PRO 2 24 12.258 8.519 2.112 1.00 0.00 H new ATOM 0 HG3 PRO 2 24 11.857 9.474 3.525 1.00 0.00 H new ATOM 0 HD2 PRO 2 24 10.029 8.476 1.552 1.00 0.00 H new ATOM 0 HD3 PRO 2 24 9.644 9.526 2.902 1.00 0.00 H new ATOM 1223 N HIS 2 25 11.025 9.870 -1.257 1.00 0.00 N ATOM 1224 CA HIS 2 25 11.284 9.408 -2.610 1.00 0.00 C ATOM 1225 C HIS 2 25 10.049 9.653 -3.480 1.00 0.00 C ATOM 1226 O HIS 2 25 9.987 9.192 -4.619 1.00 0.00 O ATOM 1227 CB HIS 2 25 11.728 7.943 -2.609 1.00 0.00 C ATOM 1228 CG HIS 2 25 13.086 7.714 -3.224 1.00 0.00 C ATOM 1229 ND1 HIS 2 25 13.388 8.064 -4.529 1.00 0.00 N ATOM 1230 CD2 HIS 2 25 14.221 7.166 -2.701 1.00 0.00 C ATOM 1231 CE1 HIS 2 25 14.650 7.736 -4.770 1.00 0.00 C ATOM 1232 NE2 HIS 2 25 15.164 7.180 -3.635 1.00 0.00 N ATOM 0 H HIS 2 25 10.199 9.464 -0.818 1.00 0.00 H new ATOM 0 HA HIS 2 25 12.108 9.976 -3.041 1.00 0.00 H new ATOM 0 HB2 HIS 2 25 11.739 7.578 -1.582 1.00 0.00 H new ATOM 0 HB3 HIS 2 25 10.991 7.350 -3.150 1.00 0.00 H new ATOM 0 HD2 HIS 2 25 14.333 6.785 -1.697 1.00 0.00 H new ATOM 0 HE1 HIS 2 25 15.178 7.883 -5.701 1.00 0.00 H new ATOM 0 HE2 HIS 2 25 16.116 6.832 -3.523 1.00 0.00 H new ATOM 1241 N VAL 2 26 9.097 10.376 -2.910 1.00 0.00 N ATOM 1242 CA VAL 2 26 7.868 10.687 -3.619 1.00 0.00 C ATOM 1243 C VAL 2 26 8.188 10.963 -5.090 1.00 0.00 C ATOM 1244 O VAL 2 26 8.900 11.914 -5.405 1.00 0.00 O ATOM 1245 CB VAL 2 26 7.150 11.853 -2.935 1.00 0.00 C ATOM 1246 CG1 VAL 2 26 8.134 12.968 -2.575 1.00 0.00 C ATOM 1247 CG2 VAL 2 26 6.013 12.385 -3.809 1.00 0.00 C ATOM 0 H VAL 2 26 9.152 10.756 -1.965 1.00 0.00 H new ATOM 0 HA VAL 2 26 7.185 9.838 -3.589 1.00 0.00 H new ATOM 0 HB VAL 2 26 6.713 11.480 -2.008 1.00 0.00 H new ATOM 0 HG11 VAL 2 26 7.598 13.784 -2.090 1.00 0.00 H new ATOM 0 HG12 VAL 2 26 8.893 12.579 -1.896 1.00 0.00 H new ATOM 0 HG13 VAL 2 26 8.613 13.337 -3.482 1.00 0.00 H new ATOM 0 HG21 VAL 2 26 5.519 13.213 -3.300 1.00 0.00 H new ATOM 0 HG22 VAL 2 26 6.417 12.733 -4.760 1.00 0.00 H new ATOM 0 HG23 VAL 2 26 5.291 11.589 -3.991 1.00 0.00 H new ATOM 1257 N THR 2 27 7.646 10.113 -5.949 1.00 0.00 N ATOM 1258 CA THR 2 27 7.864 10.253 -7.379 1.00 0.00 C ATOM 1259 C THR 2 27 6.907 9.348 -8.156 1.00 0.00 C ATOM 1260 O THR 2 27 6.333 8.417 -7.594 1.00 0.00 O ATOM 1261 CB THR 2 27 9.340 9.962 -7.662 1.00 0.00 C ATOM 1262 OG1 THR 2 27 9.769 11.072 -8.445 1.00 0.00 O ATOM 1263 CG2 THR 2 27 9.532 8.758 -8.586 1.00 0.00 C ATOM 0 H THR 2 27 7.056 9.325 -5.683 1.00 0.00 H new ATOM 0 HA THR 2 27 7.647 11.267 -7.715 1.00 0.00 H new ATOM 0 HB THR 2 27 9.862 9.785 -6.722 1.00 0.00 H new ATOM 0 HG1 THR 2 27 10.716 10.966 -8.672 1.00 0.00 H new ATOM 0 HG21 THR 2 27 10.596 8.595 -8.755 1.00 0.00 H new ATOM 0 HG22 THR 2 27 9.098 7.872 -8.124 1.00 0.00 H new ATOM 0 HG23 THR 2 27 9.039 8.949 -9.539 1.00 0.00 H new ATOM 1271 N PRO 2 28 6.761 9.661 -9.472 1.00 0.00 N ATOM 1272 CA PRO 2 28 5.882 8.886 -10.332 1.00 0.00 C ATOM 1273 C PRO 2 28 6.512 7.538 -10.687 1.00 0.00 C ATOM 1274 O PRO 2 28 6.557 7.159 -11.856 1.00 0.00 O ATOM 1275 CB PRO 2 28 5.644 9.769 -11.546 1.00 0.00 C ATOM 1276 CG PRO 2 28 6.759 10.801 -11.538 1.00 0.00 C ATOM 1277 CD PRO 2 28 7.425 10.756 -10.172 1.00 0.00 C ATOM 0 HA PRO 2 28 4.938 8.630 -9.850 1.00 0.00 H new ATOM 0 HB2 PRO 2 28 5.662 9.183 -12.465 1.00 0.00 H new ATOM 0 HB3 PRO 2 28 4.667 10.250 -11.493 1.00 0.00 H new ATOM 0 HG2 PRO 2 28 7.484 10.586 -12.323 1.00 0.00 H new ATOM 0 HG3 PRO 2 28 6.360 11.796 -11.736 1.00 0.00 H new ATOM 0 HD2 PRO 2 28 8.497 10.578 -10.260 1.00 0.00 H new ATOM 0 HD3 PRO 2 28 7.301 11.699 -9.640 1.00 0.00 H new ATOM 1285 N LYS 2 29 6.982 6.852 -9.657 1.00 0.00 N ATOM 1286 CA LYS 2 29 7.607 5.553 -9.845 1.00 0.00 C ATOM 1287 C LYS 2 29 8.034 4.994 -8.486 