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+ 180:sc= 0 (180deg=0) USER MOD Single : 1 3 TYR OH : rot 180:sc= 0 USER MOD Single : 1 7 SER OG : rot -67:sc= 0.657 USER MOD Single : 1 9 ASN :FLIP amide:sc= 0 F(o=-0.72,f=0) USER MOD Single : 1 10 GLN :FLIP amide:sc= -3.55 F(o=-8.6!,f=-3.5) USER MOD Single : 1 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 23 TYR OH : rot 30:sc= -1.3 USER MOD Single : 1 25 HIS : no HD1:sc= -0.454 X(o=-0.45,f=-0.2) USER MOD Single : 1 27 THR OG1 : rot 180:sc= -0.0834 USER MOD Single : 1 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 32 ASN :FLIP amide:sc= -0.823 F(o=-3.9!,f=-0.82) USER MOD Single : 1 33 ASN : amide:sc= -0.0772 X(o=-0.077,f=-0.076) USER MOD Single : 1 40 SER OG : rot 180:sc= 0 USER MOD Single : 1 50 LYS NZ :NH3+ -146:sc= -1.88 (180deg=-5.62!) USER MOD Single : 1 53 GLN : amide:sc= -13! C(o=-13!,f=-19!) USER MOD Single : 1 58 THR OG1 : rot -100:sc= -2.33 USER MOD Single : 2 1 GLU N :NH3+ -112:sc= 0.691 (180deg=-0.042) USER MOD Single : 2 3 TYR OH : rot 180:sc= 0 USER MOD Single : 2 7 SER OG : rot -67:sc= 0.00945 USER MOD Single : 2 9 ASN : amide:sc= 0.0335 X(o=0.034,f=0) USER MOD Single : 2 10 GLN :FLIP amide:sc= -6.79 F(o=-10!,f=-6.8) USER MOD Single : 2 16 LYS NZ :NH3+ 148:sc= 0.735 (180deg=-0.0457) USER MOD Single : 2 23 TYR OH : rot -165:sc= -1.19 USER MOD Single : 2 25 HIS : no HD1:sc= -0.0157 X(o=-0.016,f=-0.15) USER MOD Single : 2 27 THR OG1 : rot 60:sc= 0.208 USER MOD Single : 2 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 2 32 ASN :FLIP amide:sc= -0.318 F(o=-1.6,f=-0.32) USER MOD Single : 2 33 ASN : amide:sc= -0.0773 X(o=-0.077,f=-0.058) USER MOD Single : 2 40 SER OG : rot 180:sc= 0 USER MOD Single : 2 50 LYS NZ :NH3+ -166:sc= -7.28! (180deg=-8.48!) USER MOD Single : 2 53 GLN : amide:sc= -13.8! C(o=-14!,f=-21!) USER MOD Single : 2 58 THR OG1 : rot 180:sc= -3.44! USER MOD ----------------------------------------------------------------- ATOM 1 N GLU 1 1 -10.996 -13.854 -4.688 1.00 0.00 N ATOM 2 CA GLU 1 1 -12.431 -14.048 -4.793 1.00 0.00 C ATOM 3 C GLU 1 1 -13.174 -12.947 -4.032 1.00 0.00 C ATOM 4 O GLU 1 1 -13.356 -11.846 -4.548 1.00 0.00 O ATOM 5 CB GLU 1 1 -12.836 -15.434 -4.286 1.00 0.00 C ATOM 6 CG GLU 1 1 -14.358 -15.564 -4.201 1.00 0.00 C ATOM 7 CD GLU 1 1 -14.862 -16.702 -5.089 1.00 0.00 C ATOM 8 OE1 GLU 1 1 -14.850 -16.505 -6.324 1.00 0.00 O ATOM 9 OE2 GLU 1 1 -15.249 -17.742 -4.515 1.00 0.00 O ATOM 0 H1 GLU 1 1 -10.505 -14.608 -5.209 1.00 0.00 H new ATOM 0 H2 GLU 1 1 -10.740 -12.931 -5.092 1.00 0.00 H new ATOM 0 H3 GLU 1 1 -10.714 -13.884 -3.687 1.00 0.00 H new ATOM 0 HA GLU 1 1 -12.709 -13.986 -5.845 1.00 0.00 H new ATOM 0 HB2 GLU 1 1 -12.439 -16.199 -4.953 1.00 0.00 H new ATOM 0 HB3 GLU 1 1 -12.397 -15.608 -3.304 1.00 0.00 H new ATOM 0 HG2 GLU 1 1 -14.654 -15.746 -3.168 1.00 0.00 H new ATOM 0 HG3 GLU 1 1 -14.824 -14.627 -4.505 1.00 0.00 H new ATOM 16 N GLU 1 2 -13.581 -13.284 -2.817 1.00 0.00 N ATOM 17 CA GLU 1 2 -14.299 -12.338 -1.980 1.00 0.00 C ATOM 18 C GLU 1 2 -13.316 -11.520 -1.139 1.00 0.00 C ATOM 19 O GLU 1 2 -12.309 -11.036 -1.653 1.00 0.00 O ATOM 20 CB GLU 1 2 -15.316 -13.055 -1.090 1.00 0.00 C ATOM 21 CG GLU 1 2 -16.419 -12.097 -0.636 1.00 0.00 C ATOM 22 CD GLU 1 2 -17.796 -12.595 -1.084 1.00 0.00 C ATOM 23 OE1 GLU 1 2 -17.844 -13.247 -2.149 1.00 0.00 O ATOM 24 OE2 GLU 1 2 -18.767 -12.311 -0.351 1.00 0.00 O ATOM 0 H GLU 1 2 -13.427 -14.199 -2.392 1.00 0.00 H new ATOM 0 HA GLU 1 2 -14.849 -11.655 -2.628 1.00 0.00 H new ATOM 0 HB2 GLU 1 2 -15.756 -13.890 -1.635 1.00 0.00 H new ATOM 0 HB3 GLU 1 2 -14.811 -13.473 -0.219 1.00 0.00 H new ATOM 0 HG2 GLU 1 2 -16.398 -12.001 0.450 1.00 0.00 H new ATOM 0 HG3 GLU 1 2 -16.236 -11.104 -1.047 1.00 0.00 H new ATOM 31 N TYR 1 3 -13.644 -11.391 0.138 1.00 0.00 N ATOM 32 CA TYR 1 3 -12.802 -10.640 1.054 1.00 0.00 C ATOM 33 C TYR 1 3 -11.781 -11.553 1.735 1.00 0.00 C ATOM 34 O TYR 1 3 -11.837 -11.759 2.946 1.00 0.00 O ATOM 35 CB TYR 1 3 -13.742 -10.065 2.115 1.00 0.00 C ATOM 36 CG TYR 1 3 -14.919 -10.978 2.464 1.00 0.00 C ATOM 37 CD1 TYR 1 3 -14.704 -12.318 2.713 1.00 0.00 C ATOM 38 CD2 TYR 1 3 -16.197 -10.461 2.528 1.00 0.00 C ATOM 39 CE1 TYR 1 3 -15.813 -13.177 3.040 1.00 0.00 C ATOM 40 CE2 TYR 1 3 -17.306 -11.319 2.856 1.00 0.00 C ATOM 41 CZ TYR 1 3 -17.059 -12.635 3.095 1.00 0.00 C ATOM 42 OH TYR 1 3 -18.105 -13.447 3.404 1.00 0.00 O ATOM 0 H TYR 1 3 -14.481 -11.794 0.560 1.00 0.00 H new ATOM 0 HA TYR 1 3 -12.250 -9.866 0.521 1.00 0.00 H new ATOM 0 HB2 TYR 1 3 -13.171 -9.863 3.021 1.00 0.00 H new ATOM 0 HB3 TYR 1 3 -14.129 -9.109 1.763 1.00 0.00 H new ATOM 0 HD1 TYR 1 3 -13.704 -12.723 2.663 1.00 0.00 H new ATOM 0 HD2 TYR 1 3 -16.365 -9.412 2.332 1.00 0.00 H new ATOM 0 HE1 TYR 1 3 -15.659 -14.228 3.237 1.00 0.00 H new ATOM 0 HE2 TYR 1 3 -18.311 -10.927 2.911 1.00 0.00 H new ATOM 0 HH TYR 1 3 -18.934 -12.925 3.408 1.00 0.00 H new ATOM 52 N VAL 1 4 -10.872 -12.078 0.925 1.00 0.00 N ATOM 53 CA VAL 1 4 -9.839 -12.965 1.435 1.00 0.00 C ATOM 54 C VAL 1 4 -8.471 -12.477 0.956 1.00 0.00 C ATOM 55 O VAL 1 4 -7.540 -12.351 1.749 1.00 0.00 O ATOM 56 CB VAL 1 4 -10.139 -14.407 1.021 1.00 0.00 C ATOM 57 CG1 VAL 1 4 -9.011 -15.347 1.454 1.00 0.00 C ATOM 58 CG2 VAL 1 4 -11.484 -14.871 1.582 1.00 0.00 C ATOM 0 H VAL 1 4 -10.829 -11.906 -0.080 1.00 0.00 H new ATOM 0 HA VAL 1 4 -9.825 -12.949 2.525 1.00 0.00 H new ATOM 0 HB VAL 1 4 -10.202 -14.437 -0.067 1.00 0.00 H new ATOM 0 HG11 VAL 1 4 -9.249 -16.366 1.148 1.00 0.00 H new ATOM 0 HG12 VAL 1 4 -8.078 -15.036 0.985 1.00 0.00 H new ATOM 0 HG13 VAL 1 4 -8.902 -15.310 2.538 1.00 0.00 H new ATOM 0 HG21 VAL 1 4 -11.672 -15.899 1.273 1.00 0.00 H new ATOM 0 HG22 VAL 1 4 -11.462 -14.818 2.670 1.00 0.00 H new ATOM 0 HG23 VAL 1 4 -12.278 -14.227 1.203 1.00 0.00 H new ATOM 68 N GLY 1 5 -8.394 -12.214 -0.341 1.00 0.00 N ATOM 69 CA GLY 1 5 -7.155 -11.743 -0.935 1.00 0.00 C ATOM 70 C GLY 1 5 -6.845 -10.311 -0.494 1.00 0.00 C ATOM 71 O GLY 1 5 -5.872 -9.713 -0.953 1.00 0.00 O ATOM 0 H GLY 1 5 -9.169 -12.318 -0.996 1.00 0.00 H new ATOM 0 HA2 GLY 1 5 -6.336 -12.402 -0.646 1.00 0.00 H new ATOM 0 HA3 GLY 1 5 -7.230 -11.785 -2.022 1.00 0.00 H new ATOM 75 N LEU 1 6 -7.690 -9.804 0.392 1.00 0.00 N ATOM 76 CA LEU 1 6 -7.518 -8.453 0.900 1.00 0.00 C ATOM 77 C LEU 1 6 -7.963 -8.403 2.363 1.00 0.00 C ATOM 78 O LEU 1 6 -8.232 -7.329 2.897 1.00 0.00 O ATOM 79 CB LEU 1 6 -8.242 -7.447 0.003 1.00 0.00 C ATOM 80 CG LEU 1 6 -9.653 -7.050 0.443 1.00 0.00 C ATOM 81 CD1 LEU 1 6 -10.421 -6.395 -0.707 1.00 0.00 C ATOM 82 CD2 LEU 1 6 -10.404 -8.250 1.024 1.00 0.00 C ATOM 0 H LEU 1 6 -8.495 -10.304 0.771 1.00 0.00 H new ATOM 0 HA LEU 1 6 -6.466 -8.168 0.876 1.00 0.00 H new ATOM 0 HB2 LEU 1 6 -7.635 -6.544 -0.060 1.00 0.00 H new ATOM 0 HB3 LEU 1 6 -8.300 -7.863 -1.003 1.00 0.00 H new ATOM 0 HG LEU 1 6 -9.568 -6.308 1.237 1.00 0.00 H new ATOM 0 HD11 LEU 1 6 -11.421 -6.122 -0.368 1.00 0.00 H new ATOM 0 HD12 LEU 1 6 -9.892 -5.500 -1.035 1.00 0.00 H new ATOM 0 HD13 LEU 1 6 -10.498 -7.096 -1.539 1.00 0.00 H new ATOM 0 HD21 LEU 1 6 -11.404 -7.941 1.329 1.00 0.00 H new ATOM 0 HD22 LEU 1 6 -10.481 -9.032 0.268 1.00 0.00 H new ATOM 0 HD23 LEU 1 6 -9.863 -8.633 1.889 1.00 0.00 H new ATOM 94 N SER 1 7 -8.024 -9.579 2.970 1.00 0.00 N ATOM 95 CA SER 1 7 -8.431 -9.684 4.360 1.00 0.00 C ATOM 96 C SER 1 7 -7.204 -9.604 5.272 1.00 0.00 C ATOM 97 O SER 1 7 -6.074 -9.751 4.812 1.00 0.00 O ATOM 98 CB SER 1 7 -9.196 -10.984 4.615 1.00 0.00 C ATOM 99 OG SER 1 7 -8.344 -12.124 4.564 1.00 0.00 O ATOM 0 H SER 1 7 -7.798 -10.468 2.524 1.00 0.00 H new ATOM 0 HA SER 1 7 -9.099 -8.852 4.584 1.00 0.00 H new ATOM 0 HB2 SER 1 7 -9.678 -10.935 5.591 1.00 0.00 H new ATOM 0 HB3 SER 1 7 -9.988 -11.090 3.874 1.00 0.00 H new ATOM 0 HG SER 1 7 -8.024 -12.252 3.647 1.00 0.00 H new ATOM 105 N ALA 1 8 -7.470 -9.371 6.549 1.00 0.00 N ATOM 106 CA ALA 1 8 -6.403 -9.269 7.529 1.00 0.00 C ATOM 107 C ALA 1 8 -5.736 -10.636 7.695 1.00 0.00 C ATOM 108 O ALA 1 8 -4.727 -10.759 8.387 1.00 0.00 O ATOM 109 CB ALA 1 8 -6.967 -8.732 8.846 1.00 0.00 C ATOM 0 H ALA 1 8 -8.409 -9.250 6.927 1.00 0.00 H new ATOM 0 HA ALA 1 8 -5.639 -8.568 7.192 1.00 0.00 H new ATOM 0 HB1 ALA 1 8 -6.166 -8.656 9.581 1.00 0.00 H new ATOM 0 HB2 ALA 1 8 -7.402 -7.747 8.680 1.00 0.00 H new ATOM 0 HB3 ALA 1 8 -7.735 -9.411 9.216 1.00 0.00 H new ATOM 115 N ASN 1 9 -6.327 -11.629 7.047 1.00 0.00 N ATOM 116 CA ASN 1 9 -5.803 -12.982 7.113 1.00 0.00 C ATOM 117 C ASN 1 9 -4.931 -13.249 5.884 1.00 0.00 C ATOM 118 O ASN 1 9 -4.303 -14.301 5.780 1.00 0.00 O ATOM 119 CB ASN 1 9 -6.936 -14.012 7.122 1.00 0.00 C ATOM 120 CG ASN 1 9 -6.833 -14.929 8.342 1.00 0.00 C ATOM 121 OD1 ASN 1 9 -5.795 -15.759 8.309 1.00 0.00 O flip ATOM 122 ND2 ASN 1 9 -7.644 -14.886 9.253 1.00 0.00 N flip ATOM 0 H ASN 1 9 -7.164 -11.523 6.474 1.00 0.00 H new ATOM 0 HA ASN 1 9 -5.224 -13.074 8.032 1.00 0.00 H new ATOM 0 HB2 ASN 1 9 -7.898 -13.500 7.128 1.00 0.00 H new ATOM 0 HB3 ASN 1 9 -6.898 -14.608 6.210 1.00 0.00 H new ATOM 0 HD21 ASN 1 9 -8.419 -14.224 9.215 1.00 0.00 H new ATOM 0 HD22 ASN 1 9 -7.547 -15.512 10.052 1.00 0.00 H new ATOM 129 N GLN 1 10 -4.922 -12.276 4.983 1.00 0.00 N ATOM 130 CA GLN 1 10 -4.139 -12.392 3.766 1.00 0.00 C ATOM 131 C GLN 1 10 -2.646 -12.425 4.096 1.00 0.00 C ATOM 132 O GLN 1 10 -1.887 -13.178 3.487 1.00 0.00 O ATOM 133 CB GLN 1 10 -4.460 -11.254 2.796 1.00 0.00 C ATOM 134 CG GLN 1 10 -4.541 -11.766 1.356 1.00 0.00 C ATOM 135 CD GLN 1 10 -3.527 -11.048 0.462 1.00 0.00 C ATOM 136 OE1 GLN 1 10 -3.456 -9.737 0.670 1.00 0.00 O flip ATOM 137 NE2 GLN 1 10 -2.856 -11.646 -0.362 1.00 0.00 N flip ATOM 0 H GLN 1 10 -5.445 -11.405 5.073 1.00 0.00 H new ATOM 0 HA GLN 1 10 -4.404 -13.329 3.276 1.00 0.00 H new ATOM 0 HB2 GLN 1 10 -5.406 -10.790 3.074 1.00 0.00 H new ATOM 0 HB3 GLN 1 10 -3.693 -10.483 2.869 1.00 0.00 H new ATOM 0 HG2 GLN 1 10 -4.353 -12.839 1.337 1.00 0.00 H new ATOM 0 HG3 GLN 1 10 -5.548 -11.612 0.967 1.00 0.00 H new ATOM 0 HE21 GLN 1 10 -2.961 -12.655 -0.470 1.00 0.00 H new ATOM 0 HE22 GLN 1 10 -2.190 -11.137 -0.943 1.00 0.00 H new ATOM 146 N CYS 1 11 -2.267 -11.600 5.061 1.00 0.00 N ATOM 147 CA CYS 1 11 -0.878 -11.524 5.481 1.00 0.00 C ATOM 148 C CYS 1 11 -0.488 -12.869 6.096 1.00 0.00 C ATOM 149 O CYS 1 11 0.681 -13.103 6.398 1.00 0.00 O ATOM 150 CB CYS 1 11 -0.642 -10.364 6.450 1.00 0.00 C ATOM 151 SG CYS 1 11 1.066 -10.241 7.098 1.00 0.00 S ATOM 0 H CYS 1 11 -2.899 -10.977 5.565 1.00 0.00 H new ATOM 0 HA CYS 1 11 -0.245 -11.323 4.617 1.00 0.00 H new ATOM 0 HB2 CYS 1 11 -0.892 -9.431 5.945 1.00 0.00 H new ATOM 0 HB3 CYS 1 11 -1.328 -10.466 7.291 1.00 0.00 H new ATOM 156 N ALA 1 12 -1.491 -13.720 6.265 1.00 0.00 N ATOM 157 CA ALA 1 12 -1.267 -15.036 6.838 1.00 0.00 C ATOM 158 C ALA 1 12 -1.188 -16.071 5.714 1.00 0.00 C ATOM 159 O ALA 1 12 -1.388 -17.262 5.947 1.00 0.00 O ATOM 160 CB ALA 1 12 -2.379 -15.350 7.843 1.00 0.00 C ATOM 0 H ALA 1 12 -2.460 -13.523 6.015 1.00 0.00 H new ATOM 0 HA ALA 1 12 -0.321 -15.064 7.378 1.00 0.00 H new ATOM 0 HB1 ALA 1 12 -2.212 -16.337 8.274 1.00 0.00 H new ATOM 0 HB2 ALA 1 12 -2.374 -14.603 8.636 1.00 0.00 H new ATOM 0 HB3 ALA 1 12 -3.343 -15.334 7.335 1.00 0.00 H new ATOM 166 N VAL 1 13 -0.895 -15.578 4.520 1.00 0.00 N ATOM 167 CA VAL 1 13 -0.785 -16.446 3.359 1.00 0.00 C ATOM 168 C VAL 1 13 -0.015 -17.711 3.744 1.00 0.00 C ATOM 169 O VAL 1 13 0.591 -17.773 4.811 1.00 0.00 O ATOM 170 CB VAL 1 13 -0.144 -15.686 2.196 1.00 0.00 C ATOM 171 CG1 VAL 1 13 -1.208 -15.178 1.220 1.00 0.00 C ATOM 172 CG2 VAL 1 13 0.726 -14.536 2.706 1.00 0.00 C ATOM 0 H VAL 1 13 -0.730 -14.589 4.331 1.00 0.00 H new ATOM 0 HA VAL 1 13 -1.773 -16.758 3.020 1.00 0.00 H new ATOM 0 HB VAL 1 13 0.501 -16.380 1.657 1.00 0.00 H new ATOM 0 HG11 VAL 1 13 -0.726 -14.641 0.403 1.00 0.00 H new ATOM 0 HG12 VAL 1 13 -1.767 -16.023 0.819 1.00 0.00 H new ATOM 0 HG13 VAL 1 13 -1.890 -14.507 1.742 1.00 0.00 H new ATOM 0 HG21 VAL 1 13 1.170 -14.012 1.859 1.00 0.00 H new ATOM 0 HG22 VAL 1 13 0.112 -13.842 3.280 1.00 0.00 H new ATOM 0 HG23 VAL 1 13 1.517 -14.933 3.342 1.00 0.00 H new ATOM 182 N PRO 1 14 -0.068 -18.715 2.829 1.00 0.00 N ATOM 183 CA PRO 1 14 0.618 -19.976 3.060 1.00 0.00 C ATOM 184 C PRO 1 14 2.127 -19.824 2.861 1.00 0.00 C ATOM 185 O PRO 1 14 2.870 -20.799 2.961 1.00 0.00 O ATOM 186 CB PRO 1 14 -0.016 -20.954 2.084 1.00 0.00 C ATOM 187 CG PRO 1 14 -0.700 -20.104 1.027 1.00 0.00 C ATOM 188 CD PRO 1 14 -0.777 -18.679 1.552 1.00 0.00 C ATOM 0 HA PRO 1 14 0.511 -20.332 4.085 1.00 0.00 H new ATOM 0 HB2 PRO 1 14 0.737 -21.602 1.636 1.00 0.00 H new ATOM 0 HB3 PRO 1 14 -0.733 -21.600 2.590 1.00 0.00 H new ATOM 0 HG2 PRO 1 14 -0.142 -20.136 0.091 1.00 0.00 H new ATOM 0 HG3 PRO 1 14 -1.698 -20.488 0.816 1.00 0.00 H new ATOM 0 HD2 PRO 1 14 -0.312 -17.977 0.860 1.00 0.00 H new ATOM 0 HD3 PRO 1 14 -1.811 -18.360 1.682 1.00 0.00 H new ATOM 196 N ALA 1 15 2.534 -18.595 2.582 1.00 0.00 N ATOM 197 CA ALA 1 15 3.941 -18.304 2.367 1.00 0.00 C ATOM 198 C ALA 1 15 4.309 -18.627 0.918 1.00 0.00 C ATOM 199 O ALA 1 15 5.325 -19.270 0.660 1.00 0.00 O ATOM 200 CB ALA 1 15 4.785 -19.091 3.372 1.00 0.00 C ATOM 0 H ALA 1 15 1.914 -17.789 2.500 1.00 0.00 H new ATOM 0 HA ALA 1 15 4.143 -17.245 2.530 1.00 0.00 H new ATOM 0 HB1 ALA 1 15 5.841 -18.873 3.211 1.00 0.00 H new ATOM 0 HB2 ALA 1 15 4.506 -18.803 4.386 1.00 0.00 H new ATOM 0 HB3 ALA 1 15 4.611 -20.158 3.237 1.00 0.00 H new ATOM 206 N LYS 1 16 3.462 -18.167 0.008 1.00 0.00 N ATOM 207 CA LYS 1 16 3.685 -18.399 -1.408 1.00 0.00 C ATOM 208 C LYS 1 16 2.483 -17.883 -2.201 1.00 0.00 C ATOM 209 O LYS 1 16 2.037 -18.527 -3.149 1.00 0.00 O ATOM 210 CB LYS 1 16 4.004 -19.874 -1.666 1.00 0.00 C ATOM 211 CG LYS 1 16 3.342 -20.769 -0.617 1.00 0.00 C ATOM 212 CD LYS 1 16 2.794 -22.048 -1.255 1.00 0.00 C ATOM 213 CE LYS 1 16 3.816 -23.183 -1.170 1.00 0.00 C ATOM 214 NZ LYS 1 16 3.132 -24.492 -1.086 1.00 0.00 N ATOM 0 H LYS 1 16 2.620 -17.634 0.225 1.00 0.00 H new ATOM 0 HA LYS 1 16 4.557 -17.843 -1.752 1.00 0.00 H new ATOM 0 HB2 LYS 1 16 3.658 -20.156 -2.660 1.00 0.00 H new ATOM 0 HB3 LYS 1 16 5.083 -20.025 -1.649 1.00 0.00 H new ATOM 0 HG2 LYS 1 16 4.066 -21.025 0.157 1.00 0.00 H new ATOM 0 HG3 LYS 1 16 2.533 -20.226 -0.129 1.00 0.00 H new ATOM 0 HD2 LYS 1 16 1.873 -22.344 -0.752 1.00 0.00 H new ATOM 0 HD3 LYS 1 16 2.541 -21.859 -2.298 1.00 0.00 H new ATOM 0 HE2 LYS 1 16 4.466 -23.161 -2.045 1.00 0.00 H new ATOM 0 HE3 LYS 1 16 4.453 -23.042 -0.297 1.00 0.00 H new ATOM 0 HZ1 LYS 1 16 3.841 -25.251 -1.029 1.00 0.00 H new ATOM 0 HZ2 LYS 1 16 2.530 -24.516 -0.238 1.00 0.00 H new ATOM 0 HZ3 LYS 1 16 2.543 -24.631 -1.932 1.00 0.00 H new ATOM 228 N ASP 1 17 1.992 -16.726 -1.783 1.00 0.00 N ATOM 229 CA ASP 1 17 0.849 -16.115 -2.442 1.00 0.00 C ATOM 230 C ASP 1 17 0.971 -14.593 -2.357 1.00 0.00 C ATOM 231 O ASP 1 17 0.016 -13.873 -2.648 1.00 0.00 O ATOM 232 CB ASP 1 17 -0.460 -16.524 -1.764 1.00 0.00 C ATOM 233 CG ASP 1 17 -1.728 -15.972 -2.421 1.00 0.00 C ATOM 234 OD1 ASP 1 17 -1.860 -16.165 -3.649 1.00 0.00 O ATOM 235 OD2 ASP 1 17 -2.535 -15.370 -1.681 1.00 0.00 O ATOM 0 H ASP 1 17 2.364 -16.195 -0.996 1.00 0.00 H new ATOM 0 HA ASP 1 17 0.838 -16.450 -3.479 1.00 0.00 H new ATOM 0 HB2 ASP 1 17 -0.520 -17.612 -1.750 1.00 0.00 H new ATOM 0 HB3 ASP 1 17 -0.433 -16.193 -0.726 1.00 0.00 H new ATOM 240 N ARG 1 18 2.153 -14.146 -1.958 1.00 0.00 N ATOM 241 CA ARG 1 18 2.411 -12.722 -1.832 1.00 0.00 C ATOM 242 C ARG 1 18 2.985 -12.169 -3.138 1.00 0.00 C ATOM 243 O ARG 1 18 3.144 -12.905 -4.111 1.00 0.00 O ATOM 244 CB ARG 1 18 3.392 -12.440 -0.692 1.00 0.00 C ATOM 245 CG ARG 1 18 3.021 -13.236 0.561 1.00 0.00 C ATOM 246 CD ARG 1 18 4.253 -13.917 1.162 1.00 0.00 C ATOM 247 NE ARG 1 18 3.853 -14.771 2.303 1.00 0.00 N ATOM 248 CZ ARG 1 18 4.612 -14.979 3.387 1.00 0.00 C ATOM 249 NH1 ARG 1 18 5.815 -14.398 3.484 1.00 0.00 N ATOM 250 NH2 ARG 1 18 4.167 -15.769 4.373 1.00 0.00 N ATOM 0 H ARG 1 18 2.943 -14.745 -1.718 1.00 0.00 H new ATOM 0 HA ARG 1 18 1.463 -12.231 -1.611 1.00 0.00 H new ATOM 0 HB2 ARG 1 18 4.403 -12.699 -1.005 1.00 0.00 H new ATOM 0 HB3 ARG 1 18 3.392 -11.374 -0.463 1.00 0.00 H new ATOM 0 HG2 ARG 1 18 2.572 -12.571 1.299 1.00 0.00 H new ATOM 0 HG3 ARG 1 18 2.272 -13.987 0.311 1.00 0.00 H new ATOM 0 HD2 ARG 1 18 4.752 -14.520 0.403 1.00 0.00 H new ATOM 0 HD3 ARG 1 18 4.969 -13.165 1.493 1.00 0.00 H new ATOM 0 HE ARG 1 18 2.943 -15.230 2.261 1.00 0.00 H new ATOM 0 HH11 ARG 1 18 6.153 -13.797 2.732 1.00 0.00 H new ATOM 0 HH12 ARG 1 18 6.393 -14.556 4.309 1.00 0.00 H new ATOM 0 HH21 ARG 1 18 3.251 -16.211 4.298 1.00 0.00 H new ATOM 0 HH22 ARG 1 18 4.744 -15.928 5.199 1.00 0.00 H new ATOM 264 N VAL 1 19 3.279 -10.877 -3.118 1.00 0.00 N ATOM 265 CA VAL 1 19 3.830 -10.216 -4.289 1.00 0.00 C ATOM 266 C VAL 1 19 5.269 -9.788 -3.995 1.00 0.00 C ATOM 267 O VAL 1 19 5.801 -8.895 -4.654 1.00 0.00 O ATOM 268 CB VAL 1 19 2.931 -9.050 -4.704 1.00 0.00 C ATOM 269 CG1 VAL 1 19 3.216 -8.625 -6.145 1.00 0.00 C ATOM 270 CG2 VAL 1 19 1.454 -9.404 -4.517 1.00 0.00 C ATOM 0 H VAL 1 19 3.146 -10.270 -2.309 1.00 0.00 H new ATOM 0 HA VAL 1 19 3.861 -10.901 -5.137 1.00 0.00 H new ATOM 0 HB VAL 1 19 3.157 -8.204 -4.055 1.00 0.00 H new ATOM 0 HG11 VAL 1 19 2.564 -7.795 -6.415 1.00 0.00 H new ATOM 0 HG12 VAL 1 19 4.257 -8.313 -6.233 1.00 0.00 H new ATOM 0 HG13 VAL 1 19 3.031 -9.464 -6.815 1.00 0.00 H new ATOM 0 HG21 VAL 1 19 0.836 -8.558 -4.819 1.00 0.00 H new ATOM 0 HG22 VAL 1 19 1.207 -10.271 -5.130 1.00 0.00 H new ATOM 0 HG23 VAL 1 19 1.265 -9.635 -3.469 1.00 0.00 H new ATOM 280 N ASP 1 20 5.859 -10.443 -3.007 1.00 0.00 N ATOM 281 CA ASP 1 20 7.227 -10.141 -2.620 1.00 0.00 C ATOM 282 C ASP 1 20 7.496 -8.651 -2.838 1.00 0.00 C ATOM 283 O ASP 1 20 7.949 -8.249 -3.910 1.00 0.00 O ATOM 284 CB ASP 1 20 8.227 -10.932 -3.464 1.00 0.00 C ATOM 285 CG ASP 1 20 9.587 -10.258 -3.657 1.00 0.00 C ATOM 286 OD1 ASP 1 20 10.311 -10.143 -2.645 1.00 0.00 O ATOM 287 OD2 ASP 1 20 9.871 -9.873 -4.812 1.00 0.00 O ATOM 0 H ASP 1 20 5.415 -11.182 -2.462 1.00 0.00 H new ATOM 0 HA ASP 1 20 7.349 -10.413 -1.571 1.00 0.00 H new ATOM 0 HB2 ASP 1 20 8.383 -11.905 -2.998 1.00 0.00 H new ATOM 0 HB3 ASP 1 20 7.787 -11.115 -4.444 1.00 0.00 H new ATOM 292 N CYS 1 21 7.208 -7.872 -1.805 1.00 0.00 N ATOM 293 CA CYS 1 21 7.414 -6.436 -1.873 1.00 0.00 C ATOM 294 C CYS 1 21 8.828 -6.177 -2.398 1.00 0.00 C ATOM 295 O CYS 1 21 9.061 -5.195 -3.102 1.00 0.00 O ATOM 296 CB CYS 1 21 7.178 -5.767 -0.516 1.00 0.00 C ATOM 297 SG CYS 1 21 6.373 -4.126 -0.600 1.00 0.00 S ATOM 0 H CYS 1 21 6.834 -8.208 -0.918 1.00 0.00 H new ATOM 0 HA CYS 1 21 6.688 -5.994 -2.555 1.00 0.00 H new ATOM 0 HB2 CYS 1 21 6.564 -6.427 0.097 1.00 0.00 H new ATOM 0 HB3 CYS 1 21 8.136 -5.661 -0.007 1.00 0.00 H new ATOM 302 N GLY 1 22 9.733 -7.074 -2.037 1.00 0.00 N ATOM 303 CA GLY 1 22 11.117 -6.955 -2.464 1.00 0.00 C ATOM 304 C GLY 1 22 11.708 -5.611 -2.038 1.00 0.00 C ATOM 305 O GLY 1 22 12.200 -4.852 -2.871 1.00 0.00 O ATOM 0 H GLY 1 22 9.535 -7.887 -1.453 1.00 0.00 H new ATOM 0 HA2 GLY 1 22 11.705 -7.767 -2.036 1.00 0.00 H new ATOM 0 HA3 GLY 1 22 11.177 -7.056 -3.548 1.00 0.00 H new ATOM 309 N TYR 1 23 11.640 -5.356 -0.740 1.00 0.00 N ATOM 310 CA TYR 1 23 12.163 -4.115 -0.191 1.00 0.00 C ATOM 311 C TYR 1 23 13.624 -4.275 0.232 1.00 0.00 C ATOM 312 O TYR 1 23 14.008 -5.313 0.769 1.00 0.00 O ATOM 313 CB TYR 1 23 11.315 -3.810 1.045 1.00 0.00 C ATOM 314 CG TYR 1 23 10.890 -2.345 1.163 1.00 0.00 C ATOM 315 CD1 TYR 1 23 10.519 -1.641 0.036 1.00 0.00 C ATOM 316 CD2 TYR 1 23 10.879 -1.727 2.397 1.00 0.00 C ATOM 317 CE1 TYR 1 23 10.119 -0.262 0.146 1.00 0.00 C ATOM 318 CE2 TYR 1 23 10.478 -0.348 2.508 1.00 0.00 C ATOM 319 CZ TYR 1 23 10.119 0.315 1.377 1.00 0.00 C ATOM 320 OH TYR 1 23 9.741 1.618 1.481 1.00 0.00 O ATOM 0 H TYR 1 23 11.231 -5.987 -0.051 1.00 0.00 H new ATOM 0 HA TYR 1 23 12.120 -3.318 -0.934 1.00 0.00 H new ATOM 0 HB2 TYR 1 23 10.423 -4.436 1.024 1.00 0.00 H new ATOM 0 HB3 TYR 1 23 11.878 -4.087 1.936 1.00 0.00 H new ATOM 0 HD1 TYR 1 23 10.529 -2.125 -0.930 1.00 0.00 H new ATOM 0 HD2 TYR 1 23 11.171 -2.277 3.279 1.00 0.00 H new ATOM 0 HE1 TYR 1 23 9.826 0.300 -0.728 1.00 0.00 H new ATOM 0 HE2 TYR 1 23 10.463 0.148 3.467 1.00 0.00 H new ATOM 0 HH TYR 1 23 9.093 1.828 0.777 1.00 0.00 H new ATOM 330 N PRO 1 24 14.420 -3.205 -0.032 1.00 0.00 N ATOM 331 CA PRO 1 24 15.830 -3.217 0.315 1.00 0.00 C ATOM 332 C PRO 1 24 16.026 -3.033 1.821 1.00 0.00 C ATOM 333 O PRO 1 24 17.142 -3.147 2.326 1.00 0.00 O ATOM 334 CB PRO 1 24 16.448 -2.095 -0.504 1.00 0.00 C ATOM 335 CG PRO 1 24 15.292 -1.201 -0.924 1.00 0.00 C ATOM 336 CD PRO 1 24 13.999 -1.959 -0.668 1.00 0.00 C ATOM 0 HA PRO 1 24 16.310 -4.169 0.088 1.00 0.00 H new ATOM 0 HB2 PRO 1 24 17.178 -1.539 0.084 1.00 0.00 H new ATOM 0 HB3 PRO 1 24 16.973 -2.490 -1.374 1.00 0.00 H new ATOM 0 HG2 PRO 1 24 15.306 -0.269 -0.360 1.00 0.00 H new ATOM 0 HG3 PRO 1 24 15.377 -0.937 -1.978 1.00 0.00 H new ATOM 0 HD2 PRO 1 24 13.328 -1.392 -0.023 