1.00 0.00 C ATOM 1288 O LYS 2 29 8.273 3.796 -8.351 1.00 0.00 O ATOM 1289 CB LYS 2 29 8.751 5.650 -10.857 1.00 0.00 C ATOM 1290 CG LYS 2 29 8.803 4.408 -11.748 1.00 0.00 C ATOM 1291 CD LYS 2 29 9.094 4.788 -13.201 1.00 0.00 C ATOM 1292 CE LYS 2 29 7.890 4.494 -14.097 1.00 0.00 C ATOM 1293 NZ LYS 2 29 8.267 4.598 -15.524 1.00 0.00 N ATOM 0 H LYS 2 29 6.943 7.170 -8.689 1.00 0.00 H new ATOM 0 HA LYS 2 29 6.894 4.846 -10.270 1.00 0.00 H new ATOM 0 HB2 LYS 2 29 8.621 6.539 -11.474 1.00 0.00 H new ATOM 0 HB3 LYS 2 29 9.698 5.764 -10.330 1.00 0.00 H new ATOM 0 HG2 LYS 2 29 9.573 3.728 -11.385 1.00 0.00 H new ATOM 0 HG3 LYS 2 29 7.854 3.875 -11.691 1.00 0.00 H new ATOM 0 HD2 LYS 2 29 9.346 5.847 -13.260 1.00 0.00 H new ATOM 0 HD3 LYS 2 29 9.962 4.234 -13.559 1.00 0.00 H new ATOM 0 HE2 LYS 2 29 7.509 3.494 -13.888 1.00 0.00 H new ATOM 0 HE3 LYS 2 29 7.085 5.195 -13.876 1.00 0.00 H new ATOM 0 HZ1 LYS 2 29 7.438 4.395 -16.118 1.00 0.00 H new ATOM 0 HZ2 LYS 2 29 8.609 5.560 -15.724 1.00 0.00 H new ATOM 0 HZ3 LYS 2 29 9.020 3.912 -15.735 1.00 0.00 H new ATOM 1307 N GLU 2 30 8.116 5.891 -7.513 1.00 0.00 N ATOM 1308 CA GLU 2 30 8.510 5.503 -6.170 1.00 0.00 C ATOM 1309 C GLU 2 30 7.274 5.343 -5.280 1.00 0.00 C ATOM 1310 O GLU 2 30 7.167 4.374 -4.531 1.00 0.00 O ATOM 1311 CB GLU 2 30 9.489 6.515 -5.572 1.00 0.00 C ATOM 1312 CG GLU 2 30 10.923 5.984 -5.619 1.00 0.00 C ATOM 1313 CD GLU 2 30 11.232 5.360 -6.982 1.00 0.00 C ATOM 1314 OE1 GLU 2 30 11.480 6.145 -7.923 1.00 0.00 O ATOM 1315 OE2 GLU 2 30 11.212 4.112 -7.053 1.00 0.00 O ATOM 0 H GLU 2 30 7.916 6.885 -7.629 1.00 0.00 H new ATOM 0 HA GLU 2 30 9.021 4.542 -6.225 1.00 0.00 H new ATOM 0 HB2 GLU 2 30 9.427 7.455 -6.121 1.00 0.00 H new ATOM 0 HB3 GLU 2 30 9.211 6.730 -4.540 1.00 0.00 H new ATOM 0 HG2 GLU 2 30 11.622 6.796 -5.420 1.00 0.00 H new ATOM 0 HG3 GLU 2 30 11.066 5.241 -4.834 1.00 0.00 H new ATOM 1322 N CYS 2 31 6.376 6.310 -5.392 1.00 0.00 N ATOM 1323 CA CYS 2 31 5.153 6.289 -4.607 1.00 0.00 C ATOM 1324 C CYS 2 31 4.425 4.973 -4.888 1.00 0.00 C ATOM 1325 O CYS 2 31 4.151 4.203 -3.969 1.00 0.00 O ATOM 1326 CB CYS 2 31 4.271 7.504 -4.901 1.00 0.00 C ATOM 1327 SG CYS 2 31 4.980 9.110 -4.384 1.00 0.00 S ATOM 0 H CYS 2 31 6.470 7.113 -6.014 1.00 0.00 H new ATOM 0 HA CYS 2 31 5.397 6.349 -3.546 1.00 0.00 H new ATOM 0 HB2 CYS 2 31 4.070 7.539 -5.972 1.00 0.00 H new ATOM 0 HB3 CYS 2 31 3.312 7.369 -4.401 1.00 0.00 H new ATOM 1332 N ASN 2 32 4.131 4.757 -6.162 1.00 0.00 N ATOM 1333 CA ASN 2 32 3.438 3.548 -6.576 1.00 0.00 C ATOM 1334 C ASN 2 32 4.281 2.329 -6.196 1.00 0.00 C ATOM 1335 O ASN 2 32 3.796 1.199 -6.230 1.00 0.00 O ATOM 1336 CB ASN 2 32 3.228 3.525 -8.090 1.00 0.00 C ATOM 1337 CG ASN 2 32 1.862 4.105 -8.463 1.00 0.00 C ATOM 1338 OD1 ASN 2 32 1.551 5.219 -7.809 1.00 0.00 O flip ATOM 1339 ND2 ASN 2 32 1.139 3.575 -9.291 1.00 0.00 N flip ATOM 0 H ASN 2 32 4.360 5.399 -6.921 1.00 0.00 H new ATOM 0 HA ASN 2 32 2.469 3.526 -6.078 1.00 0.00 H new ATOM 0 HB2 ASN 2 32 4.016 4.098 -8.579 1.00 0.00 H new ATOM 0 HB3 ASN 2 32 3.305 2.501 -8.456 1.00 0.00 H new ATOM 0 HD21 ASN 2 32 1.440 2.719 -9.757 1.00 0.00 H new ATOM 0 HD22 ASN 2 32 0.234 3.988 -9.517 1.00 0.00 H new ATOM 1346 N ASN 2 33 5.530 2.598 -5.845 1.00 0.00 N ATOM 1347 CA ASN 2 33 6.445 1.537 -5.459 1.00 0.00 C ATOM 1348 C ASN 2 33 6.340 1.302 -3.951 1.00 0.00 C ATOM 1349 O ASN 2 33 6.475 0.171 -3.485 1.00 0.00 O ATOM 1350 CB ASN 2 33 7.892 1.913 -5.780 1.00 0.00 C ATOM 1351 CG ASN 2 33 8.705 0.680 -6.178 1.00 0.00 C ATOM 1352 OD1 ASN 2 33 8.175 -0.386 -6.439 1.00 0.00 O ATOM 1353 ND2 ASN 2 33 10.018 0.886 -6.210 1.00 0.00 N ATOM 0 H ASN 2 33 5.930 3.536 -5.820 1.00 0.00 H new ATOM 0 HA ASN 2 33 6.174 0.640 -6.016 1.00 0.00 H new