1.00 0.00 H new ATOM 0 HD3 PRO 1 24 13.461 -2.150 -1.597 1.00 0.00 H new ATOM 344 N HIS 1 25 14.922 -2.753 2.500 1.00 0.00 N ATOM 345 CA HIS 1 25 14.957 -2.554 3.938 1.00 0.00 C ATOM 346 C HIS 1 25 13.813 -3.330 4.592 1.00 0.00 C ATOM 347 O HIS 1 25 13.012 -2.757 5.329 1.00 0.00 O ATOM 348 CB HIS 1 25 14.933 -1.062 4.279 1.00 0.00 C ATOM 349 CG HIS 1 25 16.229 -0.544 4.856 1.00 0.00 C ATOM 350 ND1 HIS 1 25 16.325 0.669 5.515 1.00 0.00 N ATOM 351 CD2 HIS 1 25 17.481 -1.087 4.868 1.00 0.00 C ATOM 352 CE1 HIS 1 25 17.581 0.839 5.900 1.00 0.00 C ATOM 353 NE2 HIS 1 25 18.296 -0.251 5.497 1.00 0.00 N ATOM 0 H HIS 1 25 13.998 -2.659 2.079 1.00 0.00 H new ATOM 0 HA HIS 1 25 15.891 -2.946 4.341 1.00 0.00 H new ATOM 0 HB2 HIS 1 25 14.697 -0.497 3.377 1.00 0.00 H new ATOM 0 HB3 HIS 1 25 14.129 -0.875 4.991 1.00 0.00 H new ATOM 0 HD2 HIS 1 25 17.761 -2.037 4.438 1.00 0.00 H new ATOM 0 HE1 HIS 1 25 17.971 1.690 6.438 1.00 0.00 H new ATOM 0 HE2 HIS 1 25 19.293 -0.399 5.654 1.00 0.00 H new ATOM 362 N VAL 1 26 13.772 -4.621 4.299 1.00 0.00 N ATOM 363 CA VAL 1 26 12.739 -5.481 4.849 1.00 0.00 C ATOM 364 C VAL 1 26 12.988 -5.676 6.346 1.00 0.00 C ATOM 365 O VAL 1 26 14.067 -6.109 6.748 1.00 0.00 O ATOM 366 CB VAL 1 26 12.688 -6.801 4.075 1.00 0.00 C ATOM 367 CG1 VAL 1 26 14.097 -7.331 3.802 1.00 0.00 C ATOM 368 CG2 VAL 1 26 11.845 -7.839 4.815 1.00 0.00 C ATOM 0 H VAL 1 26 14.438 -5.093 3.687 1.00 0.00 H new ATOM 0 HA VAL 1 26 11.759 -5.018 4.739 1.00 0.00 H new ATOM 0 HB VAL 1 26 12.211 -6.607 3.114 1.00 0.00 H new ATOM 0 HG11 VAL 1 26 14.032 -8.269 3.251 1.00 0.00 H new ATOM 0 HG12 VAL 1 26 14.652 -6.602 3.212 1.00 0.00 H new ATOM 0 HG13 VAL 1 26 14.612 -7.500 4.748 1.00 0.00 H new ATOM 0 HG21 VAL 1 26 11.826 -8.767 4.243 1.00 0.00 H new ATOM 0 HG22 VAL 1 26 12.279 -8.027 5.797 1.00 0.00 H new ATOM 0 HG23 VAL 1 26 10.828 -7.465 4.933 1.00 0.00 H new ATOM 378 N THR 1 27 11.973 -5.348 7.131 1.00 0.00 N ATOM 379 CA THR 1 27 12.068 -5.482 8.575 1.00 0.00 C ATOM 380 C THR 1 27 10.697 -5.272 9.221 1.00 0.00 C ATOM 381 O THR 1 27 9.836 -4.599 8.655 1.00 0.00 O ATOM 382 CB THR 1 27 13.131 -4.501 9.071 1.00 0.00 C ATOM 383 OG1 THR 1 27 14.040 -5.316 9.806 1.00 0.00 O ATOM 384 CG2 THR 1 27 12.584 -3.522 10.112 1.00 0.00 C ATOM 0 H THR 1 27 11.079 -4.989 6.794 1.00 0.00 H new ATOM 0 HA THR 1 27 12.376 -6.488 8.860 1.00 0.00 H new ATOM 0 HB THR 1 27 13.534 -3.944 8.225 1.00 0.00 H new ATOM 0 HG1 THR 1 27 14.764 -4.759 10.162 1.00 0.00 H new ATOM 0 HG21 THR 1 27 13.379 -2.848 10.431 1.00 0.00 H new ATOM 0 HG22 THR 1 27 11.771 -2.943 9.675 1.00 0.00 H new ATOM 0 HG23 THR 1 27 12.212 -4.077 10.973 1.00 0.00 H new ATOM 392 N PRO 1 28 10.533 -5.876 10.429 1.00 0.00 N ATOM 393 CA PRO 1 28 9.282 -5.761 11.159 1.00 0.00 C ATOM 394 C PRO 1 28 9.142 -4.376 11.793 1.00 0.00 C ATOM 395 O PRO 1 28 8.979 -4.259 13.007 1.00 0.00 O ATOM 396 CB PRO 1 28 9.321 -6.883 12.183 1.00 0.00 C ATOM 397 CG PRO 1 28 10.781 -7.290 12.301 1.00 0.00 C ATOM 398 CD PRO 1 28 11.530 -6.680 11.128 1.00 0.00 C ATOM 0 HA PRO 1 28 8.408 -5.858 10.515 1.00 0.00 H new ATOM 0 HB2 PRO 1 28 8.930 -6.548 13.144 1.00 0.00 H new ATOM 0 HB3 PRO 1 28 8.706 -7.724 11.864 1.00 0.00 H new ATOM 0 HG2 PRO 1 28 11.200 -6.941 13.245 1.00 0.00 H new ATOM 0 HG3 PRO 1 28 10.877 -8.376 12.292 1.00 0.00 H new ATOM 0 HD2 PRO 1 28 12.365 -6.068 11.467 1.00 0.00 H new ATOM 0 HD3 PRO 1 28 11.943 -7.451 10.478 1.00 0.00 H new ATOM 406 N LYS 1 29 9.210 -3.362 10.943 1.00 0.00 N ATOM 407 CA LYS 1 29 9.093 -1.989 11.407 1.00 0.00 C ATOM 408 C LYS 1 29 9.223 -1.040 10.213 1.00 0.00 C ATOM 409 O LYS 1 29 8.724 0.083 10.251 1.00 0.00 O ATOM 410 CB LYS 1 29 10.101 -1.713 12.524 1.00 0.00 C ATOM 411 CG LYS 1 29 9.928 -0.297 13.080 1.00 0.00 C ATOM 412 CD LYS 1 29 10.030 -0.292 14.608 1.00 0.00 C ATOM 413 CE LYS 1 29 9.819 1.116 15.166 1.00 0.00 C ATOM 414 NZ LYS 1 29 10.475 1.255 16.485 1.00 0.00 N ATOM 0 H LYS 1 29 9.344 -3.463 9.937 1.00 0.00 H new ATOM 0 HA LYS 1 29 8.110 -1.817 11.847 1.00 0.00 H new ATOM 0 HB2 LYS 1 29 9.970 -2.441 13.325 1.00 0.00 H new ATOM 0 HB3 LYS 1 29 11.115 -1.837 12.143 1.00 0.00 H new ATOM 0 HG2 LYS 1 29 10.690 0.359 12.659 1.00 0.00 H new ATOM 0 HG3 LYS 1 29 8.960 0.102 12.775 1.00 0.00 H new ATOM 0 HD2 LYS 1 29 9.286 -0.969 15.028 1.00 0.00 H new ATOM 0 HD3 LYS 1 29 11.008 -0.665 14.912 1.00 0.00 H new ATOM 0 HE2 LYS 1 29 10.224 1.853 14.472 1.00 0.00 H new ATOM 0 HE3 LYS 1 29 8.752 1.320 15.261 1.00 0.00 H new ATOM 0 HZ1 LYS 1 29 10.322 2.217 16.849 1.00 0.00 H new ATOM 0 HZ2 LYS 1 29 10.070 0.565 17.149 1.00 0.00 H new ATOM 0 HZ3 LYS 1 29 11.495 1.081 16.385 1.00 0.00 H new ATOM 428 N GLU 1 30 9.898 -1.527 9.181 1.00 0.00 N ATOM 429 CA GLU 1 30 10.100 -0.737 7.979 1.00 0.00 C ATOM 430 C GLU 1 30 9.065 -1.112 6.917 1.00 0.00 C ATOM 431 O GLU 1 30 8.447 -0.238 6.312 1.00 0.00 O ATOM 432 CB GLU 1 30 11.523 -0.908 7.444 1.00 0.00 C ATOM 433 CG GLU 1 30 12.405 0.277 7.841 1.00 0.00 C ATOM 434 CD GLU 1 30 13.107 0.014 9.175 1.00 0.00 C ATOM 435 OE1 GLU 1 30 13.776 -1.038 9.267 1.00 0.00 O ATOM 436 OE2 GLU 1 30 12.958 0.870 10.073 1.00 0.00 O ATOM 0 H GLU 1 30 10.312 -2.459 9.153 1.00 0.00 H new ATOM 0 HA GLU 1 30 9.966 0.315 8.232 1.00 0.00 H new ATOM 0 HB2 GLU 1 30 11.953 -1.832 7.832 1.00 0.00 H new ATOM 0 HB3 GLU 1 30 11.498 -1.000 6.358 1.00 0.00 H new ATOM 0 HG2 GLU 1 30 13.148 0.458 7.064 1.00 0.00 H new ATOM 0 HG3 GLU 1 30 11.797 1.178 7.917 1.00 0.00 H new ATOM 443 N CYS 1 31 8.909 -2.414 6.723 1.00 0.00 N ATOM 444 CA CYS 1 31 7.959 -2.915 5.744 1.00 0.00 C ATOM 445 C CYS 1 31 6.549 -2.538 6.204 1.00 0.00 C ATOM 446 O CYS 1 31 5.793 -1.919 5.457 1.00 0.00 O ATOM 447 CB CYS 1 31 8.107 -4.424 5.535 1.00 0.00 C ATOM 448 SG CYS 1 31 9.364 -4.907 4.297 1.00 0.00 S ATOM 0 H CYS 1 31 9.424 -3.136 7.227 1.00 0.00 H new ATOM 0 HA CYS 1 31 8.157 -2.458 4.774 1.00 0.00 H new ATOM 0 HB2 CYS 1 31 8.361 -4.886 6.489 1.00 0.00 H new ATOM 0 HB3 CYS 1 31 7.143 -4.831 5.231 1.00 0.00 H new ATOM 453 N ASN 1 32 6.240 -2.926 7.433 1.00 0.00 N ATOM 454 CA ASN 1 32 4.934 -2.636 8.002 1.00 0.00 C ATOM 455 C ASN 1 32 4.759 -1.120 8.120 1.00 0.00 C ATOM 456 O ASN 1 32 3.678 -0.641 8.459 1.00 0.00 O ATOM 457 CB ASN 1 32 4.797 -3.239 9.401 1.00 0.00 C ATOM 458 CG ASN 1 32 4.993 -4.756 9.367 1.00 0.00 C ATOM 459 OD1 ASN 1 32 4.251 -5.375 8.453 1.00 0.00 O flip ATOM 460 ND2 ASN 1 32 5.765 -5.325 10.120 1.00 0.00 N flip ATOM 0 H ASN 1 32 6.870 -3.438 8.050 1.00 0.00 H new ATOM 0 HA ASN 1 32 4.177 -3.068 7.348 1.00 0.00 H new ATOM 0 HB2 ASN 1 32 5.532 -2.789 10.068 1.00 0.00 H new ATOM 0 HB3 ASN 1 32 3.813 -3.005 9.807 1.00 0.00 H new ATOM 0 HD21 ASN 1 32 6.304 -4.788 10.799 1.00 0.00 H new ATOM 0 HD22 ASN 1 32 5.871 -6.338 10.071 1.00 0.00 H new ATOM 467 N ASN 1 33 5.839 -0.408 7.835 1.00 0.00 N ATOM 468 CA ASN 1 33 5.819 1.043 7.906 1.00 0.00 C ATOM 469 C ASN 1 33 5.818 1.618 6.488 1.00 0.00 C ATOM 470 O ASN 1 33 5.325 2.723 6.262 1.00 0.00 O ATOM 471 CB ASN 1 33 7.056 1.577 8.631 1.00 0.00 C ATOM 472 CG ASN 1 33 7.147 3.100 8.514 1.00 0.00 C ATOM 473 OD1 ASN 1 33 6.285 3.835 8.968 1.00 0.00 O ATOM 474 ND2 ASN 1 33 8.234 3.530 7.881 1.00 0.00 N ATOM 0 H ASN 1 33 6.734 -0.809 7.554 1.00 0.00 H new ATOM 0 HA ASN 1 33 4.924 1.341 8.452 1.00 0.00 H new ATOM 0 HB2 ASN 1 33 7.017 1.291 9.682 1.00 0.00 H new ATOM 0 HB3 ASN 1 33 7.953 1.122 8.210 1.00 0.00 H new ATOM 0 HD21 ASN 1 33 8.386 4.530 7.751 1.00 0.00 H new ATOM 0 HD22 ASN 1 33 8.916 2.860 7.526 1.00 0.00 H new ATOM 481 N ARG 1 34 6.375 0.843 5.569 1.00 0.00 N ATOM 482 CA ARG 1 34 6.444 1.262 4.179 1.00 0.00 C ATOM 483 C ARG 1 34 5.133 0.937 3.461 1.00 0.00 C ATOM 484 O ARG 1 34 4.750 1.627 2.518 1.00 0.00 O ATOM 485 CB ARG 1 34 7.600 0.571 3.453 1.00 0.00 C ATOM 486 CG ARG 1 34 7.154 -0.767 2.861 1.00 0.00 C ATOM 487 CD ARG 1 34 6.457 -0.565 1.513 1.00 0.00 C ATOM 488 NE ARG 1 34 7.311 -1.076 0.419 1.00 0.00 N ATOM 489 CZ ARG 1 34 6.995 -0.997 -0.880 1.00 0.00 C ATOM 490 NH1 ARG 1 34 5.842 -0.425 -1.256 1.00 0.00 N ATOM 491 NH2 ARG 1 34 7.831 -1.488 -1.805 1.00 0.00 N ATOM 0 H ARG 1 34 6.783 -0.072 5.759 1.00 0.00 H new ATOM 0 HA ARG 1 34 6.612 2.339 4.165 1.00 0.00 H new ATOM 0 HB2 ARG 1 34 7.974 1.217 2.659 1.00 0.00 H new ATOM 0 HB3 ARG 1 34 8.425 0.409 4.147 1.00 0.00 H new ATOM 0 HG2 ARG 1 34 8.018 -1.419 2.733 1.00 0.00 H new ATOM 0 HG3 ARG 1 34 6.477 -1.267 3.553 1.00 0.00 H new ATOM 0 HD2 ARG 1 34 5.498 -1.083 1.509 1.00 0.00 H new ATOM 0 HD3 ARG 1 34 6.248 0.493 1.358 1.00 0.00 H new ATOM 0 HE ARG 1 34 8.196 -1.516 0.670 1.00 0.00 H new ATOM 0 HH11 ARG 1 34 5.206 -0.050 -0.553 1.00 0.00 H new ATOM 0 HH12 ARG 1 34 5.601 -0.365 -2.245 1.00 0.00 H new ATOM 0 HH21 ARG 1 34 8.709 -1.922 -1.520 1.00 0.00 H new ATOM 0 HH22 ARG 1 34 7.590 -1.427 -2.794 1.00 0.00 H new ATOM 505 N GLY 1 35 4.481 -0.115 3.934 1.00 0.00 N ATOM 506 CA GLY 1 35 3.220 -0.540 3.350 1.00 0.00 C ATOM 507 C GLY 1 35 3.270 -2.016 2.952 1.00 0.00 C ATOM 508 O GLY 1 35 2.510 -2.458 2.093 1.00 0.00 O ATOM 0 H GLY 1 35 4.803 -0.686 4.716 1.00 0.00 H new ATOM 0 HA2 GLY 1 35 2.412 -0.379 4.064 1.00 0.00 H new ATOM 0 HA3 GLY 1 35 2.997 0.069 2.474 1.00 0.00 H new ATOM 512 N CYS 1 36 4.174 -2.740 3.598 1.00 0.00 N ATOM 513 CA CYS 1 36 4.333 -4.157 3.323 1.00 0.00 C ATOM 514 C CYS 1 36 4.068 -4.930 4.617 1.00 0.00 C ATOM 515 O CYS 1 36 3.793 -4.332 5.656 1.00 0.00 O ATOM 516 CB CYS 1 36 5.715 -4.470 2.745 1.00 0.00 C ATOM 517 SG CYS 1 36 6.121 -3.576 1.200 1.00 0.00 S ATOM 0 H CYS 1 36 4.803 -2.371 4.311 1.00 0.00 H new ATOM 0 HA CYS 1 36 3.615 -4.465 2.563 1.00 0.00 H new ATOM 0 HB2 CYS 1 36 6.469 -4.232 3.495 1.00 0.00 H new ATOM 0 HB3 CYS 1 36 5.780 -5.542 2.556 1.00 0.00 H new ATOM 522 N CYS 1 37 4.159 -6.247 4.510 1.00 0.00 N ATOM 523 CA CYS 1 37 3.932 -7.109 5.659 1.00 0.00 C ATOM 524 C CYS 1 37 5.172 -7.982 5.857 1.00 0.00 C ATOM 525 O CYS 1 37 5.601 -8.674 4.935 1.00 0.00 O ATOM 526 CB CYS 1 37 2.663 -7.947 5.496 1.00 0.00 C ATOM 527 SG CYS 1 37 1.931 -8.544 7.063 1.00 0.00 S ATOM 0 H CYS 1 37 4.387 -6.739 3.646 1.00 0.00 H new ATOM 0 HA CYS 1 37 3.773 -6.499 6.548 1.00 0.00 H new ATOM 0 HB2 CYS 1 37 1.918 -7.353 4.966 1.00 0.00 H new ATOM 0 HB3 CYS 1 37 2.891 -8.807 4.867 1.00 0.00 H new ATOM 532 N PHE 1 38 5.713 -7.921 7.065 1.00 0.00 N ATOM 533 CA PHE 1 38 6.895 -8.700 7.395 1.00 0.00 C ATOM 534 C PHE 1 38 6.519 -10.127 7.794 1.00 0.00 C ATOM 535 O PHE 1 38 5.688 -10.330 8.678 1.00 0.00 O ATOM 536 CB PHE 1 38 7.566 -8.010 8.585 1.00 