ATOM 0 HB2 ASN 2 33 7.911 2.642 -6.590 1.00 0.00 H new ATOM 0 HB3 ASN 2 33 8.349 2.389 -4.912 1.00 0.00 H new ATOM 0 HD21 ASN 2 33 10.648 0.125 -6.465 1.00 0.00 H new ATOM 0 HD22 ASN 2 33 10.396 1.805 -5.980 1.00 0.00 H new ATOM 1360 N ARG 2 34 6.100 2.387 -3.230 1.00 0.00 N ATOM 1361 CA ARG 2 34 5.976 2.313 -1.785 1.00 0.00 C ATOM 1362 C ARG 2 34 4.549 1.921 -1.394 1.00 0.00 C ATOM 1363 O ARG 2 34 4.328 1.354 -0.325 1.00 0.00 O ATOM 1364 CB ARG 2 34 6.326 3.652 -1.133 1.00 0.00 C ATOM 1365 CG ARG 2 34 7.554 4.280 -1.795 1.00 0.00 C ATOM 1366 CD ARG 2 34 8.682 4.482 -0.782 1.00 0.00 C ATOM 1367 NE ARG 2 34 9.960 3.991 -1.342 1.00 0.00 N ATOM 1368 CZ ARG 2 34 11.142 4.093 -0.720 1.00 0.00 C ATOM 1369 NH1 ARG 2 34 11.216 4.671 0.487 1.00 0.00 N ATOM 1370 NH2 ARG 2 34 12.251 3.619 -1.304 1.00 0.00 N ATOM 0 H ARG 2 34 5.988 3.323 -3.620 1.00 0.00 H new ATOM 0 HA ARG 2 34 6.675 1.555 -1.431 1.00 0.00 H new ATOM 0 HB2 ARG 2 34 5.478 4.332 -1.213 1.00 0.00 H new ATOM 0 HB3 ARG 2 34 6.517 3.504 -0.070 1.00 0.00 H new ATOM 0 HG2 ARG 2 34 7.900 3.641 -2.607 1.00 0.00 H new ATOM 0 HG3 ARG 2 34 7.282 5.238 -2.238 1.00 0.00 H new ATOM 0 HD2 ARG 2 34 8.769 5.538 -0.528 1.00 0.00 H new ATOM 0 HD3 ARG 2 34 8.452 3.950 0.141 1.00 0.00 H new ATOM 0 HE ARG 2 34 9.940 3.547 -2.260 1.00 0.00 H new ATOM 0 HH11 ARG 2 34 10.372 5.033 0.932 1.00 0.00 H new ATOM 0 HH12 ARG 2 34 12.116 4.749 0.961 1.00 0.00 H new ATOM 0 HH21 ARG 2 34 12.196 3.180 -2.223 1.00 0.00 H new ATOM 0 HH22 ARG 2 34 13.151 3.697 -0.830 1.00 0.00 H new ATOM 1384 N GLY 2 35 3.618 2.240 -2.281 1.00 0.00 N ATOM 1385 CA GLY 2 35 2.219 1.928 -2.043 1.00 0.00 C ATOM 1386 C GLY 2 35 1.381 3.205 -1.952 1.00 0.00 C ATOM 1387 O GLY 2 35 0.322 3.214 -1.327 1.00 0.00 O ATOM 0 H GLY 2 35 3.805 2.711 -3.166 1.00 0.00 H new ATOM 0 HA2 GLY 2 35 1.841 1.297 -2.848 1.00 0.00 H new ATOM 0 HA3 GLY 2 35 2.122 1.358 -1.119 1.00 0.00 H new ATOM 1391 N CYS 2 36 1.887 4.253 -2.586 1.00 0.00 N ATOM 1392 CA CYS 2 36 1.198 5.532 -2.585 1.00 0.00 C ATOM 1393 C CYS 2 36 0.780 5.854 -4.022 1.00 0.00 C ATOM 1394 O CYS 2 36 1.196 5.175 -4.959 1.00 0.00 O ATOM 1395 CB CYS 2 36 2.062 6.639 -1.980 1.00 0.00 C ATOM 1396 SG CYS 2 36 2.574 6.354 -0.246 1.00 0.00 S ATOM 0 H CYS 2 36 2.766 4.242 -3.104 1.00 0.00 H new ATOM 0 HA CYS 2 36 0.311 5.470 -1.955 1.00 0.00 H new ATOM 0 HB2 CYS 2 36 2.956 6.759 -2.593 1.00 0.00 H new ATOM 0 HB3 CYS 2 36 1.512 7.579 -2.032 1.00 0.00 H new ATOM 1401 N CYS 2 37 -0.037 6.889 -4.148 1.00 0.00 N ATOM 1402 CA CYS 2 37 -0.515 7.310 -5.454 1.00 0.00 C ATOM 1403 C CYS 2 37 0.051 8.701 -5.748 1.00 0.00 C ATOM 1404 O CYS 2 37 -0.077 9.612 -4.932 1.00 0.00 O ATOM 1405 CB CYS 2 37 -2.042 7.287 -5.532 1.00 0.00 C ATOM 1406 SG CYS 2 37 -2.721 7.056 -7.215 1.00 0.00 S ATOM 0 H CYS 2 37 -0.380 7.449 -3.367 1.00 0.00 H new ATOM 0 HA CYS 2 37 -0.168 6.610 -6.214 1.00 0.00 H new ATOM 0 HB2 CYS 2 37 -2.412 6.485 -4.893 1.00 0.00 H new ATOM 0 HB3 CYS 2 37 -2.427 8.222 -5.125 1.00 0.00 H new ATOM 1411 N PHE 2 38 0.664 8.820 -6.916 1.00 0.00 N ATOM 1412 CA PHE 2 38 1.249 10.086 -7.328 1.00 0.00 C ATOM 1413 C PHE 2 38 0.272 10.887 -8.191 1.00 0.00 C ATOM 1414 O PHE 2 38 -0.110 10.446 -9.274 1.00 0.00 O ATOM 1415 CB PHE 2 38 2.491 9.754 -8.158 1.00 0.00 C ATOM 1416 CG PHE 2 38 3.321 10.978 -8.551 1.00 0.00 C ATOM 1417 CD1 PHE 2 38 4.135 11.570 -7.637 1.00 0.00 C ATOM 1418 CD2 PHE 2 38 3.246 11.473 -9.816 1.00 0.00 C ATOM 1419 CE1 PHE 2 38 4.905 12.706 -8.001 1.00 0.00 C ATOM 1420 CE2 PHE 2 38 4.016 12.610 -10.180 1.00 0.00 C ATOM 1421 CZ PHE 2 38 4.829 13.202 -9.266 1.00 0.00 C ATOM 0 H PHE 2 38 0.769 8.062 -7.590 1.00 0.00 H new ATOM 0 HA PHE 2 38 1.493 10.686 -6.452 1.00 0.00 H new ATOM 0 HB2 PHE 2 38 3.121 9.067 -7.593 1.00 0.00 H new ATOM 0 HB3 PHE 2 38 2.182 9.231 -9.063 1.00 0.00 H new ATOM 0 HD1 PHE 2 38 4.196 11.176 -6.633 1.00 0.00 H new ATOM 0 HD2 PHE 2 38 2.601 11.002 -10.543 1.00 0.00 H new ATOM 0 HE1 PHE 2 38 5.551 13.176 -7.274 1.00 0.00 H new ATOM 0 HE2 PHE 2 38 3.955 13.004 -11.184 1.00 0.00 H new ATOM 0 HZ PHE 2 38 5.415 14.066 -9.543 1.00 0.00 H new ATOM 1431 N ASP 2 39 -0.103 12.049 -7.678 1.00 0.00 N ATOM 1432 CA ASP 2 39 -1.029 12.916 -8.389 1.00 0.00 C ATOM 1433 C ASP 2 39 -0.252 13.770 -9.393 1.00 0.00 C ATOM 1434 O ASP 2 39 -0.191 13.439 -10.577 1.00 0.00 O ATOM 1435 CB ASP 2 39 -1.749 13.860 -7.424 1.00 0.00 C ATOM 1436 CG ASP 2 39 -2.676 14.880 -8.089 1.00 0.00 C ATOM 1437 OD1 ASP 2 39 -3.685 14.432 -8.676 1.00 0.00 O ATOM 1438 OD2 ASP 2 39 -2.355 16.084 -7.995 1.00 0.00 O ATOM 0 H ASP 2 39 0.217 12.411 -6.780 1.00 0.00 H new ATOM 0 HA ASP 2 39 -1.762 12.286 -8.893 1.00 0.00 H new ATOM 0 HB2 ASP 2 39 -2.333 13.263 -6.723 1.00 0.00 H new ATOM 0 HB3 ASP 2 39 -1.002 14.397 -6.840 1.00 0.00 H new ATOM 1443 N SER 2 40 0.321 14.851 -8.885 1.00 0.00 N ATOM 1444 CA SER 2 40 1.091 15.754 -9.724 1.00 0.00 C ATOM 1445 C SER 2 40 0.170 16.809 -10.339 1.00 0.00 C ATOM 1446 O SER 2 40 0.640 17.827 -10.845 1.00 0.00 O ATOM 1447 CB SER 2 40 1.831 14.989 -10.823 1.00 0.00 C ATOM 1448 OG SER 2 40 2.989 15.687 -11.272 1.00 0.00 O ATOM 0 H SER 2 40 0.268 15.122 -7.903 1.00 0.00 H new ATOM 0 HA SER 2 40 1.835 16.249 -9.100 1.00 0.00 H new ATOM 0 HB2 SER 2 40 2.122 14.007 -10.449 1.00 0.00 H new ATOM 0 HB3 SER 2 40 1.159 14.823 -11.665 1.00 0.00 H new ATOM 0 HG SER 2 40 3.781 15.125 -11.141 1.00 0.00 H new ATOM 1454 N ARG 2 41 -1.123 16.530 -10.274 1.00 0.00 N ATOM 1455 CA ARG 2 41 -2.114 17.443 -10.819 1.00 0.00 C ATOM 1456 C ARG 2 41 -2.095 18.767 -10.051 1.00 0.00 C ATOM 1457 O ARG 2 41 -2.166 19.838 -10.652 1.00 0.00 O ATOM 1458 CB ARG 2 41 -3.518 16.840 -10.745 1.00 0.00 C ATOM 1459 CG ARG 2 41 -3.611 15.563 -11.584 1.00 0.00 C ATOM 1460 CD ARG 2 41 -4.931 15.511 -12.357 1.00 0.00 C ATOM 1461 NE ARG 2 41 -4.664 15.340 -13.802 1.00 0.00 N ATOM 1462 CZ ARG 2 41 -4.282 14.185 -14.365 1.00 0.00 C ATOM 1463 NH1 ARG 2 41 -4.119 13.092 -13.605 1.00 0.00 N ATOM 1464 NH2 ARG 2 41 -4.063 14.122 -15.685 1.00 0.00 N ATOM 0 H ARG 2 41 -1.508 15.685 -9.852 1.00 0.00 H new ATOM 0 HA ARG 2 41 -1.861 17.621 -11.864 1.00 0.00 H new ATOM 0 HB2 ARG 2 41 -3.768 16.617 -9.708 1.00 0.00 H new ATOM 0 HB3 ARG 2 41 -4.249 17.567 -11.100 1.00 0.00 H new ATOM 0 HG2 ARG 2 41 -2.775 15.520 -12.282 1.00 0.00 H new ATOM 0 HG3 ARG 2 41 -3.530 14.691 -10.936 1.00 0.00 H new ATOM 0 HD2 ARG 2 41 -5.544 14.687 -11.992 1.00 0.00 H new ATOM 0 HD3 ARG 2 41 -5.497 16.427 -12.189 1.00 0.00 H new ATOM 0 HE ARG 2 41 -4.778 16.152 -14.408 1.00 0.00 H new ATOM 0 HH11 ARG 2 41 -4.286 13.140 -12.600 1.00 0.00 H new ATOM 0 HH12 ARG 2 41 -3.828 12.213 -14.032 1.00 0.00 H new ATOM 0 HH21 ARG 2 41 -4.187 14.953 -16.263 1.00 0.00 H new ATOM 0 HH22 ARG 2 41 -3.772 13.243 -16.112 1.00 0.00 H new ATOM 1478 N ILE 2 42 -1.997 18.650 -8.735 1.00 0.00 N ATOM 1479 CA ILE 2 42 -1.968 19.824 -7.879 1.00 0.00 C ATOM 1480 C ILE 2 42 -0.678 19.815 -7.054 1.00 0.00 C ATOM 1481 O ILE 2 42 -0.510 18.978 -6.169 1.00 0.00 O ATOM 1482 CB ILE 2 42 -3.240 19.902 -7.033 1.00 0.00 C ATOM 1483 CG1 ILE 2 42 -4.412 19.222 -7.741 1.00 0.00 C ATOM 1484 CG2 ILE 2 42 -3.559 21.351 -6.658 1.00 0.00 C ATOM 1485 CD1 ILE 2 42 -5.722 19.466 -6.991 1.00 0.00 C ATOM 0 H ILE 2 42 -1.937 17.760 -8.240 1.00 0.00 H new ATOM 0 HA ILE 2 42 -1.957 20.734 -8.479 1.00 0.00 H new ATOM 0 HB ILE 2 42 -3.067 19.359 -6.104 1.00 0.00 H new ATOM 0 HG12 ILE 2 42 -4.496 19.601 -8.759 1.00 0.00 H new ATOM 0 HG13 ILE 2 42 -4.225 