0.00 C ATOM 537 CG PHE 1 38 8.961 -8.547 8.909 1.00 0.00 C ATOM 538 CD1 PHE 1 38 10.020 -8.206 8.126 1.00 0.00 C ATOM 539 CD2 PHE 1 38 9.144 -9.364 9.981 1.00 0.00 C ATOM 540 CE1 PHE 1 38 11.315 -8.704 8.427 1.00 0.00 C ATOM 541 CE2 PHE 1 38 10.439 -9.862 10.282 1.00 0.00 C ATOM 542 CZ PHE 1 38 11.497 -9.521 9.499 1.00 0.00 C ATOM 0 H PHE 1 38 5.355 -7.345 7.827 1.00 0.00 H new ATOM 0 HA PHE 1 38 7.556 -8.757 6.530 1.00 0.00 H new ATOM 0 HB2 PHE 1 38 7.638 -6.942 8.380 1.00 0.00 H new ATOM 0 HB3 PHE 1 38 6.931 -8.124 9.463 1.00 0.00 H new ATOM 0 HD1 PHE 1 38 9.876 -7.556 7.275 1.00 0.00 H new ATOM 0 HD2 PHE 1 38 8.304 -9.634 10.604 1.00 0.00 H new ATOM 0 HE1 PHE 1 38 12.155 -8.434 7.805 1.00 0.00 H new ATOM 0 HE2 PHE 1 38 10.584 -10.511 11.133 1.00 0.00 H new ATOM 0 HZ PHE 1 38 12.482 -9.899 9.728 1.00 0.00 H new ATOM 552 N ASP 1 39 7.148 -11.081 7.123 1.00 0.00 N ATOM 553 CA ASP 1 39 6.888 -12.484 7.396 1.00 0.00 C ATOM 554 C ASP 1 39 7.469 -12.848 8.764 1.00 0.00 C ATOM 555 O ASP 1 39 6.850 -12.589 9.794 1.00 0.00 O ATOM 556 CB ASP 1 39 7.550 -13.381 6.348 1.00 0.00 C ATOM 557 CG ASP 1 39 7.567 -14.872 6.690 1.00 0.00 C ATOM 558 OD1 ASP 1 39 6.487 -15.383 7.057 1.00 0.00 O ATOM 559 OD2 ASP 1 39 8.661 -15.468 6.577 1.00 0.00 O ATOM 0 H ASP 1 39 7.837 -10.910 6.391 1.00 0.00 H new ATOM 0 HA ASP 1 39 5.809 -12.638 7.373 1.00 0.00 H new ATOM 0 HB2 ASP 1 39 7.032 -13.247 5.398 1.00 0.00 H new ATOM 0 HB3 ASP 1 39 8.577 -13.046 6.201 1.00 0.00 H new ATOM 564 N SER 1 40 8.652 -13.444 8.730 1.00 0.00 N ATOM 565 CA SER 1 40 9.323 -13.846 9.954 1.00 0.00 C ATOM 566 C SER 1 40 8.999 -15.307 10.273 1.00 0.00 C ATOM 567 O SER 1 40 9.645 -15.920 11.121 1.00 0.00 O ATOM 568 CB SER 1 40 8.922 -12.946 11.123 1.00 0.00 C ATOM 569 OG SER 1 40 9.919 -12.915 12.141 1.00 0.00 O ATOM 0 H SER 1 40 9.163 -13.658 7.874 1.00 0.00 H new ATOM 0 HA SER 1 40 10.398 -13.743 9.804 1.00 0.00 H new ATOM 0 HB2 SER 1 40 8.746 -11.934 10.757 1.00 0.00 H new ATOM 0 HB3 SER 1 40 7.982 -13.300 11.547 1.00 0.00 H new ATOM 0 HG SER 1 40 9.625 -12.328 12.869 1.00 0.00 H new ATOM 575 N ARG 1 41 7.998 -15.823 9.576 1.00 0.00 N ATOM 576 CA ARG 1 41 7.579 -17.200 9.773 1.00 0.00 C ATOM 577 C ARG 1 41 8.378 -18.134 8.861 1.00 0.00 C ATOM 578 O ARG 1 41 8.965 -19.110 9.326 1.00 0.00 O ATOM 579 CB ARG 1 41 6.086 -17.370 9.485 1.00 0.00 C ATOM 580 CG ARG 1 41 5.254 -16.378 10.302 1.00 0.00 C ATOM 581 CD ARG 1 41 4.071 -17.079 10.972 1.00 0.00 C ATOM 582 NE ARG 1 41 4.160 -16.930 12.442 1.00 0.00 N ATOM 583 CZ ARG 1 41 4.973 -17.655 13.222 1.00 0.00 C ATOM 584 NH1 ARG 1 41 5.770 -18.585 12.678 1.00 0.00 N ATOM 585 NH2 ARG 1 41 4.988 -17.452 14.547 1.00 0.00 N ATOM 0 H ARG 1 41 7.464 -15.312 8.873 1.00 0.00 H new ATOM 0 HA ARG 1 41 7.766 -17.457 10.816 1.00 0.00 H new ATOM 0 HB2 ARG 1 41 5.897 -17.220 8.422 1.00 0.00 H new ATOM 0 HB3 ARG 1 41 5.780 -18.389 9.722 1.00 0.00 H new ATOM 0 HG2 ARG 1 41 5.881 -15.909 11.060 1.00 0.00 H new ATOM 0 HG3 ARG 1 41 4.890 -15.582 9.653 1.00 0.00 H new ATOM 0 HD2 ARG 1 41 3.134 -16.654 10.611 1.00 0.00 H new ATOM 0 HD3 ARG 1 41 4.065 -18.136 10.705 1.00 0.00 H new ATOM 0 HE ARG 1 41 3.565 -16.232 12.889 1.00 0.00 H new ATOM 0 HH11 ARG 1 41 5.758 -18.741 11.670 1.00 0.00 H new ATOM 0 HH12 ARG 1 41 6.389 -19.137 13.272 1.00 0.00 H new ATOM 0 HH21 ARG 1 41 4.380 -16.745 14.962 1.00 0.00 H new ATOM 0 HH22 ARG 1 41 5.607 -18.004 15.141 1.00 0.00 H new ATOM 599 N ILE 1 42 8.372 -17.802 7.578 1.00 0.00 N ATOM 600 CA ILE 1 42 9.088 -18.598 6.596 1.00 0.00 C ATOM 601 C ILE 1 42 10.220 -17.763 5.996 1.00 0.00 C ATOM 602 O ILE 1 42 9.971 -16.828 5.236 1.00 0.00 O ATOM 603 CB ILE 1 42 8.120 -19.161 5.554 1.00 0.00 C ATOM 604 CG1 ILE 1 42 6.753 -19.453 6.176 1.00 0.00 C ATOM 605 CG2 ILE 1 42 8.711 -20.393 4.865 1.00 0.00 C ATOM 606 CD1 ILE 1 42 6.069 -20.626 5.472 1.00 0.00 C ATOM 0 H ILE 1 42 7.883 -16.993 7.196 1.00 0.00 H new ATOM 0 HA ILE 1 42 9.548 -19.465 7.071 1.00 0.00 H new ATOM 0 HB ILE 1 42 7.969 -18.404 4.785 1.00 0.00 H new ATOM 0 HG12 ILE 1 42 6.873 -19.680 7.235 1.00 0.00 H new ATOM 0 HG13 ILE 1 42 6.122 -18.566 6.109 1.00 0.00 H new ATOM 0 HG21 ILE 1 42 8.002 -20.773 4.129 1.00 0.00 H new ATOM 0 HG22 ILE 1 42 9.641 -20.120 4.366 1.00 0.00 H new ATOM 0 HG23 ILE 1 42 8.911 -21.165 5.608 1.00 0.00 H new ATOM 0 HD11 ILE 1 42 5.099 -20.812 5.934 1.00 0.00 H new ATOM 0 HD12 ILE 1 42 5.929 -20.386 4.418 1.00 0.00 H new ATOM 0 HD13 ILE 1 42 6.691 -21.517 5.562 1.00 0.00 H new ATOM 618 N PRO 1 43 11.472 -18.139 6.369 1.00 0.00 N ATOM 619 CA PRO 1 43 12.644 -17.435 5.876 1.00 0.00 C ATOM 620 C PRO 1 43 12.931 -17.802 4.418 1.00 0.00 C ATOM 621 O PRO 1 43 13.854 -17.263 3.809 1.00 0.00 O ATOM 622 CB PRO 1 43 13.767 -17.830 6.820 1.00 0.00 C ATOM 623 CG PRO 1 43 13.297 -19.094 7.521 1.00 0.00 C ATOM 624 CD PRO 1 43 11.806 -19.241 7.267 1.00 0.00 C ATOM 0 HA PRO 1 43 12.512 -16.353 5.867 1.00 0.00 H new ATOM 0 HB2 PRO 1 43 14.693 -18.008 6.273 1.00 0.00 H new ATOM 0 HB3 PRO 1 43 13.970 -17.037 7.540 1.00 0.00 H new ATOM 0 HG2 PRO 1 43 13.836 -19.963 7.143 1.00 0.00 H new ATOM 0 HG3 PRO 1 43 13.498 -19.034 8.591 1.00 0.00 H new ATOM 0 HD2 PRO 1 43 11.575 -20.205 6.814 1.00 0.00 H new ATOM 0 HD3 PRO 1 43 11.238 -19.181 8.196 1.00 0.00 H new ATOM 632 N GLY 1 44 12.123 -18.715 3.901 1.00 0.00 N ATOM 633 CA GLY 1 44 12.278 -19.160 2.527 1.00 0.00 C ATOM 634 C GLY 1 44 11.317 -18.417 1.598 1.00 0.00 C ATOM 635 O GLY 1 44 11.323 -18.637 0.388 1.00 0.00 O ATOM 0 H GLY 1 44 11.358 -19.159 4.409 1.00 0.00 H new ATOM 0 HA2 GLY 1 44 13.305 -18.995 2.201 1.00 0.00 H new ATOM 0 HA3 GLY 1 44 12.093 -20.232 2.465 1.00 0.00 H new ATOM 639 N VAL 1 45 10.515 -17.551 2.199 1.00 0.00 N ATOM 640 CA VAL 1 45 9.550 -16.773 1.440 1.00 0.00 C ATOM 641 C VAL 1 45 9.847 -15.283 1.622 1.00 0.00 C ATOM 642 O VAL 1 45 10.824 -14.916 2.272 1.00 0.00 O ATOM 643 CB VAL 1 45 8.127 -17.153 1.856 1.00 0.00 C ATOM 644 CG1 VAL 1 45 8.045 -18.635 2.232 1.00 0.00 C ATOM 645 CG2 VAL 1 45 7.636 -16.268 3.004 1.00 0.00 C ATOM 0 H VAL 1 45 10.513 -17.371 3.203 1.00 0.00 H new ATOM 0 HA VAL 1 45 9.634 -16.995 0.376 1.00 0.00 H new ATOM 0 HB VAL 1 45 7.471 -16.986 1.001 1.00 0.00 H new ATOM 0 HG11 VAL 1 45 7.024 -18.880 2.524 1.00 0.00 H new ATOM 0 HG12 VAL 1 45 8.334 -19.244 1.376 1.00 0.00 H new ATOM 0 HG13 VAL 1 45 8.719 -18.837 3.065 1.00 0.00 H new ATOM 0 HG21 VAL 1 45 6.623 -16.559 3.280 1.00 0.00 H new ATOM 0 HG22 VAL 1 45 8.295 -16.388 3.864 1.00 0.00 H new ATOM 0 HG23 VAL 1 45 7.640 -15.225 2.687 1.00 0.00 H new ATOM 655 N PRO 1 46 8.964 -14.443 1.018 1.00 0.00 N ATOM 656 CA PRO 1 46 9.121 -13.002 1.107 1.00 0.00 C ATOM 657 C PRO 1 46 8.717 -12.489 2.491 1.00 0.00 C ATOM 658 O PRO 1 46 7.583 -12.690 2.924 1.00 0.00 O ATOM 659 CB PRO 1 46 8.256 -12.441 -0.010 1.00 0.00 C ATOM 660 CG PRO 1 46 7.287 -13.552 -0.383 1.00 0.00 C ATOM 661 CD PRO 1 46 7.795 -14.842 0.239 1.00 0.00 C ATOM 0 HA PRO 1 46 10.157 -12.685 0.988 1.00 0.00 H new ATOM 0 HB2 PRO 1 46 7.721 -11.550 0.320 1.00 0.00 H new ATOM 0 HB3 PRO 1 46 8.864 -12.149 -0.866 1.00 0.00 H new ATOM 0 HG2 PRO 1 46 6.285 -13.322 -0.021 1.00 0.00 H new ATOM 0 HG3 PRO 1 46 7.219 -13.651 -1.466 1.00 0.00 H new ATOM 0 HD2 PRO 1 46 7.036 -15.302 0.872 1.00 0.00 H new ATOM 0 HD3 PRO 1 46 8.059 -15.573 -0.525 1.00 0.00 H new ATOM 669 N TRP 1 47 9.666 -11.837 3.146 1.00 0.00 N ATOM 670 CA TRP 1 47 9.423 -11.295 4.472 1.00 0.00 C ATOM 671 C TRP 1 47 9.023 -9.827 4.316 1.00 0.00 C ATOM 672 O TRP 1 47 9.257 -9.017 5.212 1.00 0.00 O ATOM 673 CB TRP 1 47 10.641 -11.490 5.377 1.00 0.00 C ATOM 674 CG TRP 1 47 11.643 -12.524 4.857 1.00 0.00 C ATOM 675 CD1 TRP 1 47 11.572 -13.859 4.949 1.00 0.00 C ATOM 676 CD2 TRP 1 47 12.875 -12.251 4.158 1.00 0.00 C ATOM 677 NE1 TRP 1 47 12.664 -14.465 4.362 1.00 0.00 N ATOM 678 CE2 TRP 1 47 13.482 -13.456 3.866 1.00 0.00 C ATOM 679 CE3 TRP 1 47 13.459 -11.029 3.784 1.00 0.00 C ATOM 680 CZ2 TRP 1 47 14.703 -13.555 3.188 1.00 0.00 C ATOM 681 CZ3 TRP 1 47 14.678 -11.144 3.108 1.00 0.00 C ATOM 682 CH2 TRP 1 47 15.302 -12.349 2.806 1.00 0.00 C ATOM 0 H TRP 1 47 10.605 -11.672 2.783 1.00 0.00 H new ATOM 0 HA TRP 1 47 8.609 -11.828 4.963 1.00 0.00 H new ATOM 0 HB2 TRP 1 47 11.150 -10.533 5.495 1.00 0.00 H new ATOM 0 HB3 TRP 1 47 10.301 -11.795 6.367 1.00 0.00 H new ATOM 0 HD1 TRP 1 47 10.762 -14.393 5.423 1.00 0.00 H new ATOM 0 HE1 TRP 1 47 12.839 -15.468 4.303 1.00 0.00 H new ATOM 0 HE3 TRP 1 47 13.002 -10.075 4.002 1.00 0.00 H new ATOM 0 HZ2 TRP 1 47 15.158 -14.510 2.971 1.00 0.00 H new ATOM 0 HZ3 TRP 1 47 15.169 -10.233 2.799 1.00 0.00 H new ATOM 0 HH2 TRP 1 47 16.245 -12.355 2.279 1.00 0.00 H new ATOM 693 N CYS 1 48 8.427 -9.527 3.172 1.00 0.00 N ATOM 694 CA CYS 1 48 7.992 -8.170 2.887 1.00 0.00 C ATOM 695 C CYS 1 48 7.087 -8.204 1.653 1.00 0.00 C ATOM 696 O CYS 1 48 7.573 -8.268 0.525 1.00 0.00 O ATOM 697 CB CYS 1 48 9.179 -7.224 2.698 1.00 0.00 C ATOM 698 SG CYS 1 48 8.744 -5.448 2.638 1.00 0.00 S ATOM 0 H CYS 1 48 8.235 -10.201 2.431 1.00 0.00 H new ATOM 0 HA CYS 1 48 7.432 -7.779 3.736 1.00 0.00 H new ATOM 0 HB2 CYS 1 48 9.885 -7.383 3.513 1.00 0.00 H new ATOM 0 HB3 CYS 1 48 9.693 -7.489 1.774 1.00 0.00 H new ATOM 703 N PHE 1 49 5.788 -8.161 1.910 1.00 0.00 N ATOM 704 CA PHE 1 49 4.812 -8.187 0.834 1.00 0.00 C ATOM 705 C PHE 1 49 3.672 -7.203 1.105 1.00 0.00 C ATOM 706 O PHE 1 49 3.740 -6.412 2.045 1.00 0.00 O ATOM 707 CB PHE 1 49 4.243 -9.606 0.781 1.00 0.00 C ATOM 708 CG PHE 1 49 4.266 -10.337 2.124 1.00 0.00 C ATOM 709 CD1 PHE 1 49 5.453 -10.644 2.712 1.00 0.00 C ATOM 710 CD2 PHE 1 49 3.098 -10.680 2.731 1.00 0.00 C ATOM 711 CE1 PHE 1 49 5.474 -11.322 3.959 1.00 0.00 C ATOM 712 CE2 PHE 1 49 3.119 -11.359 3.978 1.00 0.00 C ATOM 713 CZ PHE 1 49 4.307 -11.666 4.565 1.00 0.00 C ATOM 0 H PHE 1 49 5.389 -8.108 2.847 1.00 0.00 H new ATOM 0 HA PHE 1 49 5.286 -7.903 -0.106 1.00 0.00 H new ATOM 0 HB2 PHE 1 49 3.215 -9.561 0.421 1.00 0.00 H new ATOM 0 HB3 PHE 1 49 4.810 -10.187 0.053 1.00 0.00 H new ATOM 0 HD1 PHE 1 49 6.380 -10.372 2.230 1.00 0.00 H new ATOM 0 HD2 PHE 1 49 2.155 -10.436 2.265 1.00 0.00 H new ATOM 0 HE1 PHE 1 49 6.417 -11.564 4.426 1.00 0.00 H new ATOM 0 HE2 PHE 1 49 2.192 -11.632 4.460 1.00 0.00 H new ATOM 0 HZ PHE 1 49 4.323 -12.183 5.513 1.00 0.00 H new ATOM 723 N LYS 1 50 2.651 -7.284 0.265 1.00 0.00 N ATOM 724 CA LYS 1 50 1.498 -6.410 0.403 1.00 0.00 C ATOM 725 C LYS 1 50 0.235 -7.260 0.554 1.00 0.00 C ATOM 726 O LYS 1 50 -0.605 -7.295 -0.345 1.00 0.00 O ATOM 727 CB LYS 1 50 1.436 -5.418 -0.760 1.00 0.00 C ATOM 728 CG LYS 1 50 1.539 -6.140 -2.104 1.00 0.00 C ATOM 729 CD LYS 1 50 2.677 -5.565 -2.950 1.00 0.00 C ATOM 730 CE LYS 1 50 4.011 -6.225 -2.594 1.00 0.00 C ATOM 731 NZ LYS 1 50 4.801 -6.491 -3.816 1.00 0.00 N ATOM 0 H LYS 1 50 2.598 -7.941 -0.513 1.00 0.00 H new ATOM 0 HA LYS 1 50 1.585 -5.804 1.305 1.00 0.00 H new ATOM 0 HB2 LYS 1 50 0.502 -4.858 -0.715 1.00 0.00 H new ATOM 0 HB3 LYS 1 50 2.246 -4.695 -0.669 1.00 0.00 H new ATOM 0 HG2 LYS 1 50 1.707 -7.204 -1.937 1.00 0.00 H new ATOM 0 HG3 LYS 1 50 0.597 -6.047 -2.644 1.00 0.00 H new ATOM 0 HD2 LYS 1 50 2.462 -5.718 -4.008 1.00 0.00 H new ATOM 0 HD3 LYS 1 50 2.745 -4.489 -2.791 1.00 0.00 H new ATOM 0 HE2 LYS 1 50 4.576 -5.578 -1.923 1.00 0.00 H new ATOM 0 HE3 LYS 1 50 3.831 -7.158 -2.060 1.00 0.00 H new ATOM 0 HZ1 LYS 1 50 5.347 -7.367 -3.692 1.00 0.00 H new ATOM 0 HZ2 LYS 1 50 4.160 -6.594 -4.628 1.00 0.00 H new ATOM 0 HZ3 LYS 1 50 5.452 -5.699 -3.988 1.00 0.00 H new ATOM 745 N PRO 1 51 0.136 -7.942 1.726 1.00 0.00 N ATOM 746 CA PRO 1 51 -1.010 -8.789 2.005 1.00 0.00 C ATOM 747 C PRO 1 51 -2.242 -7.949 2.350 1.00 0.00 C ATOM 748 O PRO 1 51 -2.927 -7.452 1.459 1.00 0.00 O ATOM 749 CB PRO 1 51 -0.566 -9.689 3.147 1.00 0.00 C ATOM 750 CG PRO 1 51 0.640 -9.005 3.771 1.00 0.00 C ATOM 751 CD PRO 1 51 1.111 -7.925 2.813 1.00 0.00 C ATOM 0 HA PRO 1 51 -1.314 -9.383 1.143 1.00 0.00 H new ATOM 0 HB2 PRO 1 51 -1.365 -9.816 3.878 1.00 0.00 H new ATOM 0 HB3 PRO 1 51 -0.306 -10.683 2.783 1.00 0.00 H new ATOM 0 HG2 PRO 1 51 0.376 -8.571 4.735 1.00 0.00 H new ATOM 0 HG3 PRO 1 51 1.436 -9.727 3.954 1.00 0.00 H new ATOM 0 HD2 PRO 1 51 1.144 -6.950 3.300 1.00 0.00 H new ATOM 0 HD3 PRO 1 51 2.116 -8.132 2.446 1.00 0.00 H new ATOM 759 N LEU 1 52 -2.484 -7.818 3.647 1.00 0.00 N ATOM 760 CA LEU 1 52 -3.621 -7.047 4.120 1.00 0.00 C ATOM 761 C LEU 1 52 -3.178 -5.608 4.392 1.00 0.00 C ATOM 762 O LEU 1 52 -3.693 -4.957 5.300 1.00 0.00 O ATOM 763 CB LEU 1 52 -4.266 -7.731 5.328 1.00 0.00 C ATOM 764 CG LEU 1 52 -3.640 -7.417 6.689 1.00 0.00 C ATOM 765 CD1 LEU 1 52 -4.552 -6.504 7.513 1.00 0.00 C ATOM 766 CD2 LEU 1 52 -3.286 -8.701 7.439 1.00 0.00 C ATOM 0 H LEU 1 52 -1.913 -8.232 4.383 1.00 0.00 H new ATOM 0 HA LEU 1 52 -4.397 -7.003 3.355 1.00 0.00 H new ATOM 0 HB2 LEU 1 52 -5.319 -7.450 5.361 1.00 0.00 H new ATOM 0 HB3 LEU 1 52 -4.229 -8.809 5.173 1.00 0.00 H new ATOM 0 HG LEU 1 52 -2.709 -6.876 6.521 1.00 0.00 H new ATOM 0 HD11 LEU 1 52 -4.085 -6.296 8.475 1.00 0.00 H new ATOM 0 HD12 LEU 1 52 -4.711 -5.568 6.977 1.00 0.00 H new ATOM 0 HD13 LEU 1 52 -5.511 -6.997 7.674 1.00 0.00 H new ATOM 0 HD21 LEU 1 52 -2.843 -8.449 8.403 1.00 0.00 H new ATOM 0 HD22 LEU 1 52 -4.189 -9.290 7.598 1.00 0.00 H new ATOM 0 HD23 LEU 1 52 -2.573 -9.280 6.852 1.00 0.00 H new ATOM 778 N GLN 1 53 -2.226 -5.153 3.589 1.00 0.00 N ATOM 779 CA GLN 1 53 -1.709 -3.803 3.731 1.00 0.00 C ATOM 780 C GLN 1 53 -2.853 -2.789 3.693 1.00 0.00 C ATOM 781 O GLN 1 53 -2.692 -1.649 4.125 1.00 0.00 O ATOM 782 CB GLN 1 53 -0.670 -3.498 2.650 1.00 0.00 C ATOM 783 CG GLN 1 53 0.532 -4.440 2.764 1.00 0.00 C ATOM 784 CD GLN 1 53 1.134 -4.394 4.170 1.00 0.00 C ATOM 785 OE1 GLN 1 53 1.915 -3.522 4.511 1.00 0.00 O ATOM 786 NE2 GLN 1 53 0.726 -5.380 4.965 1.00 0.00 N ATOM 0 H GLN 1 53 -1.800 -5.696 2.838 1.00 0.00 H new ATOM 0 HA GLN 1 53 -1.213 -3.725 4.699 1.00 0.00 H new ATOM 0 HB2 GLN 1 53 -1.124 -3.600 1.664 1.00 0.00 H new ATOM 0 HB3 GLN 1 53 -0.337 -2.464 2.742 1.00 0.00 H new ATOM 0 HG2 GLN 1 53 0.223 -5.459 2.530 1.00 0.00 H new ATOM 0 HG3 GLN 1 53 1.289 -4.160 2.031 1.00 0.00 H new ATOM 0 HE21 GLN 1 53 0.070 -6.078 4.616 1.00 0.00 H new ATOM 0 HE22 GLN 1 53 1.069 -5.437 5.924 1.00 0.00 H new ATOM 795 N GLU 1 54 -3.985 -3.241 3.172 1.00 0.00 N ATOM 796 CA GLU 1 54 -5.156 -2.387 3.072 1.00 0.00 C ATOM 797 C GLU 1 54 -5.343 -1.588 4.364 1.00 0.00 C ATOM 798 O GLU 1 54 -5.944 -0.515 4.354 1.00 0.00 O ATOM 799 CB GLU 1 54 -6.407 -3.206 2.749 1.00 0.00 C ATOM 800 CG GLU 1 54 -7.106 -3.667 4.029 1.00 0.00 C ATOM 801 CD GLU 1 54 -8.259 -2.730 4.393 1.00 0.00 C ATOM 802 OE1 GLU 1 54 -7.961 -1.661 4.968 1.00 0.00 O ATOM 803 OE2 GLU 1 54 -9.412 -3.102 4.087 1.00 0.00 O ATOM 0 H GLU 1 54 -4.116 -4.187 2.815 1.00 0.00 H new ATOM 0 HA GLU 1 54 -5.000 -1.685 2.253 1.00 0.00 H new ATOM 0 HB2 GLU 1 54 -7.094 -2.607 2.151 1.00 0.00 H new ATOM 0 HB3 GLU 1 54 -6.133 -4.073 2.147 1.00 0.00 H new ATOM 0 HG2 GLU 1 54 -7.485 -4.680 3.896 1.00 0.00 H new ATOM 0 HG3 GLU 1 54 -6.388 -3.700 4.848 1.00 0.00 H new ATOM 810 N ALA 1 55 -4.817 -2.143 5.446 1.00 0.00 N ATOM 811 CA ALA 1 55 -4.918 -1.497 6.744 1.00 0.00 C ATOM 812 C ALA 1 55 -4.763 0.016 6.569 1.00 0.00 C ATOM 813 O ALA 1 55 -5.705 0.771 6.805 1.00 0.00 O ATOM 814 CB ALA 1 55 -3.870 -2.084 7.691 1.00 0.00 C ATOM 0 H ALA 1 55 -4.319 -3.033 5.451 1.00 0.00 H new ATOM 0 HA ALA 1 55 -5.897 -1.680 7.188 1.00 0.00 H new ATOM 0 HB1 ALA 1 55 -3.947 -1.599 8.664 1.00 0.00 H new ATOM 0 HB2 ALA 1 55 -4.041 -3.154 7.805 1.00 0.00 H new ATOM 0 HB3 ALA 1 55 -2.874 -1.918 7.280 1.00 0.00 H new ATOM 820 N GLU 1 56 -3.568 0.411 6.156 1.00 0.00 N ATOM 821 CA GLU 1 56 -3.278 1.820 5.946 1.00 0.00 C ATOM 822 C GLU 1 56 -2.499 2.014 4.644 1.00 0.00 C ATOM 823 O GLU 1 56 -1.775 2.996 4.489 1.00 0.00 O ATOM 824 CB GLU 1 56 -2.512 2.405 7.135 1.00 0.00 C ATOM 825 CG GLU 1 56 -1.162 1.708 7.315 1.00 0.00 C ATOM 826 CD GLU 1 56 -0.077 2.708 7.720 1.00 0.00 C ATOM 827 OE1 GLU 1 56 0.008 3.757 7.045 1.00 0.00 O ATOM 828 OE2 GLU 1 56 0.641 2.402 8.696 1.00 0.00 O ATOM 0 H GLU 1 56 -2.790 -0.219 5.961 1.00 0.00 H new ATOM 0 HA GLU 1 56 -4.223 2.357 5.864 1.00 0.00 H new ATOM 0 HB2 GLU 1 56 -2.356 3.473 6.982 1.00 0.00 H new ATOM 0 HB3 GLU 1 56 -3.105 2.296 8.043 1.00 0.00 H new ATOM 0 HG2 GLU 1 56 -1.248 0.932 8.076 1.00 0.00 H new ATOM 0 HG3 GLU 1 56 -0.877 1.214 6.386 1.00 0.00 H new ATOM 835 N CYS 1 57 -2.674 1.060 3.741 1.00 0.00 N ATOM 836 CA CYS 1 57 -1.997 1.113 2.456 1.00 0.00 C ATOM 837 C CYS 1 57 -3.020 1.504 1.389 1.00 0.00 C ATOM 838 O CYS 1 57 -2.790 2.431 0.613 1.00 0.00 O ATOM 839 CB CYS 1 57 -1.306 -0.211 2.125 1.00 0.00 C ATOM 840 SG CYS 1 57 0.070 -0.081 0.925 1.00 0.00 S ATOM 0 H CYS 1 57 -3.275 0.246 3.874 1.00 0.00 H new ATOM 0 HA CYS 1 57 -1.206 1.862 2.491 1.00 0.00 H new ATOM 0 HB2 CYS 1 57 -0.924 -0.646 3.049 1.00 0.00 H new ATOM 0 HB3 CYS 1 57 -2.049 -0.904 1.730 1.00 0.00 H new ATOM 845 N THR 1 58 -4.129 0.779 1.383 1.00 0.00 N ATOM 846 CA THR 1 58 -5.189 1.038 0.423 1.00 0.00 C ATOM 847 C THR 1 58 -6.025 2.241 0.866 1.00 0.00 C ATOM 848 O THR 1 58 -6.368 3.097 0.052 1.00 0.00 O ATOM 849 CB THR 1 58 -6.006 -0.245 0.264 1.00 0.00 C ATOM 850 OG1 THR 1 58 -6.585 -0.127 -1.034 1.00 0.00 O ATOM 851 CG2 THR 1 58 -7.211 -0.294 1.206 1.00 0.00 C ATOM 0 H THR 1 58 -4.317 0.012 2.028 1.00 0.00 H new ATOM 0 HA THR 1 58 -4.784 1.305 -0.553 1.00 0.00 H new ATOM 0 HB THR 1 58 -5.366 -1.108 0.449 1.00 0.00 H new ATOM 0 HG1 THR 1 58 -7.514 0.173 -0.952 1.00 0.00 H new ATOM 0 HG21 THR 1 58 -7.756 -1.225 1.052 1.00 0.00 H new ATOM 0 HG22 THR 1 58 -6.868 -0.241 2.239 1.00 0.00 H new ATOM 0 HG23 THR 1 58 -7.869 0.550 0.999 1.00 0.00 H new ATOM 859 N PHE 1 59 -6.331 2.266 2.155 1.00 0.00 N ATOM 860 CA PHE 1 59 -7.122 3.349 2.716 1.00 0.00 C ATOM 861 C PHE 1 59 -6.831 4.669 1.998 1.00 0.00 C ATOM 862 O PHE 1 59 -6.391 5.634 2.620 1.00 0.00 O ATOM 863 CB PHE 1 59 -6.718 3.482 4.185 1.00 0.00 C ATOM 864 CG PHE 1 59 -7.595 4.448 4.986 1.00 0.00 C ATOM 865 CD1 PHE 1 59 -8.833 4.062 5.396 1.00 0.00 C ATOM 866 CD2 PHE 1 59 -7.136 5.692 5.288 1.00 0.00 C ATOM 867 CE1 PHE 1 59 -9.646 4.957 6.138 1.00 0.00 C ATOM 868 CE2 PHE 1 59 -7.950 6.588 6.031 1.00 0.00 C ATOM 869 CZ PHE 1 59 -9.187 6.202 6.440 1.00 0.00 C ATOM 0 H PHE 1 59 -6.046 1.554 2.827 1.00 0.00 H new ATOM 0 HA PHE 1 59 -8.184 3.132 2.604 1.00 0.00 H new ATOM 0 HB2 PHE 1 59 -6.758 2.498 4.653 1.00 0.00 H new ATOM 0 HB3 PHE 1 59 -5.683 3.818 4.238 1.00 0.00 H new ATOM 0 HD1 PHE 1 59 -9.197 3.074 5.157 1.00 0.00 H new ATOM 0 HD2 PHE 1 59 -6.153 5.999 4.963 1.00 0.00 H new ATOM 0 HE1 PHE 1 59 -10.629 4.650 6.463 1.00 0.00 H new ATOM 0 HE2 PHE 1 59 -7.586 7.576 6.271 1.00 0.00 H new ATOM 0 HZ PHE 1 59 -9.806 6.883 7.005 1.00 0.00 H new TER 879 PHE 1 59 ATOM 880 N GLU 2 1 -20.946 3.585 0.785 1.00 0.00 N ATOM 881 CA GLU 2 1 -19.792 3.622 -0.097 1.00 0.00 C ATOM 882 C GLU 2 1 -18.923 2.381 0.114 1.00 0.00 C ATOM 883 O GLU 2 1 -18.195 2.288 1.101 1.00 0.00 O ATOM 884 CB GLU 2 1 -18.981 4.902 0.114 1.00 0.00 C ATOM 885 CG GLU 2 1 -19.780 6.134 -0.315 1.00 0.00 C ATOM 886 CD GLU 2 1 -20.225 6.950 0.901 1.00 0.00 C ATOM 887 OE1 GLU 2 1 -20.715 6.316 1.861 1.00 0.00 O ATOM 888 OE2 GLU 2 1 -20.064 8.188 0.843 1.00 0.00 O ATOM 0 H1 GLU 2 1 -21.810 3.457 0.221 1.00 0.00 H new ATOM 0 H2 GLU 2 1 -20.848 2.793 1.452 1.00 0.00 H new ATOM 0 H3 GLU 2 1 -21.007 4.478 1.314 1.00 0.00 H new ATOM 0 HA GLU 2 1 -20.147 3.622 -1.128 1.00 0.00 H new ATOM 0 HB2 GLU 2 1 -18.703 4.992 1.164 1.00 0.00 H new ATOM 0 HB3 GLU 2 1 -18.054 4.848 -0.457 1.00 0.00 H new ATOM 0 HG2 GLU 2 1 -19.172 6.756 -0.972 1.00 0.00 H new ATOM 0 HG3 GLU 2 1 -20.653 5.824 -0.889 1.00 0.00 H new ATOM 895 N GLU 2 2 -19.026 1.457 -0.831 1.00 0.00 N ATOM 896 CA GLU 2 2 -18.258 0.225 -0.761 1.00 0.00 C ATOM 897 C GLU 2 2 -16.860 0.438 -1.345 1.00 0.00 C ATOM 898 O GLU 2 2 -16.065 1.202 -0.799 1.00 0.00 O ATOM 899 CB GLU 2 2 -18.984 -0.914 -1.477 1.00 0.00 C ATOM 900 CG GLU 2 2 -20.260 -1.308 -0.730 1.00 0.00 C ATOM 901 CD GLU 2 2 -20.455 -2.826 -0.740 1.00 0.00 C ATOM 902 OE1 GLU 2 2 -20.880 -3.336 -1.799 1.00 0.00 O ATOM 903 OE2 GLU 2 2 -20.175 -3.441 0.312 1.00 0.00 O ATOM 0 H GLU 2 2 -19.630 1.537 -1.649 1.00 0.00 H new ATOM 0 HA GLU 2 2 -18.154 -0.057 0.287 1.00 0.00 H new ATOM 0 HB2 GLU 2 2 -19.233 -0.609 -2.493 1.00 0.00 H new ATOM 0 HB3 GLU 2 2 -18.324 -1.778 -1.556 1.00 0.00 H new ATOM 0 HG2 GLU 2 2 -20.208 -0.951 0.299 1.00 0.00 H new ATOM 0 HG3 GLU 2 2 -21.120 -0.824 -1.192 1.00 0.00 H new ATOM 910 N TYR 2 3 -16.602 -0.251 -2.446 1.00 0.00 N ATOM 911 CA TYR 2 3 -15.314 -0.148 -3.110 1.00 0.00 C ATOM 912 C TYR 2 3 -15.317 0.984 -4.139 1.00 0.00 C ATOM 913 O TYR 2 3 -15.314 0.734 -5.342 1.00 0.00 O ATOM 914 CB TYR 2 3 -15.106 -1.479 -3.835 1.00 0.00 C ATOM 915 CG TYR 2 3 -16.405 -2.168 -4.258 1.00 0.00 C ATOM 916 CD1 TYR 2 3 -17.178 -1.624 -5.264 1.00 0.00 C ATOM 917 CD2 TYR 2 3 -16.803 -3.333 -3.634 1.00 0.00 C ATOM 