18.151 -7.814 1.00 0.00 H new ATOM 0 HG21 ILE 2 42 -4.468 21.380 -6.057 1.00 0.00 H new ATOM 0 HG22 ILE 2 42 -2.731 21.769 -6.085 1.00 0.00 H new ATOM 0 HG23 ILE 2 42 -3.705 21.938 -7.565 1.00 0.00 H new ATOM 0 HD11 ILE 2 42 -6.539 18.972 -7.516 1.00 0.00 H new ATOM 0 HD12 ILE 2 42 -5.643 19.064 -5.981 1.00 0.00 H new ATOM 0 HD13 ILE 2 42 -5.918 20.537 -6.941 1.00 0.00 H new ATOM 1497 N PRO 2 43 0.220 20.782 -7.382 1.00 0.00 N ATOM 1498 CA PRO 2 43 1.488 20.893 -6.681 1.00 0.00 C ATOM 1499 C PRO 2 43 1.293 21.498 -5.288 1.00 0.00 C ATOM 1500 O PRO 2 43 2.237 21.572 -4.503 1.00 0.00 O ATOM 1501 CB PRO 2 43 2.363 21.749 -7.583 1.00 0.00 C ATOM 1502 CG PRO 2 43 1.411 22.467 -8.525 1.00 0.00 C ATOM 1503 CD PRO 2 43 0.053 21.791 -8.424 1.00 0.00 C ATOM 0 HA PRO 2 43 1.954 19.925 -6.499 1.00 0.00 H new ATOM 0 HB2 PRO 2 43 2.947 22.461 -7.000 1.00 0.00 H new ATOM 0 HB3 PRO 2 43 3.072 21.134 -8.138 1.00 0.00 H new ATOM 0 HG2 PRO 2 43 1.333 23.521 -8.258 1.00 0.00 H new ATOM 0 HG3 PRO 2 43 1.783 22.424 -9.549 1.00 0.00 H new ATOM 0 HD2 PRO 2 43 -0.727 22.506 -8.162 1.00 0.00 H new ATOM 0 HD3 PRO 2 43 -0.236 21.338 -9.372 1.00 0.00 H new ATOM 1511 N GLY 2 44 0.064 21.914 -5.026 1.00 0.00 N ATOM 1512 CA GLY 2 44 -0.267 22.508 -3.742 1.00 0.00 C ATOM 1513 C GLY 2 44 -0.777 21.450 -2.761 1.00 0.00 C ATOM 1514 O GLY 2 44 -1.002 21.743 -1.588 1.00 0.00 O ATOM 0 H GLY 2 44 -0.716 21.852 -5.681 1.00 0.00 H new ATOM 0 HA2 GLY 2 44 0.613 22.999 -3.327 1.00 0.00 H new ATOM 0 HA3 GLY 2 44 -1.026 23.278 -3.879 1.00 0.00 H new ATOM 1518 N VAL 2 45 -0.942 20.241 -3.278 1.00 0.00 N ATOM 1519 CA VAL 2 45 -1.421 19.138 -2.463 1.00 0.00 C ATOM 1520 C VAL 2 45 -0.385 18.012 -2.478 1.00 0.00 C ATOM 1521 O VAL 2 45 0.671 18.144 -3.095 1.00 0.00 O ATOM 1522 CB VAL 2 45 -2.799 18.688 -2.949 1.00 0.00 C ATOM 1523 CG1 VAL 2 45 -3.647 19.887 -3.382 1.00 0.00 C ATOM 1524 CG2 VAL 2 45 -2.676 17.668 -4.082 1.00 0.00 C ATOM 0 H VAL 2 45 -0.752 20.001 -4.251 1.00 0.00 H new ATOM 0 HA VAL 2 45 -1.544 19.454 -1.427 1.00 0.00 H new ATOM 0 HB VAL 2 45 -3.305 18.203 -2.114 1.00 0.00 H new ATOM 0 HG11 VAL 2 45 -4.622 19.539 -3.723 1.00 0.00 H new ATOM 0 HG12 VAL 2 45 -3.778 20.564 -2.538 1.00 0.00 H new ATOM 0 HG13 VAL 2 45 -3.145 20.413 -4.194 1.00 0.00 H new ATOM 0 HG21 VAL 2 45 -3.671 17.365 -4.408 1.00 0.00 H new ATOM 0 HG22 VAL 2 45 -2.140 18.116 -4.919 1.00 0.00 H new ATOM 0 HG23 VAL 2 45 -2.129 16.794 -3.727 1.00 0.00 H new ATOM 1534 N PRO 2 46 -0.733 16.903 -1.772 1.00 0.00 N ATOM 1535 CA PRO 2 46 0.155 15.754 -1.699 1.00 0.00 C ATOM 1536 C PRO 2 46 0.144 14.967 -3.011 1.00 0.00 C ATOM 1537 O PRO 2 46 -0.891 14.434 -3.409 1.00 0.00 O ATOM 1538 CB PRO 2 46 -0.347 14.944 -0.516 1.00 0.00 C ATOM 1539 CG PRO 2 46 -1.768 15.419 -0.258 1.00 0.00 C ATOM 1540 CD PRO 2 46 -1.974 16.712 -1.030 1.00 0.00 C ATOM 0 HA PRO 2 46 1.198 16.037 -1.557 1.00 0.00 H new ATOM 0 HB2 PRO 2 46 -0.326 13.877 -0.736 1.00 0.00 H new ATOM 0 HB3 PRO 2 46 0.282 15.101 0.360 1.00 0.00 H new ATOM 0 HG2 PRO 2 46 -2.487 14.665 -0.578 1.00 0.00 H new ATOM 0 HG3 PRO 2 46 -1.929 15.581 0.808 1.00 0.00 H new ATOM 0 HD2 PRO 2 46 -2.830 16.640 -1.701 1.00 0.00 H new ATOM 0 HD3 PRO 2 46 -2.166 17.548 -0.358 1.00 0.00 H new ATOM 1548 N TRP 2 47 1.305 14.919 -3.646 1.00 0.00 N ATOM 1549 CA TRP 2 47 1.441 14.206 -4.905 1.00 0.00 C ATOM 1550 C TRP 2 47 1.896 12.779 -4.592 1.00 0.00 C ATOM 1551 O TRP 2 47 2.581 12.151 -5.399 1.00 0.00 O ATOM 1552 CB TRP 2 47 2.390 14.942 -5.852 1.00 0.00 C ATOM 1553 CG TRP 2 47 2.808 16.330 -5.361 1.00 0.00 C ATOM 1554 CD1 TRP 2 47 2.116 17.475 -5.438 1.00 0.00 C ATOM 1555 CD2 TRP 2 47 4.048 16.673 -4.709 1.00 0.00 C ATOM 1556 NE1 TRP 2 47 2.818 18.527 -4.886 1.00 0.00 N ATOM 