918 CE1 TYR 2 3 -18.400 -2.273 -5.662 1.00 0.00 C ATOM 919 CE2 TYR 2 3 -18.025 -3.981 -4.033 1.00 0.00 C ATOM 920 CZ TYR 2 3 -18.764 -3.419 -5.026 1.00 0.00 C ATOM 921 OH TYR 2 3 -19.918 -4.031 -5.403 1.00 0.00 O ATOM 0 H TYR 2 3 -17.264 -0.884 -2.896 1.00 0.00 H new ATOM 0 HA TYR 2 3 -14.525 0.063 -2.388 1.00 0.00 H new ATOM 0 HB2 TYR 2 3 -14.493 -1.307 -4.720 1.00 0.00 H new ATOM 0 HB3 TYR 2 3 -14.545 -2.151 -3.185 1.00 0.00 H new ATOM 0 HD1 TYR 2 3 -16.866 -0.712 -5.752 1.00 0.00 H new ATOM 0 HD2 TYR 2 3 -16.198 -3.758 -2.847 1.00 0.00 H new ATOM 0 HE1 TYR 2 3 -19.014 -1.859 -6.448 1.00 0.00 H new ATOM 0 HE2 TYR 2 3 -18.348 -4.894 -3.554 1.00 0.00 H new ATOM 0 HH TYR 2 3 -20.051 -4.839 -4.864 1.00 0.00 H new ATOM 931 N VAL 2 4 -15.322 2.206 -3.627 1.00 0.00 N ATOM 932 CA VAL 2 4 -15.326 3.377 -4.485 1.00 0.00 C ATOM 933 C VAL 2 4 -14.262 4.364 -3.999 1.00 0.00 C ATOM 934 O VAL 2 4 -13.439 4.833 -4.784 1.00 0.00 O ATOM 935 CB VAL 2 4 -16.728 3.987 -4.535 1.00 0.00 C ATOM 936 CG1 VAL 2 4 -17.500 3.488 -5.757 1.00 0.00 C ATOM 937 CG2 VAL 2 4 -17.497 3.697 -3.244 1.00 0.00 C ATOM 0 H VAL 2 4 -15.323 2.410 -2.628 1.00 0.00 H new ATOM 0 HA VAL 2 4 -15.071 3.100 -5.508 1.00 0.00 H new ATOM 0 HB VAL 2 4 -16.621 5.068 -4.626 1.00 0.00 H new ATOM 0 HG11 VAL 2 4 -18.493 3.937 -5.768 1.00 0.00 H new ATOM 0 HG12 VAL 2 4 -16.965 3.768 -6.665 1.00 0.00 H new ATOM 0 HG13 VAL 2 4 -17.593 2.403 -5.711 1.00 0.00 H new ATOM 0 HG21 VAL 2 4 -18.491 4.141 -3.305 1.00 0.00 H new ATOM 0 HG22 VAL 2 4 -17.589 2.619 -3.110 1.00 0.00 H new ATOM 0 HG23 VAL 2 4 -16.960 4.124 -2.397 1.00 0.00 H new ATOM 947 N GLY 2 5 -14.313 4.650 -2.706 1.00 0.00 N ATOM 948 CA GLY 2 5 -13.363 5.573 -2.106 1.00 0.00 C ATOM 949 C GLY 2 5 -11.969 4.951 -2.029 1.00 0.00 C ATOM 950 O GLY 2 5 -11.037 5.567 -1.514 1.00 0.00 O ATOM 0 H GLY 2 5 -14.997 4.259 -2.057 1.00 0.00 H new ATOM 0 HA2 GLY 2 5 -13.323 6.491 -2.692 1.00 0.00 H new ATOM 0 HA3 GLY 2 5 -13.699 5.847 -1.106 1.00 0.00 H new ATOM 954 N LEU 2 6 -11.868 3.735 -2.547 1.00 0.00 N ATOM 955 CA LEU 2 6 -10.601 3.022 -2.543 1.00 0.00 C ATOM 956 C LEU 2 6 -10.423 2.301 -3.881 1.00 0.00 C ATOM 957 O LEU 2 6 -9.611 1.384 -3.992 1.00 0.00 O ATOM 958 CB LEU 2 6 -10.512 2.096 -1.329 1.00 0.00 C ATOM 959 CG LEU 2 6 -11.726 1.201 -1.077 1.00 0.00 C ATOM 960 CD1 LEU 2 6 -12.170 0.504 -2.365 1.00 0.00 C ATOM 961 CD2 LEU 2 6 -11.447 0.202 0.047 1.00 0.00 C ATOM 0 H LEU 2 6 -12.643 3.226 -2.972 1.00 0.00 H new ATOM 0 HA LEU 2 6 -9.770 3.721 -2.444 1.00 0.00 H new ATOM 0 HB2 LEU 2 6 -9.635 1.460 -1.446 1.00 0.00 H new ATOM 0 HB3 LEU 2 6 -10.346 2.708 -0.442 1.00 0.00 H new ATOM 0 HG LEU 2 6 -12.553 1.832 -0.750 1.00 0.00 H new ATOM 0 HD11 LEU 2 6 -13.035 -0.126 -2.158 1.00 0.00 H new ATOM 0 HD12 LEU 2 6 -12.437 1.253 -3.111 1.00 0.00 H new ATOM 0 HD13 LEU 2 6 -11.355 -0.112 -2.745 1.00 0.00 H new ATOM 0 HD21 LEU 2 6 -12.326 -0.422 0.206 1.00 0.00 H new ATOM 0 HD22 LEU 2 6 -10.600 -0.427 -0.227 1.00 0.00 H new ATOM 0 HD23 LEU 2 6 -11.215 0.742 0.965 1.00 0.00 H new ATOM 973 N SER 2 7 -11.195 2.744 -4.863 1.00 0.00 N ATOM 974 CA SER 2 7 -11.132 2.152 -6.188 1.00 0.00 C ATOM 975 C SER 2 7 -10.395 3.091 -7.147 1.00 0.00 C ATOM 976 O SER 2 7 -10.096 4.231 -6.795 1.00 0.00 O ATOM 977 CB SER 2 7 -12.533 1.843 -6.720 1.00 0.00 C ATOM 978 OG SER 2 7 -13.086 2.943 -7.438 1.00 0.00 O ATOM 0 H SER 2 7 -11.867 3.505 -4.767 1.00 0.00 H new ATOM 0 HA SER 2 7 -10.584 1.212 -6.117 1.00 0.00 H new ATOM 0 HB2 SER 2 7 -12.489 0.970 -7.371 1.00 0.00 H new ATOM 0 HB3 SER 2 7 -13.189 1.587 -5.888 1.00 0.00 H new ATOM 0 HG SER 2 7 -13.256 3.685 -6.820 1.00 0.00 H new ATOM 984 N ALA 2 8 -10.126 2.576 -8.337 1.00 0.00 N ATOM 985 CA ALA 2 8 -9.430 3.355 -9.348 1.00 0.00 C ATOM 986 C ALA 2 8 -10.246 4.607 -9.672 1.00 0.00 C ATOM 987 O ALA 2 8 -11.040 4.610 -10.611 1.00 0.00 O ATOM 988 CB ALA 2 8 -9.183 2.485 -10.582 1.00 0.00 C ATOM 0 H ALA 2 8 -10.377 1.630 -8.624 1.00 0.00 H new ATOM 0 HA ALA 2 8 -8.458 3.682 -8.979 1.00 0.00 H new ATOM 0 HB1 ALA 2 8 -8.661 3.069 -11.340 1.00 0.00 H new ATOM 0 HB2 ALA 2 8 -8.575 1.624 -10.304 1.00 0.00 H new ATOM 0 HB3 ALA 2 8 -10.137 2.141 -10.982 1.00 0.00 H new ATOM 994 N ASN 2 9 -10.023 5.643 -8.876 1.00 0.00 N ATOM 995 CA ASN 2 9 -10.727 6.899 -9.066 1.00 0.00 C ATOM 996 C ASN 2 9 -10.468 7.811 -7.866 1.00 0.00 C ATOM 997 O ASN 2 9 -10.435 9.033 -8.005 1.00 0.00 O ATOM 998 CB ASN 2 9 -12.237 6.673 -9.171 1.00 0.00 C ATOM 999 CG ASN 2 9 -12.822 7.425 -10.368 1.00 0.00 C ATOM 1000 OD1 ASN 2 9 -13.397 6.847 -11.275 1.00 0.00 O ATOM 1001 ND2 ASN 2 9 -12.644 8.742 -10.319 1.00 0.00 N ATOM 0 H ASN 2 9 -9.364 5.637 -8.098 1.00 0.00 H new ATOM 0 HA ASN 2 9 -10.365 7.352 -9.989 1.00 0.00 H new ATOM 0 HB2 ASN 2 9 -12.443 5.607 -9.271 1.00 0.00 H new ATOM 0 HB3 ASN 2 9 -12.723 7.007 -8.254 1.00 0.00 H new ATOM 0 HD21 ASN 2 9 -12.999 9.333 -11.071 1.00 0.00 H new ATOM 0 HD22 ASN 2 9 -12.153 9.161 -9.529 1.00 0.00 H new ATOM 1008 N GLN 2 10 -10.288 7.183 -6.713 1.00 0.00 N ATOM 1009 CA GLN 2 10 -10.033 7.924 -5.489 1.00 0.00 C ATOM 1010 C GLN 2 10 -8.731 8.718 -5.612 1.00 0.00 C ATOM 1011 O GLN 2 10 -8.601 9.795 -5.031 1.00 0.00 O ATOM 1012 CB GLN 2 10 -9.991 6.986 -4.280 1.00 0.00 C ATOM 1013 CG GLN 2 10 -10.268 7.751 -2.984 1.00 0.00 C ATOM 1014 CD GLN 2 10 -9.154 7.516 -1.960 1.00 0.00 C ATOM 1015 OE1 GLN 2 10 -8.719 6.260 -1.914 1.00 0.00 O flip ATOM 1016 NE2 GLN 2 10 -8.721 8.415 -1.260 1.00 0.00 N flip ATOM 0 H GLN 2 10 -10.314 6.170 -6.601 1.00 0.00 H new ATOM 0 HA GLN 2 10 -10.852 8.627 -5.334 1.00 0.00 H new ATOM 0 HB2 GLN 2 10 -10.729 6.194 -4.404 1.00 0.00 H new ATOM 0 HB3 GLN 2 10 -9.014 6.505 -4.221 1.00 0.00 H new ATOM 0 HG2 GLN 2 10 -10.352 8.817 -3.197 1.00 0.00 H new ATOM 0 HG3 GLN 2 10 -11.223 7.433 -2.567 1.00 0.00 H new ATOM 0 HE21 GLN 2 10 -9.101 9.358 -1.347 1.00 0.00 H new ATOM 0 HE22 GLN 2 10 -7.979 8.225 -0.587 1.00 0.00 H new ATOM 1025 N CYS 2 11 -7.802 8.157 -6.371 1.00 0.00 N ATOM 1026 CA CYS 2 11 -6.515 8.800 -6.578 1.00 0.00 C ATOM 1027 C CYS 2 11 -6.736 10.054 -7.427 1.00 0.00 C ATOM 1028 O CYS 2 11 -5.804 10.823 -7.657 1.00 0.00 O ATOM 1029 CB CYS 2 11 -5.503 7.848 -7.218 1.00 0.00 C ATOM 1030 SG CYS 2 11 -3.842 8.564 -7.490 1.00 0.00 S ATOM 0 H CYS 2 11 -7.914 7.264 -6.851 1.00 0.00 H new ATOM 0 HA CYS 2 11 -6.088 9.084 -5.616 1.00 0.00 H new ATOM 0 HB2 CYS 2 11 -5.404 6.966 -6.585 1.00 0.00 H new ATOM 0 HB3 CYS 2 11 -5.899 7.510 -8.176 1.00 0.00 H new ATOM 1035 N ALA 2 12 -7.974 10.221 -7.868 1.00 0.00 N ATOM 1036 CA ALA 2 12 -8.328 11.368 -8.686 1.00 0.00 C ATOM 1037 C ALA 2 12 -9.173 12.338 -7.857 1.00 0.00 C ATOM 1038 O ALA 2 12 -9.765 13.270 -8.399 1.00 0.00 O ATOM 1039 CB ALA 2 12 -9.054 10.892 -9.946 1.00 0.00 C ATOM 0 H ALA 2 12 -8.744 9.581 -7.674 1.00 0.00 H new ATOM 0 HA ALA 2 12 -7.433 11.901 -9.007 1.00 0.00 H new ATOM 0 HB1 ALA 2 12 -9.320 11.753 -10.560 1.00 0.00 H new ATOM 0 HB2 ALA 2 12 -8.401 10.229 -10.514 1.00 0.00 H new ATOM 0 HB3 ALA 2 12 -9.959 10.355 -9.663 1.00 0.00 H new ATOM 1045 N VAL 2 13 -9.203 12.085 -6.557 1.00 0.00 N ATOM 1046 CA VAL 2 13 -9.966 12.925 -5.650 1.00 0.00 C ATOM 1047 C VAL 2 13 -9.789 14.391 -6.047 1.00 0.00 C ATOM 1048 O VAL 2 13 -8.886 14.726 -6.812 1.00 0.00 O ATOM 1049 CB VAL 2 13 -9.551 12.643 -4.204 1.00 0.00 C ATOM 1050 CG1 VAL 2 13 -8.745 13.809 -3.628 1.00 0.00 C ATOM 1051 CG2 VAL 2 13 -10.771 12.337 -3.332 1.00 0.00 C ATOM 0 H VAL 2 13 -8.712 11.311 -6.110 1.00 0.00 H new ATOM 0 HA VAL 2 13 -11.029 12.696 -5.721 1.00 0.00 H new ATOM 0 HB VAL 2 13 -8.911 11.761 -4.206 1.00 0.00 H new ATOM 0 HG11 VAL 2 13 -8.463 13.583 -2.600 1.00 0.00 H new ATOM 0 HG12 VAL 2 13 -7.846 13.961 -4.226 1.00 0.00 H new ATOM 0 HG13 VAL 2 13 -9.351 14.715 -3.647 1.00 0.00 H new ATOM 0 HG21 VAL 2 13 -10.448 12.140 -2.310 1.00 0.00 H new ATOM 0 HG22 VAL 2 13 -11.448 13.191 -3.340 1.00 0.00 H new ATOM 0 HG23 VAL 2 13 -11.288 11.461 -3.724 1.00 0.00 H new ATOM 1061 N PRO 2 14 -10.690 15.248 -5.497 1.00 0.00 N ATOM 1062 CA PRO 2 14 -10.643 16.672 -5.786 1.00 0.00 C ATOM 1063 C PRO 2 14 -9.492 17.346 -5.038 1.00 0.00 C ATOM 1064 O PRO 2 14 -9.570 18.528 -4.708 1.00 0.00 O ATOM 1065 CB PRO 2 14 -12.009 17.202 -5.379 1.00 0.00 C ATOM 1066 CG PRO 2 14 -12.602 16.154 -4.450 1.00 0.00 C ATOM 1067 CD PRO 2 14 -11.774 14.888 -4.588 1.00 0.00 C ATOM 0 HA PRO 2 14 -10.447 16.881 -6.838 1.00 0.00 H new ATOM 0 HB2 PRO 2 14 -11.920 18.165 -4.876 1.00 0.00 H new ATOM 0 HB3 PRO 2 14 -12.644 17.355 -6.251 1.00 0.00 H new ATOM 0 HG2 PRO 2 14 -12.590 16.507 -3.419 1.00 0.00 H new ATOM 0 HG3 PRO 2 14 -13.643 15.960 -4.709 1.00 0.00 H new ATOM 0 HD2 PRO 2 14 -11.388 14.561 -3.623 1.00 0.00 H new ATOM 0 HD3 PRO 2 14 -12.370 14.068 -4.988 1.00 0.00 H new ATOM 1075 N ALA 2 15 -8.452 16.563 -4.789 1.00 0.00 N ATOM 1076 CA ALA 2 15 -7.287 17.070 -4.084 1.00 0.00 C ATOM 1077 C ALA 2 15 -7.736 17.777 -2.804 1.00 0.00 C ATOM 1078 O ALA 2 15 -7.721 19.004 -2.729 1.00 0.00 O ATOM 1079 CB ALA 2 15 -6.492 17.993 -5.010 1.00 0.00 C ATOM 0 H ALA 2 15 -8.392 15.582 -5.063 1.00 0.00 H new ATOM 0 HA ALA 2 15 -6.629 16.251 -3.794 1.00 0.00 H new ATOM 0 HB1 ALA 2 15 -5.618 18.374 -4.481 1.00 0.00 H new ATOM 0 HB2 ALA 2 15 -6.170 17.436 -5.890 1.00 0.00 H new ATOM 0 HB3 ALA 2 15 -7.121 18.828 -5.319 1.00 0.00 H new ATOM 1085 N LYS 2 16 -8.128 16.971 -1.827 1.00 0.00 N ATOM 1086 CA LYS 2 16 -8.582 17.503 -0.554 1.00 0.00 C ATOM 1087 C LYS 2 16 -9.349 16.417 0.203 1.00 0.00 C ATOM 1088 O LYS 2 16 -10.426 16.671 0.738 1.00 0.00 O ATOM 1089 CB LYS 2 16 -9.384 18.788 -0.765 1.00 0.00 C ATOM 1090 CG LYS 2 16 -10.265 18.686 -2.013 1.00 0.00 C ATOM 1091 CD LYS 2 16 -11.730 18.964 -1.675 1.00 0.00 C ATOM 1092 CE LYS 2 16 -12.420 17.704 -1.148 1.00 0.00 C ATOM 1093 NZ LYS 2 16 -12.856 17.897 0.252 1.00 0.00 N ATOM 0 H LYS 2 16 -8.140 15.953 -1.892 1.00 0.00 H new ATOM 0 HA LYS 2 16 -7.731 17.785 0.066 1.00 0.00 H new ATOM 0 HB2 LYS 2 16 -10.006 18.980 0.109 1.00 0.00 H new ATOM 0 HB3 LYS 2 16 -8.703 19.634 -0.864 1.00 0.00 H new ATOM 0 HG2 LYS 2 16 -9.921 19.396 -2.764 1.00 0.00 H new ATOM 0 HG3 LYS 2 16 -10.171 17.691 -2.448 1.00 0.00 H new ATOM 0 HD2 LYS 2 16 -11.791 19.756 -0.928 1.00 0.00 H new ATOM 0 HD3 LYS 2 16 -12.250 19.323 -2.563 1.00 0.00 H new ATOM 0 HE2 LYS 2 16 -13.281 17.465 -1.773 1.00 0.00 H new ATOM 0 HE3 LYS 2 16 -11.737 16.856 -1.209 1.00 0.00 H new ATOM 0 HZ1 LYS 2 16 -13.724 17.351 0.424 1.00 0.00 H new ATOM 0 HZ2 LYS 2 16 -12.108 17.570 0.897 1.00 0.00 H new ATOM 0 HZ3 LYS 2 16 -13.043 18.906 0.422 1.00 0.00 H new ATOM 1107 N ASP 2 17 -8.763 15.229 0.225 1.00 0.00 N ATOM 1108 CA ASP 2 17 -9.378 14.103 0.909 1.00 0.00 C ATOM 1109 C ASP 2 17 -8.300 13.071 1.252 1.00 0.00 C ATOM 1110 O ASP 2 17 -8.417 12.354 2.245 1.00 0.00 O ATOM 1111 CB ASP 2 17 -10.419 13.421 0.019 1.00 0.00 C ATOM 1112 CG ASP 2 17 -11.364 12.465 0.748 1.00 0.00 C ATOM 1113 OD1 ASP 2 17 -10.907 11.346 1.066 1.00 0.00 O ATOM 1114 OD2 ASP 2 17 -12.525 12.874 0.971 1.00 0.00 O ATOM 0 H ASP 2 17 -7.869 15.021 -0.220 1.00 0.00 H new ATOM 0 HA ASP 2 17 -9.864 14.478 1.810 1.00 0.00 H new ATOM 0 HB2 ASP 2 17 -11.013 14.190 -0.474 1.00 0.00 H new ATOM 0 HB3 ASP 2 17 -9.900 12.868 -0.764 1.00 0.00 H new ATOM 1119 N ARG 2 18 -7.277 13.029 0.412 1.00 0.00 N ATOM 1120 CA ARG 2 18 -6.181 12.096 0.614 1.00 0.00 C ATOM 1121 C ARG 2 18 -5.757 12.087 2.084 1.00 0.00 C ATOM 1122 O ARG 2 18 -6.237 12.894 2.878 1.00 0.00 O ATOM 1123 CB ARG 2 18 -4.976 12.466 -0.254 1.00 0.00 C ATOM 1124 CG ARG 2 18 -5.355 12.488 -1.736 1.00 0.00 C ATOM 1125 CD ARG 2 18 -4.644 13.628 -2.467 1.00 0.00 C ATOM 1126 NE ARG 2 18 -5.163 13.747 -3.848 1.00 0.00 N ATOM 1127 CZ ARG 2 18 -4.437 14.175 -4.889 1.00 0.00 C ATOM 1128 NH1 ARG 2 18 -3.156 14.529 -4.713 1.00 0.00 N ATOM 1129 NH2 ARG 2 18 -4.991 14.250 -6.107 1.00 0.00 N ATOM 0 H ARG 2 18 -7.183 13.626 -0.410 1.00 0.00 H new ATOM 0 HA ARG 2 18 -6.532 11.105 0.326 1.00 0.00 H new ATOM 0 HB2 ARG 2 18 -4.596 13.444 0.043 1.00 0.00 H new ATOM 0 HB3 ARG 2 18 -4.172 11.749 -0.091 1.00 0.00 H new ATOM 0 HG2 ARG 2 18 -5.092 11.536 -2.197 1.00 0.00 H new ATOM 0 HG3 ARG 2 18 -6.434 12.603 -1.837 1.00 0.00 H new ATOM 0 HD2 ARG 2 18 -4.796 14.565 -1.931 1.00 0.00 H new ATOM 0 HD3 ARG 2 18 -3.570 13.443 -2.488 1.00 0.00 H new ATOM 0 HE ARG 2 18 -6.135 13.487 -4.018 1.00 0.00 H new ATOM 0 HH11 ARG 2 18 -2.734 14.472 -3.786 1.00 0.00 H new ATOM 0 HH12 ARG 2 18 -2.603 14.855 -5.506 1.00 0.00 H new ATOM 0 HH21 ARG 2 18 -5.966 13.981 -6.241 1.00 0.00 H new ATOM 0 HH22 ARG 2 18 -4.438 14.576 -6.900 1.00 0.00 H new ATOM 1143 N VAL 2 19 -4.862 11.163 2.403 1.00 0.00 N ATOM 1144 CA VAL 2 19 -4.369 11.038 3.764 1.00 0.00 C ATOM 1145 C VAL 2 19 -2.907 11.485 3.814 1.00 0.00 C ATOM 1146 O VAL 2 19 -2.166 11.097 4.717 1.00 0.00 O ATOM 1147 CB VAL 2 19 -4.574 9.606 4.265 1.00 0.00 C ATOM 1148 CG1 VAL 2 19 -4.401 9.527 5.783 1.00 0.00 C ATOM 1149 CG2 VAL 2 19 -5.941 9.067 3.840 1.00 0.00 C ATOM 0 H VAL 2 19 -4.466 10.494 1.742 1.00 0.00 H new ATOM 0 HA VAL 2 19 -4.931 11.687 4.436 1.00 0.00 H new ATOM 0 HB VAL 2 19 -3.810 8.978 3.807 1.00 0.00 H new ATOM 0 HG11 VAL 2 19 -4.552 8.499 6.113 1.00 0.00 H new ATOM 0 HG12 VAL 2 19 -3.396 9.851 6.052 1.00 0.00 H new ATOM 0 HG13 VAL 2 19 -5.132 10.175 6.267 1.00 0.00 H new ATOM 0 HG21 VAL 2 19 -6.061 8.048 4.209 1.00 0.00 H new ATOM 0 HG22 VAL 2 19 -6.726 9.698 4.256 1.00 0.00 H new ATOM 0 HG23 VAL 2 19 -6.011 9.070 2.752 1.00 0.00 H new ATOM 1159 N ASP 2 20 -2.534 12.294 2.834 1.00 0.00 N ATOM 1160 CA ASP 2 20 -1.174 12.798 2.756 1.00 0.00 C ATOM 1161 C ASP 2 20 -0.212 11.750 3.321 1.00 0.00 C ATOM 1162 O ASP 2 20 0.077 11.750 4.516 1.00 0.00 O ATOM 1163 CB ASP 2 20 -1.013 14.079 3.577 1.00 0.00 C ATOM 1164 CG ASP 2 20 0.388 14.310 4.147 1.00 0.00 C ATOM 1165 OD1 ASP 2 20 1.355 13.958 3.436 1.00 0.00 O ATOM 1166 OD2 ASP 2 20 0.462 14.833 5.280 1.00 0.00 O ATOM 0 H ASP 2 20 -3.150 12.613 2.087 1.00 0.00 H new ATOM 0 HA ASP 2 20 -0.953 13.010 1.710 1.00 0.00 H new ATOM 0 HB2 ASP 2 20 -1.279 14.930 2.950 1.00 0.00 H new ATOM 0 HB3 ASP 2 20 -1.725 14.056 4.402 1.00 0.00 H new ATOM 1171 N CYS 2 21 0.254 10.883 2.435 1.00 0.00 N ATOM 1172 CA CYS 2 21 1.176 9.832 2.831 1.00 0.00 C ATOM 1173 C CYS 2 21 2.330 10.471 3.607 1.00 0.00 C ATOM 1174 O CYS 2 21 2.893 9.855 4.510 1.00 0.00 O ATOM 1175 CB CYS 2 21 1.673 9.032 1.626 1.00 0.00 C ATOM 1176 SG CYS 2 21 2.099 7.289 1.983 1.00 0.00 S ATOM 0 H CYS 2 21 0.011 10.886 1.444 1.00 0.00 H new ATOM 0 HA CYS 2 21 0.661 9.116 3.472 1.00 0.00 H new ATOM 0 HB2 CYS 2 21 0.905 9.052 0.853 1.00 0.00 H new ATOM 0 HB3 CYS 2 21 2.552 9.529 1.215 1.00 0.00 H new ATOM 1181 N GLY 2 22 2.647 11.700 3.226 1.00 0.00 N ATOM 1182 CA GLY 2 22 3.723 12.430 3.875 1.00 0.00 C ATOM 1183 C GLY 2 22 5.033 11.643 3.816 1.00 0.00 C ATOM 1184 O GLY 2 22 5.690 11.447 4.836 1.00 0.00 O ATOM 0 H GLY 2 22 2.178 12.208 2.476 1.00 0.00 H new ATOM 0 HA2 GLY 2 22 3.854 13.398 3.391 1.00 0.00 H new ATOM 0 HA3 GLY 2 22 3.459 12.626 4.914 1.00 0.00 H new ATOM 1188 N TYR 2 23 5.374 11.213 2.609 1.00 0.00 N ATOM 1189 CA TYR 2 23 6.593 10.451 2.403 1.00 0.00 C ATOM 1190 C TYR 2 23 7.785 11.380 2.156 1.00 0.00 C ATOM 1191 O TYR 2 23 7.692 12.319 1.367 1.00 0.00 O ATOM 1192 CB TYR 2 23 6.356 9.603 1.152 1.00 0.00 C ATOM 1193 CG TYR 2 23 6.853 8.161 1.275 1.00 0.00 C ATOM 1194 CD1 TYR 2 23 6.683 7.470 2.456 1.00 0.00 C ATOM 1195 CD2 TYR 2 23 7.471 7.552 0.201 1.00 0.00 C ATOM 1196 CE1 TYR 2 23 7.151 6.113 2.571 1.00 0.00 C ATOM 1197 CE2 TYR 2 23 7.938 6.195 0.315 1.00 0.00 C ATOM 1198 CZ TYR 2 23 7.755 5.543 1.495 1.00 0.00 C ATOM 1199 OH TYR 2 23 8.197 4.260 1.603 1.00 0.00 O ATOM 0 H TYR 2 23 4.827 11.378 1.764 1.00 0.00 H new ATOM 0 HA TYR 2 23 6.819 9.846 3.281 1.00 0.00 H new ATOM 0 HB2 TYR 2 23 5.289 9.591 0.930 1.00 0.00 H new ATOM 0 HB3 TYR 2 23 6.852 10.077 0.305 1.00 0.00 H new ATOM 0 HD1 TYR 2 23 6.199 7.947 3.295 1.00 0.00 H new ATOM 0 HD2 TYR 2 23 7.604 8.093 -0.724 1.00 0.00 H new ATOM 0 HE1 TYR 2 23 7.025 5.561 3.491 1.00 0.00 H new ATOM 0 HE2 TYR 2 23 8.422 5.706 -0.517 1.00 0.00 H new ATOM 0 HH TYR 2 23 8.808 4.061 0.863 1.00 0.00 H new ATOM 1209 N PRO 2 24 8.906 11.077 2.864 1.00 0.00 N ATOM 1210 CA PRO 2 24 10.114 11.874 2.730 1.00 0.00 C ATOM 1211 C PRO 2 24 10.825 11.573 1.409 1.00 0.00 C ATOM 1212 O PRO 2 24 11.862 12.161 1.109 1.00 0.00 O ATOM 1213 CB PRO 2 24 10.952 11.526 3.949 1.00 0.00 C ATOM 1214 CG PRO 2 24 10.398 10.211 4.475 1.00 0.00 C ATOM 1215 CD PRO 2 24 9.053 9.973 3.808 1.00 0.00 C ATOM 0 HA PRO 2 24 9.911 12.944 2.696 1.00 0.00 H new ATOM 0 HB2 PRO 2 24 12.005 11.428 3.684 1.00 0.00 H new ATOM 0 HB3 PRO 2 24 10.885 12.308 4.705 1.00 0.00 H new ATOM 0 HG2 PRO 2 24 11.083 9.393 4.255 1.00 0.00 H new ATOM 0 HG3 PRO 2 24 10.285 10.250 5.558 1.00 0.00 H new ATOM 0 HD2 PRO 2 24 9.029 9.010 3.298 1.00 0.00 H new ATOM 0 HD3 PRO 2 24 8.244 9.967 4.539 1.00 0.00 H new ATOM 1223 N HIS 2 25 10.238 10.656 0.653 1.00 0.00 N ATOM 1224 CA HIS 2 25 10.803 10.269 -0.628 1.00 0.00 C ATOM 1225 C HIS 2 25 9.741 10.410 -1.721 1.00 0.00 C ATOM 1226 O HIS 2 25 9.837 9.777 -2.770 1.00 0.00 O ATOM 1227 CB HIS 2 25 11.397 8.861 -0.558 1.00 0.00 C ATOM 1228 CG HIS 2 25 12.813 8.766 -1.074 1.00 0.00 C ATOM 1229 ND1 HIS 2 25 13.224 9.366 -2.251 1.00 0.00 N ATOM 1230 CD2 HIS 2 25 13.908 8.136 -0.560 1.00 0.00 C ATOM 1231 CE1 HIS 2 25 14.511 9.102 -2.429 1.00 0.00 C ATOM 1232 NE2 HIS 2 25 14.933 8.339 -1.380 1.00 0.00 N ATOM 0 H HIS 2 25 9.377 10.170 0.904 1.00 0.00 H new ATOM 0 HA HIS 2 25 11.627 10.936 -0.881 1.00 0.00 H new ATOM 0 HB2 HIS 2 25 11.374 8.519 0.477 1.00 0.00 H new ATOM 0 HB3 HIS 2 25 10.766 8.182 -1.132 1.00 0.00 H new ATOM 0 HD2 HIS 2 25 13.937 7.568 0.358 1.00 0.00 H new ATOM 0 HE1 HIS 2 25 15.118 9.433 -3.259 1.00 0.00 H new ATOM 0 HE2 HIS 2 25 15.880 7.983 -1.247 1.00 0.00 H new ATOM 1241 N VAL 2 26 8.752 11.245 -1.435 1.00 0.00 N ATOM 1242 CA VAL 2 26 7.673 11.478 -2.380 1.00 0.00 C ATOM 1243 C VAL 2 26 8.259 11.676 -3.779 1.00 0.00 C ATOM 1244 O VAL 2 26 9.110 12.541 -3.982 1.00 0.00 O ATOM 1245 CB VAL 2 26 6.816 12.658 -1.917 1.00 0.00 C ATOM 1246 CG1 VAL 2 26 7.693 13.810 -1.421 1.00 0.00 C ATOM 1247 CG2 VAL 2 26 5.877 13.124 -3.031 1.00 0.00 C ATOM 0 H VAL 2 26 8.676 11.768 -0.563 1.00 0.00 H new ATOM 0 HA VAL 2 26 7.012 10.613 -2.425 1.00 0.00 H new ATOM 0 HB VAL 2 26 6.202 12.320 -1.082 1.00 0.00 H new ATOM 0 HG11 VAL 2 26 7.060 14.636 -1.098 1.00 0.00 H new ATOM 0 HG12 VAL 2 26 8.301 13.470 -0.583 1.00 0.00 H new ATOM 0 HG13 VAL 2 26 8.343 14.146 -2.229 1.00 0.00 H new ATOM 0 HG21 VAL 2 26 5.279 13.963 -2.676 1.00 0.00 H new ATOM 0 HG22 VAL 2 26 6.464 13.436 -3.895 1.00 0.00 H new ATOM 0 HG23 VAL 2 26 5.218 12.305 -3.318 1.00 0.00 H new ATOM 1257 N THR 2 27 7.781 10.863 -4.708 1.00 0.00 N ATOM 1258 CA THR 2 27 8.247 10.938 -6.082 1.00 0.00 C ATOM 1259 C THR 2 27 7.328 10.133 -7.003 1.00 0.00 C ATOM 1260 O THR 2 27 6.698 9.170 -6.569 1.00 0.00 O ATOM 1261 CB THR 2 27 9.702 10.469 -6.115 1.00 0.00 C ATOM 1262 OG1 THR 2 27 10.439 11.641 -6.450 1.00 0.00 O ATOM 1263 CG2 THR 2 27 9.982 9.508 -7.272 1.00 0.00 C ATOM 0 H THR 2 27 7.074 10.148 -4.536 1.00 0.00 H new ATOM 0 HA THR 2 27 8.212 11.962 -6.455 1.00 0.00 H new ATOM 0 HB THR 2 27 9.946 9.981 -5.171 1.00 0.00 H new ATOM 0 HG1 THR 2 27 10.283 12.331 -5.772 1.00 0.00 H new ATOM 0 HG21 THR 2 27 11.029 9.206 -7.249 1.00 0.00 H new ATOM 0 HG22 THR 2 27 9.348 8.627 -7.175 1.00 0.00 H new ATOM 0 HG23 THR 2 27 9.769 10.006 -8.218 1.00 0.00 H new ATOM 1271 N PRO 2 28 7.279 10.569 -8.290 1.00 0.00 N ATOM 1272 CA PRO 2 28 6.448 9.899 -9.276 1.00 0.00 C ATOM 1273 C PRO 2 28 7.075 8.573 -9.712 1.00 0.00 C ATOM 1274 O PRO 2 28 7.183 8.297 -10.906 1.00 0.00 O ATOM 1275 CB PRO 2 28 6.309 10.894 -10.416 1.00 0.00 C ATOM 1276 CG PRO 2 28 7.441 11.893 -10.236 1.00 0.00 C ATOM 1277 CD PRO 2 28 8.011 11.706 -8.839 1.00 0.00 C ATOM 0 HA PRO 2 28 5.469 9.625 -8.884 1.00 0.00 H new ATOM 0 HB2 PRO 2 28 6.379 10.394 -11.382 1.00 0.00 H new ATOM 0 HB3 PRO 2 28 5.340 11.392 -10.384 1.00 0.00 H new ATOM 0 HG2 PRO 2 28 8.214 11.734 -10.988 1.00 0.00 H new ATOM 0 HG3 PRO 2 28 7.075 12.912 -10.366 1.00 0.00 H new ATOM 0 HD2 PRO 2 28 9.083 11.509 -8.872 1.00 0.00 H new ATOM 0 HD3 PRO 2 28 7.870 12.599 -8.231 1.00 0.00 H new ATOM 1285 N LYS 2 29 7.470 7.788 -8.721 1.00 0.00 N ATOM 1286 CA LYS 2 29 8.084 6.498 -8.988 1.00 0.00 C ATOM 1287 C LYS 2 29 8.390 5.800 -7.661 1.00 0.00 C ATOM 1288 O LYS 2 29 8.561 4.582 -7.621 1.00 0.00 O ATOM 1289 CB LYS 2 29 9.307 6.663 -9.892 1.00 0.00 C ATOM 1290 CG LYS 2 29 9.902 5.303 -10.263 1.00 0.00 C ATOM 1291 CD LYS 2 29 10.159 5.208 -11.767 1.00 0.00 C ATOM 1292 CE LYS 2 29 9.038 4.438 -12.468 1.00 0.00 C ATOM 1293 NZ LYS 2 29 8.309 5.321 -13.405 1.00 0.00 N ATOM 0 H LYS 2 29 7.377 8.020 -7.732 1.00 0.00 H new ATOM 0 HA LYS 2 29 7.396 5.855 -9.537 1.00 0.00 H new ATOM 0 HB2 LYS 2 29 9.024 7.200 -10.798 1.00 0.00 H new ATOM 0 HB3 LYS 2 29 