1557 CE2 TRP 2 47 4.029 18.025 -4.429 1.00 0.00 C ATOM 1558 CE3 TRP 2 47 5.150 15.869 -4.368 1.00 0.00 C ATOM 1559 CZ2 TRP 2 47 5.085 18.690 -3.795 1.00 0.00 C ATOM 1560 CZ3 TRP 2 47 6.196 16.550 -3.734 1.00 0.00 C ATOM 1561 CH2 TRP 2 47 6.194 17.910 -3.445 1.00 0.00 C ATOM 0 H TRP 2 47 2.161 15.362 -3.312 1.00 0.00 H new ATOM 0 HA TRP 2 47 0.486 14.161 -5.428 1.00 0.00 H new ATOM 0 HB2 TRP 2 47 3.284 14.335 -5.998 1.00 0.00 H new ATOM 0 HB3 TRP 2 47 1.910 15.042 -6.826 1.00 0.00 H new ATOM 0 HD1 TRP 2 47 1.133 17.563 -5.877 1.00 0.00 H new ATOM 0 HE1 TRP 2 47 2.505 19.496 -4.825 1.00 0.00 H new ATOM 0 HE3 TRP 2 47 5.187 14.810 -4.578 1.00 0.00 H new ATOM 0 HZ2 TRP 2 47 5.046 19.749 -3.587 1.00 0.00 H new ATOM 0 HZ3 TRP 2 47 7.067 15.978 -3.449 1.00 0.00 H new ATOM 0 HH2 TRP 2 47 7.043 18.362 -2.953 1.00 0.00 H new ATOM 1572 N CYS 2 48 1.498 12.307 -3.420 1.00 0.00 N ATOM 1573 CA CYS 2 48 1.856 10.966 -2.991 1.00 0.00 C ATOM 1574 C CYS 2 48 1.051 10.632 -1.734 1.00 0.00 C ATOM 1575 O CYS 2 48 1.331 11.157 -0.657 1.00 0.00 O ATOM 1576 CB CYS 2 48 3.362 10.830 -2.758 1.00 0.00 C ATOM 1577 SG CYS 2 48 3.952 9.113 -2.528 1.00 0.00 S ATOM 0 H CYS 2 48 0.930 12.830 -2.753 1.00 0.00 H new ATOM 0 HA CYS 2 48 1.611 10.252 -3.778 1.00 0.00 H new ATOM 0 HB2 CYS 2 48 3.888 11.269 -3.606 1.00 0.00 H new ATOM 0 HB3 CYS 2 48 3.633 11.413 -1.878 1.00 0.00 H new ATOM 1582 N PHE 2 49 0.068 9.762 -1.913 1.00 0.00 N ATOM 1583 CA PHE 2 49 -0.779 9.352 -0.806 1.00 0.00 C ATOM 1584 C PHE 2 49 -1.238 7.902 -0.975 1.00 0.00 C ATOM 1585 O PHE 2 49 -0.727 7.181 -1.830 1.00 0.00 O ATOM 1586 CB PHE 2 49 -2.005 10.268 -0.818 1.00 0.00 C ATOM 1587 CG PHE 2 49 -2.409 10.748 -2.213 1.00 0.00 C ATOM 1588 CD1 PHE 2 49 -1.614 11.621 -2.888 1.00 0.00 C ATOM 1589 CD2 PHE 2 49 -3.563 10.302 -2.779 1.00 0.00 C ATOM 1590 CE1 PHE 2 49 -1.989 12.068 -4.183 1.00 0.00 C ATOM 1591 CE2 PHE 2 49 -3.937 10.747 -4.074 1.00 0.00 C ATOM 1592 CZ PHE 2 49 -3.143 11.622 -4.749 1.00 0.00 C ATOM 0 H PHE 2 49 -0.161 9.330 -2.808 1.00 0.00 H new ATOM 0 HA PHE 2 49 -0.227 9.423 0.131 1.00 0.00 H new ATOM 0 HB2 PHE 2 49 -2.846 9.739 -0.369 1.00 0.00 H new ATOM 0 HB3 PHE 2 49 -1.803 11.136 -0.190 1.00 0.00 H new ATOM 0 HD1 PHE 2 49 -0.697 11.974 -2.439 1.00 0.00 H new ATOM 0 HD2 PHE 2 49 -4.195 9.609 -2.243 1.00 0.00 H new ATOM 0 HE1 PHE 2 49 -1.358 12.762 -4.718 1.00 0.00 H new ATOM 0 HE2 PHE 2 49 -4.852 10.391 -4.524 1.00 0.00 H new ATOM 0 HZ PHE 2 49 -3.429 11.962 -5.733 1.00 0.00 H new ATOM 1602 N LYS 2 50 -2.198 7.519 -0.145 1.00 0.00 N ATOM 1603 CA LYS 2 50 -2.731 6.168 -0.191 1.00 0.00 C ATOM 1604 C LYS 2 50 -4.228 6.227 -0.501 1.00 0.00 C ATOM 1605 O LYS 2 50 -5.055 5.936 0.362 1.00 0.00 O ATOM 1606 CB LYS 2 50 -2.398 5.416 1.100 1.00 0.00 C ATOM 1607 CG LYS 2 50 -1.424 6.217 1.966 1.00 0.00 C ATOM 1608 CD LYS 2 50 0.011 6.072 1.454 1.00 0.00 C ATOM 1609 CE LYS 2 50 1.017 6.555 2.501 1.00 0.00 C ATOM 1610 NZ LYS 2 50 0.490 6.334 3.866 1.00 0.00 N ATOM 0 H LYS 2 50 -2.620 8.120 0.563 1.00 0.00 H new ATOM 0 HA LYS 2 50 -2.261 5.599 -0.993 1.00 0.00 H new ATOM 0 HB2 LYS 2 50 -3.314 5.224 1.659 1.00 0.00 H new ATOM 0 HB3 LYS 2 50 -1.962 4.447 0.858 1.00 0.00 H new ATOM 0 HG2 LYS 2 50 -1.710 7.269 1.964 1.00 0.00 H new ATOM 0 HG3 LYS 2 50 -1.482 5.873 2.999 1.00 0.00 H new ATOM 0 HD2 LYS 2 50 0.210 5.029 1.207 1.00 0.00 H new ATOM 0 HD3 LYS 2 50 0.133 6.646 0.535 1.00 0.00 H new ATOM 0 HE2 LYS 2 50 1.961 6.024 2.379 1.00 0.00 H new ATOM 0 HE3 LYS 2 50 1.225 7.615 2.352 1.00 0.00 H new ATOM 0 HZ1 LYS 2 50 1.252 6.474 4.559 1.00 0.00 H new ATOM 0 HZ2 LYS 2 50 -0.278 7.009 4.055 1.00 0.00 H new ATOM 0 HZ3 LYS 2 50 0.125 5.363 3.944 1.00 0.00 H new ATOM 1624 N PRO 2 51 -4.539 6.614 -1.767 1.00 0.00 N ATOM 1625 CA PRO 2 51 -5.922 6.714 -2.201 1.00 0.00 C ATOM 1626 C PRO 2 51 -6.522 5.327 -2.441 1.00 0.00 C ATOM 1627 O PRO 2 51 -6.978 4.673 -1.503 1.00 0.00 O ATOM 1628 CB PRO 2 51 -5.878 7.568 -3.457 1.00 0.00 C ATOM 1629 CG PRO 2 51 -4.438 7.527 -3.940 1.00 0.00 C ATOM 1630 CD PRO 2 51 -3.584 6.965 -2.815 1.00 0.00 C ATOM 0 HA PRO 2 51 -6.568 7.168 -1.449 1.00 0.00 H new ATOM 0 HB2 PRO 2 51 -6.556 7.180 -4.217 1.00 0.00 H new ATOM 0 HB3 PRO 2 51 -6.190 8.591 -3.245 1.00 0.00 H new ATOM 0 HG2 PRO 2 51 -4.352 6.905 -4.831 1.00 0.00 H new ATOM 0 HG3 PRO 2 51 -4.099 8.526 -4.214 1.00 0.00 H new ATOM 0 HD2 PRO 2 51 -3.019 6.093 -3.144 1.00 0.00 H new ATOM 0 HD3 PRO 2 51 -2.860 7.700 -2.462 1.00 0.00 H new ATOM 1638 N LEU 2 52 -6.505 4.919 -3.701 1.00 0.00 N ATOM 1639 CA LEU 2 52 -7.042 3.623 -4.076 1.00 0.00 C ATOM 1640 C LEU 2 52 -5.889 2.635 -4.274 1.00 0.00 C ATOM 1641 O LEU 2 52 -5.898 1.847 -5.217 1.00 0.00 O ATOM 1642 CB LEU 2 52 -7.955 3.754 -5.296 1.00 0.00 C ATOM 1643 CG LEU 2 52 -7.278 3.605 -6.660 1.00 0.00 C ATOM 1644 CD1 LEU 2 52 -7.686 2.293 -7.334 1.00 0.00 C ATOM 1645 CD2 LEU 2 52 -7.560 4.817 -7.548 1.00 0.00 C ATOM 0 H LEU 2 52 -6.127 5.464 -4.476 1.00 0.00 H new ATOM 0 HA LEU 2 52 -7.669 3.226 -3.278 1.00 0.00 H new ATOM 0 HB2 LEU 2 52 -8.741 3.003 -5.219 1.00 0.00 H new ATOM 0 HB3 LEU 2 52 -8.441 4.729 -5.258 1.00 0.00 H new ATOM 0 HG LEU 2 52 -6.200 3.565 -6.503 1.00 0.00 H new ATOM 0 HD11 LEU 2 52 -7.191 2.212 -8.302 1.00 0.00 H new ATOM 0 HD12 LEU 2 52 -7.392 1.453 -6.704 1.00 0.00 H new ATOM 0 HD13 LEU 2 52 -8.767 2.278 -7.477 1.00 0.00 H new ATOM 0 HD21 LEU 2 52 -7.067 4.685 -8.511 1.00 0.00 H new ATOM 0 HD22 LEU 2 52 -8.635 4.914 -7.701 1.00 0.00 H new ATOM 0 HD23 LEU 2 52 -7.179 5.718 -7.066 1.00 0.00 H new ATOM 1657 N GLN 2 53 -4.925 2.712 -3.368 1.00 0.00 N ATOM 1658 CA GLN 2 53 -3.769 1.834 -3.431 1.00 0.00 C ATOM 1659 C GLN 2 53 -4.213 0.382 -3.612 1.00 0.00 C ATOM 1660 O GLN 2 53 -3.425 -0.464 -4.031 1.00 0.00 O ATOM 1661 CB GLN 2 53 -2.896 1.989 -2.183 1.00 0.00 C ATOM 1662 CG GLN 2 53 -2.358 3.416 -2.063 1.00 0.00 C ATOM 1663 CD GLN 2 53 -1.504 3.784 -3.278 1.00 0.00 C ATOM 1664 OE1 GLN 2 53 -1.483 4.916 -3.735 1.00 0.00 O ATOM 1665 NE2 GLN 2 53 -0.802 2.769 -3.774 1.00 0.00 N ATOM 0 H GLN 2 53 -4.921 3.368 -2.587 1.00 0.00 H new ATOM 0 HA GLN 2 53 -3.168 2.119 -4.294 1.00 0.00 H new ATOM 0 HB2 GLN 2 53 -3.477 1.740 -1.295 1.00 0.00 H new ATOM 0 HB3 GLN 2 53 -2.064 1.286 -2.227 1.00 0.00 H new ATOM 0 HG2 GLN 2 53 -3.189 4.115 -1.973 1.00 0.00 H new ATOM 0 HG3 GLN 2 53 -1.763 3.509 -1.154 1.00 0.00 H new ATOM 0 HE21 GLN 2 53 -0.865 1.846 -3.343 1.00 0.00 H new ATOM 0 HE22 GLN 2 53 -0.200 2.913 -4.585 1.00 0.00 H new ATOM 1674 N GLU 2 54 -5.475 0.137 -3.290 1.00 0.00 N ATOM 1675 CA GLU 2 54 -6.033 -1.198 -3.413 1.00 0.00 C ATOM 1676 C GLU 2 54 -5.593 -1.838 -4.732 1.00 0.00 C ATOM 1677 O GLU 2 54 -5.571 -3.062 -4.854 1.00 0.00 O ATOM 1678 CB GLU 2 54 -7.559 -1.167 -3.301 1.00 0.00 C ATOM 1679 CG GLU 2 54 -8.011 -1.521 -1.882 1.00 0.00 C ATOM 1680 CD GLU 2 54 -9.416 -0.981 -1.605 1.00 0.00 C ATOM 1681 OE1 GLU 2 54 -9.887 -0.171 -2.432 1.00 0.00 O ATOM 1682 OE2 GLU 2 54 -9.987 -1.390 -0.570 1.00 0.00 O ATOM 0 H GLU 2 54 -6.127 0.841 -2.944 1.00 0.00 H new ATOM 0 HA GLU 2 54 -5.653 -1.806 -2.592 1.00 0.00 H new ATOM 0 HB2 GLU 2 54 -7.927 -0.176 -3.567 1.00 0.00 H new ATOM 0 HB3 GLU 2 54 -7.994 -1.870 -4.011 1.00 0.00 H new ATOM 0 HG2 GLU 2 54 -8.001 -2.603 -1.752 1.00 0.00 H new ATOM 0 HG3 GLU 2 54 -7.309 -1.107 -1.159 1.00 0.00 H new ATOM 1689 N ALA 2 55 -5.255 -0.982 -5.683 1.00 0.00 N ATOM 1690 CA ALA 2 55 -4.817 -1.448 -6.988 1.00 0.00 C ATOM 1691 C ALA 2 55 -3.923 -2.678 -6.812 1.00 0.00 C ATOM 1692 O ALA 2 55 -4.388 -3.809 -6.933 1.00 0.00 O ATOM 1693 CB ALA 2 55 -4.106 -0.311 -7.725 1.00 0.00 C ATOM 0 H ALA 2 55 -5.275 0.032 -5.577 1.00 0.00 H new ATOM 0 HA ALA 2 55 -5.672 -1.746 -7.596 1.00 0.00 H new ATOM 0 HB1 ALA 2 55 -3.778 -0.661 -8.704 1.00 0.00 H new ATOM 0 HB2 ALA 2 55 -4.792 0.526 -7.851 1.00 0.00 H new ATOM 0 HB3 ALA 2 55 -3.241 0.013 -7.146 1.00 0.00 H new ATOM 1699 N GLU 2 56 -2.656 -2.413 -6.529 1.00 0.00 N ATOM 1700 CA GLU 2 56 -1.693 -3.483 -6.335 1.00 0.00 C ATOM 1701 C GLU 2 56 -1.206 -3.502 -4.885 1.00 0.00 C ATOM 1702 O GLU 2 56 -0.213 -4.156 -4.569 1.00 0.00 O ATOM 1703 CB GLU 2 56 -0.519 -3.347 -7.307 1.00 0.00 C ATOM 1704 CG GLU 2 56 -0.943 -3.707 -8.733 1.00 0.00 C ATOM 1705 CD GLU 2 56 0.273 -3.824 -9.653 1.00 0.00 C ATOM 1706 OE1 GLU 2 56 1.170 -4.624 -9.309 1.00 0.00 O ATOM 1707 OE2 GLU 2 56 0.280 -3.111 -10.680 1.00 0.00 O ATOM 0 H GLU 2 56 -2.274 -1.472 -6.429 1.00 0.00 H new ATOM 0 HA GLU 2 56 -2.186 -4.432 -6.544 1.00 0.00 H new ATOM 0 HB2 GLU 2 56 -0.139 -2.326 -7.284 1.00 0.00 H new ATOM 0 HB3 GLU 2 56 0.297 -3.998 -6.991 1.00 0.00 H new ATOM 0 HG2 GLU 2 56 -1.491 -4.649 -8.726 1.00 0.00 H new ATOM 0 HG3 GLU 2 56 -1.622 -2.946 -9.117 1.00 0.00 H new ATOM 1714 N CYS 2 57 -1.926 -2.778 -4.043 1.00 0.00 N ATOM 1715 CA CYS 2 57 -1.580 -2.703 -2.634 1.00 0.00 C ATOM 1716 C CYS 2 57 -2.340 -3.805 -1.893 1.00 0.00 C ATOM 1717 O CYS 2 57 -1.737 -4.766 -1.416 1.00 0.00 O ATOM 1718 CB CYS 2 57 -1.872 -1.318 -2.052 1.00 0.00 C ATOM 1719 SG CYS 2 57 -0.999 -0.944 -0.487 1.00 0.00 S ATOM 0 H CYS 2 57 -2.749 -2.237 -4.309 1.00 0.00 H new ATOM 0 HA CYS 2 57 -0.508 -2.857 -2.512 1.00 0.00 H new ATOM 0 HB2 CYS 2 57 -1.602 -0.564 -2.792 1.00 0.00 H new ATOM 0 HB3 CYS 2 57 -2.945 -1.229 -1.883 1.00 0.00 H new ATOM 1724 N THR 2 58 -3.651 -3.630 -1.820 1.00 0.00 N ATOM 1725 CA THR 2 58 -4.499 -4.598 -1.146 1.00 0.00 C ATOM 1726 C THR 2 58 -4.250 -6.002 -1.698 1.00 0.00 C ATOM 1727 O THR 2 58 -4.377 -6.989 -0.975 1.00 0.00 O ATOM 1728 CB THR 2 58 -5.951 -4.136 -1.290 1.00 0.00 C ATOM 1729 OG1 THR 2 58 -6.685 -5.035 -0.463 1.00 0.00 O ATOM 1730 CG2 THR 2 58 -6.506 -4.382 -2.694 1.00 0.00 C ATOM 0 H THR 2 58 -4.147 -2.832 -2.217 1.00 0.00 H new ATOM 0 HA THR 2 58 -4.265 -4.656 -0.083 1.00 0.00 H new ATOM 0 HB THR 2 58 -6.020 -3.074 -1.054 1.00 0.00 H new ATOM 0 HG1 THR 2 58 -7.637 -4.807 -0.496 1.00 0.00 H new ATOM 0 HG21 THR 2 58 -7.539 -4.037 -2.743 1.00 0.00 H new ATOM 0 HG22 THR 2 58 -5.906 -3.837 -3.423 1.00 0.00 H new ATOM 0 HG23 THR 2 58 -6.469 -5.448 -2.918 1.00 0.00 H new ATOM 1738 N PHE 2 59 -3.900 -6.047 -2.976 1.00 0.00 N ATOM 1739 CA PHE 2 59 -3.632 -7.314 -3.633 1.00 0.00 C ATOM 1740 C PHE 2 59 -2.932 -8.288 -2.684 1.00 0.00 C ATOM 1741 O PHE 2 59 -2.177 -9.154 -3.123 1.00 0.00 O ATOM 1742 CB PHE 2 59 -2.705 -7.017 -4.815 1.00 0.00 C ATOM 1743 CG PHE 2 59 -3.273 -7.436 -6.172 1.00 0.00 C ATOM 1744 CD1 PHE 2 59 -4.410 -6.854 -6.642 1.00 0.00 C ATOM 1745 CD2 PHE 2 59 -2.643 -8.389 -6.909 1.00 0.00 C ATOM 1746 CE1 PHE 2 59 -4.937 -7.242 -7.901 1.00 0.00 C ATOM 1747 CE2 PHE 2 59 -3.170 -8.777 -8.168 1.00 0.00 C ATOM 1748 CZ PHE 2 59 -4.307 -8.196 -8.639 1.00 0.00 C ATOM 0 H PHE 2 59 -3.796 -5.226 -3.573 1.00 0.00 H new ATOM 0 HA PHE 2 59 -4.568 -7.772 -3.954 1.00 0.00 H new ATOM 0 HB2 PHE 2 59 -2.492 -5.948 -4.836 1.00 0.00 H new ATOM 0 HB3 PHE 2 59 -1.756 -7.529 -4.656 1.00 0.00 H new ATOM 0 HD1 PHE 2 59 -4.911 -6.097 -6.057 1.00 0.00 H new ATOM 0 HD2 PHE 2 59 -1.741 -8.851 -6.536 1.00 0.00 H new ATOM 0 HE1 PHE 2 59 -5.839 -6.780 -8.274 1.00 0.00 H new ATOM 0 HE2 PHE 2 59 -2.669 -9.534 -8.753 1.00 0.00 H new ATOM 0 HZ PHE 2 59 -4.709 -8.492 -9.597 1.00 0.00 H new TER 1758 PHE 2 59