10.059 7.267 -9.385 1.00 0.00 H new ATOM 0 HG2 LYS 2 29 10.835 5.151 -9.721 1.00 0.00 H new ATOM 0 HG3 LYS 2 29 9.222 4.509 -9.956 1.00 0.00 H new ATOM 0 HD2 LYS 2 29 10.237 6.210 -12.190 1.00 0.00 H new ATOM 0 HD3 LYS 2 29 11.113 4.712 -11.946 1.00 0.00 H new ATOM 0 HE2 LYS 2 29 9.456 3.589 -13.010 1.00 0.00 H new ATOM 0 HE3 LYS 2 29 8.347 4.035 -11.727 1.00 0.00 H new ATOM 0 HZ1 LYS 2 29 7.552 4.782 -13.872 1.00 0.00 H new ATOM 0 HZ2 LYS 2 29 7.894 6.117 -12.880 1.00 0.00 H new ATOM 0 HZ3 LYS 2 29 8.968 5.685 -14.123 1.00 0.00 H new ATOM 1307 N GLU 2 30 8.450 6.601 -6.608 1.00 0.00 N ATOM 1308 CA GLU 2 30 8.733 6.076 -5.282 1.00 0.00 C ATOM 1309 C GLU 2 30 7.431 5.857 -4.510 1.00 0.00 C ATOM 1310 O GLU 2 30 7.257 4.830 -3.855 1.00 0.00 O ATOM 1311 CB GLU 2 30 9.677 7.002 -4.515 1.00 0.00 C ATOM 1312 CG GLU 2 30 11.078 6.394 -4.413 1.00 0.00 C ATOM 1313 CD GLU 2 30 11.892 6.679 -5.676 1.00 0.00 C ATOM 1314 OE1 GLU 2 30 11.326 6.482 -6.774 1.00 0.00 O ATOM 1315 OE2 GLU 2 30 13.064 7.088 -5.518 1.00 0.00 O ATOM 0 H GLU 2 30 8.308 7.610 -6.645 1.00 0.00 H new ATOM 0 HA GLU 2 30 9.233 5.114 -5.392 1.00 0.00 H new ATOM 0 HB2 GLU 2 30 9.732 7.968 -5.017 1.00 0.00 H new ATOM 0 HB3 GLU 2 30 9.282 7.184 -3.516 1.00 0.00 H new ATOM 0 HG2 GLU 2 30 11.593 6.803 -3.544 1.00 0.00 H new ATOM 0 HG3 GLU 2 30 11.001 5.317 -4.261 1.00 0.00 H new ATOM 1322 N CYS 2 31 6.549 6.841 -4.609 1.00 0.00 N ATOM 1323 CA CYS 2 31 5.268 6.769 -3.928 1.00 0.00 C ATOM 1324 C CYS 2 31 4.506 5.554 -4.462 1.00 0.00 C ATOM 1325 O CYS 2 31 4.133 4.665 -3.698 1.00 0.00 O ATOM 1326 CB CYS 2 31 4.466 8.063 -4.091 1.00 0.00 C ATOM 1327 SG CYS 2 31 5.087 9.479 -3.113 1.00 0.00 S ATOM 0 H CYS 2 31 6.697 7.692 -5.151 1.00 0.00 H new ATOM 0 HA CYS 2 31 5.430 6.652 -2.856 1.00 0.00 H new ATOM 0 HB2 CYS 2 31 4.462 8.341 -5.145 1.00 0.00 H new ATOM 0 HB3 CYS 2 31 3.431 7.870 -3.808 1.00 0.00 H new ATOM 1332 N ASN 2 32 4.296 5.557 -5.770 1.00 0.00 N ATOM 1333 CA ASN 2 32 3.585 4.466 -6.415 1.00 0.00 C ATOM 1334 C ASN 2 32 4.390 3.174 -6.257 1.00 0.00 C ATOM 1335 O ASN 2 32 3.932 2.101 -6.646 1.00 0.00 O ATOM 1336 CB ASN 2 32 3.409 4.732 -7.912 1.00 0.00 C ATOM 1337 CG ASN 2 32 2.057 5.389 -8.196 1.00 0.00 C ATOM 1338 OD1 ASN 2 32 1.858 6.526 -7.536 1.00 0.00 O flip ATOM 1339 ND2 ASN 2 32 1.247 4.895 -8.963 1.00 0.00 N flip ATOM 0 H ASN 2 32 4.605 6.297 -6.400 1.00 0.00 H new ATOM 0 HA ASN 2 32 2.605 4.379 -5.946 1.00 0.00 H new ATOM 0 HB2 ASN 2 32 4.213 5.377 -8.268 1.00 0.00 H new ATOM 0 HB3 ASN 2 32 3.485 3.795 -8.463 1.00 0.00 H new ATOM 0 HD21 ASN 2 32 1.463 4.019 -9.438 1.00 0.00 H new ATOM 0 HD22 ASN 2 32 0.354 5.358 -9.129 1.00 0.00 H new ATOM 1346 N ASN 2 33 5.577 3.320 -5.686 1.00 0.00 N ATOM 1347 CA ASN 2 33 6.450 2.179 -5.471 1.00 0.00 C ATOM 1348 C ASN 2 33 6.407 1.779 -3.995 1.00 0.00 C ATOM 1349 O ASN 2 33 6.630 0.618 -3.655 1.00 0.00 O ATOM 1350 CB ASN 2 33 7.898 2.518 -5.828 1.00 0.00 C ATOM 1351 CG ASN 2 33 8.850 1.412 -5.367 1.00 0.00 C ATOM 1352 OD1 ASN 2 33 8.716 0.253 -5.725 1.00 0.00 O ATOM 1353 ND2 ASN 2 33 9.816 1.833 -4.556 1.00 0.00 N ATOM 0 H ASN 2 33 5.954 4.212 -5.366 1.00 0.00 H new ATOM 0 HA ASN 2 33 6.103 1.365 -6.108 1.00 0.00 H new ATOM 0 HB2 ASN 2 33 7.988 2.654 -6.906 1.00 0.00 H new ATOM 0 HB3 ASN 2 33 8.180 3.462 -5.362 1.00 0.00 H new ATOM 0 HD21 ASN 2 33 10.503 1.171 -4.194 1.00 0.00 H new ATOM 0 HD22 ASN 2 33 9.870 2.818 -4.296 1.00 0.00 H new ATOM 1360 N ARG 2 34 6.121 2.765 -3.157 1.00 0.00 N ATOM 1361 CA ARG 2 34 6.046 2.531 -1.725 1.00 0.00 C ATOM 1362 C ARG 2 34 4.623 2.139 -1.324 1.00 0.00 C ATOM 1363 O ARG 2 34 4.423 1.454 -0.322 1.00 0.00 O ATOM 1364 CB ARG 2 34 6.464 3.777 -0.941 1.00 0.00 C ATOM 1365 CG ARG 2 34 5.242 4.600 -0.526 1.00 0.00 C ATOM 1366 CD ARG 2 34 4.749 4.186 0.862 1.00 0.00 C ATOM 1367 NE ARG 2 34 3.285 3.967 0.835 1.00 0.00 N ATOM 1368 CZ ARG 2 34 2.558 3.616 1.904 1.00 0.00 C ATOM 1369 NH1 ARG 2 34 3.154 3.444 3.092 1.00 0.00 N ATOM 1370 NH2 ARG 2 34 1.236 3.439 1.786 1.00 0.00 N ATOM 0 H ARG 2 34 5.939 3.727 -3.442 1.00 0.00 H new ATOM 0 HA ARG 2 34 6.731 1.718 -1.486 1.00 0.00 H new ATOM 0 HB2 ARG 2 34 7.026 3.482 -0.055 1.00 0.00 H new ATOM 0 HB3 ARG 2 34 7.129 4.389 -1.551 1.00 0.00 H new ATOM 0 HG2 ARG 2 34 5.496 5.660 -0.525 1.00 0.00 H new ATOM 0 HG3 ARG 2 34 4.443 4.465 -1.255 1.00 0.00 H new ATOM 0 HD2 ARG 2 34 5.255 3.275 1.180 1.00 0.00 H new ATOM 0 HD3 ARG 2 34 4.996 4.959 1.590 1.00 0.00 H new ATOM 0 HE ARG 2 34 2.799 4.091 -0.053 1.00 0.00 H new ATOM 0 HH11 ARG 2 34 4.161 3.580 3.182 1.00 0.00 H new ATOM 0 HH12 ARG 2 34 2.601 3.177 3.906 1.00 0.00 H new ATOM 0 HH21 ARG 2 34 0.782 3.571 0.882 1.00 0.00 H new ATOM 0 HH22 ARG 2 34 0.683 3.172 2.600 1.00 0.00 H new ATOM 1384 N GLY 2 35 3.670 2.588 -2.128 1.00 0.00 N ATOM 1385 CA GLY 2 35 2.272 2.293 -1.870 1.00 0.00 C ATOM 1386 C GLY 2 35 1.452 3.580 -1.751 1.00 0.00 C ATOM 1387 O GLY 2 35 0.372 3.580 -1.162 1.00 0.00 O ATOM 0 H GLY 2 35 3.840 3.154 -2.959 1.00 0.00 H new ATOM 0 HA2 GLY 2 35 1.872 1.676 -2.675 1.00 0.00 H new ATOM 0 HA3 GLY 2 35 2.183 1.714 -0.951 1.00 0.00 H new ATOM 1391 N CYS 2 36 1.997 4.646 -2.319 1.00 0.00 N ATOM 1392 CA CYS 2 36 1.330 5.936 -2.285 1.00 0.00 C ATOM 1393 C CYS 2 36 1.044 6.368 -3.724 1.00 0.00 C ATOM 1394 O CYS 2 36 1.554 5.768 -4.669 1.00 0.00 O ATOM 1395 CB CYS 2 36 2.155 6.979 -1.528 1.00 0.00 C ATOM 1396 SG CYS 2 36 2.456 6.588 0.234 1.00 0.00 S ATOM 0 H CYS 2 36 2.893 4.642 -2.806 1.00 0.00 H new ATOM 0 HA CYS 2 36 0.390 5.848 -1.741 1.00 0.00 H new ATOM 0 HB2 CYS 2 36 3.116 7.095 -2.029 1.00 0.00 H new ATOM 0 HB3 CYS 2 36 1.645 7.940 -1.590 1.00 0.00 H new ATOM 1401 N CYS 2 37 0.232 7.408 -3.847 1.00 0.00 N ATOM 1402 CA CYS 2 37 -0.126 7.927 -5.155 1.00 0.00 C ATOM 1403 C CYS 2 37 0.508 9.312 -5.312 1.00 0.00 C ATOM 1404 O CYS 2 37 0.432 10.139 -4.406 1.00 0.00 O ATOM 1405 CB CYS 2 37 -1.643 7.969 -5.350 1.00 0.00 C ATOM 1406 SG CYS 2 37 -2.191 7.998 -7.096 1.00 0.00 S ATOM 0 H CYS 2 37 -0.188 7.905 -3.061 1.00 0.00 H new ATOM 0 HA CYS 2 37 0.256 7.263 -5.930 1.00 0.00 H new ATOM 0 HB2 CYS 2 37 -2.082 7.100 -4.860 1.00 0.00 H new ATOM 0 HB3 CYS 2 37 -2.036 8.852 -4.846 1.00 0.00 H new ATOM 1411 N PHE 2 38 1.118 9.519 -6.469 1.00 0.00 N ATOM 1412 CA PHE 2 38 1.765 10.788 -6.758 1.00 0.00 C ATOM 1413 C PHE 2 38 0.778 11.776 -7.384 1.00 0.00 C ATOM 1414 O PHE 2 38 0.133 11.465 -8.384 1.00 0.00 O ATOM 1415 CB PHE 2 38 2.886 10.501 -7.758 1.00 0.00 C ATOM 1416 CG PHE 2 38 3.879 11.653 -7.927 1.00 0.00 C ATOM 1417 CD1 PHE 2 38 4.839 11.867 -6.987 1.00 0.00 C ATOM 1418 CD2 PHE 2 38 3.800 12.465 -9.015 1.00 0.00 C ATOM 1419 CE1 PHE 2 38 5.760 12.936 -7.143 1.00 0.00 C ATOM 1420 CE2 PHE 2 38 4.723 13.534 -9.172 1.00 0.00 C ATOM 1421 CZ PHE 2 38 5.682 13.747 -8.232 1.00 0.00 C ATOM 0 H PHE 2 38 1.178 8.829 -7.218 1.00 0.00 H new ATOM 0 HA PHE 2 38 2.145 11.230 -5.837 1.00 0.00 H new ATOM 0 HB2 PHE 2 38 3.428 9.612 -7.435 1.00 0.00 H new ATOM 0 HB3 PHE 2 38 2.444 10.271 -8.727 1.00 0.00 H new ATOM 0 HD1 PHE 2 38 4.900 11.223 -6.122 1.00 0.00 H new ATOM 0 HD2 PHE 2 38 3.036 12.297 -9.760 1.00 0.00 H new ATOM 0 HE1 PHE 2 38 6.522 13.105 -6.397 1.00 0.00 H new ATOM 0 HE2 PHE 2 38 4.663 14.177 -10.038 1.00 0.00 H new ATOM 0 HZ PHE 2 38 6.382 14.561 -8.350 1.00 0.00 H new ATOM 1431 N ASP 2 39 0.694 12.947 -6.771 1.00 0.00 N ATOM 1432 CA ASP 2 39 -0.202 13.983 -7.256 1.00 0.00 C ATOM 1433 C ASP 2 39 0.298 14.491 -8.609 1.00 0.00 C ATOM 1434 O ASP 2 39 0.046 13.869 -9.641 1.00 0.00 O ATOM 1435 CB ASP 2 39 -0.245 15.170 -6.292 1.00 0.00 C ATOM 1436 CG ASP 2 39 -0.901 16.434 -6.851 1.00 0.00 C ATOM 1437 OD1 ASP 2 39 -2.084 16.333 -7.244 1.00 0.00 O ATOM 1438 OD2 ASP 2 39 -0.207 17.473 -6.873 1.00 0.00 O ATOM 0 H ASP 2 39 1.232 13.202 -5.943 1.00 0.00 H new ATOM 0 HA ASP 2 39 -1.200 13.552 -7.342 1.00 0.00 H new ATOM 0 HB2 ASP 2 39 -0.781 14.868 -5.392 1.00 0.00 H new ATOM 0 HB3 ASP 2 39 0.774 15.411 -5.990 1.00 0.00 H new ATOM 1443 N SER 2 40 0.996 15.616 -8.562 1.00 0.00 N ATOM 1444 CA SER 2 40 1.533 16.215 -9.772 1.00 0.00 C ATOM 1445 C SER 2 40 0.513 17.182 -10.376 1.00 0.00 C ATOM 1446 O SER 2 40 0.818 17.898 -11.328 1.00 0.00 O ATOM 1447 CB SER 2 40 1.918 15.142 -10.794 1.00 0.00 C ATOM 1448 OG SER 2 40 2.964 15.579 -11.658 1.00 0.00 O ATOM 0 H SER 2 40 1.202 16.129 -7.705 1.00 0.00 H new ATOM 0 HA SER 2 40 2.435 16.768 -9.508 1.00 0.00 H new ATOM 0 HB2 SER 2 40 2.233 14.239 -10.271 1.00 0.00 H new ATOM 0 HB3 SER 2 40 1.044 14.877 -11.388 1.00 0.00 H new ATOM 0 HG SER 2 40 3.182 14.866 -12.294 1.00 0.00 H new ATOM 1454 N ARG 2 41 -0.679 17.170 -9.797 1.00 0.00 N ATOM 1455 CA ARG 2 41 -1.747 18.037 -10.267 1.00 0.00 C ATOM 1456 C ARG 2 41 -1.721 19.367 -9.511 1.00 0.00 C ATOM 1457 O ARG 2 41 -1.635 20.431 -10.123 1.00 0.00 O ATOM 1458 CB ARG 2 41 -3.115 17.378 -10.077 1.00 0.00 C ATOM 1459 CG ARG 2 41 -3.097 15.928 -10.565 1.00 0.00 C ATOM 1460 CD ARG 2 41 -4.368 15.599 -11.351 1.00 0.00 C ATOM 1461 NE ARG 2 41 -4.022 14.869 -12.591 1.00 0.00 N ATOM 1462 CZ ARG 2 41 -4.900 14.573 -13.558 1.00 0.00 C ATOM 1463 NH1 ARG 2 41 -6.183 14.940 -13.434 1.00 0.00 N ATOM 1464 NH2 ARG 2 41 -4.496 13.908 -14.649 1.00 0.00 N ATOM 0 H ARG 2 41 -0.929 16.574 -9.008 1.00 0.00 H new ATOM 0 HA ARG 2 41 -1.586 18.215 -11.330 1.00 0.00 H new ATOM 0 HB2 ARG 2 41 -3.394 17.408 -9.024 1.00 0.00 H new ATOM 0 HB3 ARG 2 41 -3.873 17.940 -10.623 1.00 0.00 H new ATOM 0 HG2 ARG 2 41 -2.223 15.763 -11.195 1.00 0.00 H new ATOM 0 HG3 ARG 2 41 -3.008 15.255 -9.713 1.00 0.00 H new ATOM 0 HD2 ARG 2 41 -5.038 14.995 -10.739 1.00 0.00 H new ATOM 0 HD3 ARG 2 41 -4.901 16.517 -11.597 1.00 0.00 H new ATOM 0 HE ARG 2 41 -3.054 14.573 -12.717 1.00 0.00 H new ATOM 0 HH11 ARG 2 41 -6.491 15.445 -12.603 1.00 0.00 H new ATOM 0 HH12 ARG 2 41 -6.851 14.714 -14.171 1.00 0.00 H new ATOM 0 HH21 ARG 2 41 -3.520 13.627 -14.743 1.00 0.00 H new ATOM 0 HH22 ARG 2 41 -5.165 13.682 -15.386 1.00 0.00 H new ATOM 1478 N ILE 2 42 -1.795 19.264 -8.192 1.00 0.00 N ATOM 1479 CA ILE 2 42 -1.781 20.447 -7.347 1.00 0.00 C ATOM 1480 C ILE 2 42 -0.586 20.373 -6.395 1.00 0.00 C ATOM 1481 O ILE 2 42 -0.410 19.380 -5.690 1.00 0.00 O ATOM 1482 CB ILE 2 42 -3.125 20.613 -6.636 1.00 0.00 C ATOM 1483 CG1 ILE 2 42 -4.241 19.894 -7.398 1.00 0.00 C ATOM 1484 CG2 ILE 2 42 -3.446 22.091 -6.410 1.00 0.00 C ATOM 1485 CD1 ILE 2 42 -5.592 20.096 -6.709 1.00 0.00 C ATOM 0 H ILE 2 42 -1.865 18.380 -7.688 1.00 0.00 H new ATOM 0 HA ILE 2 42 -1.653 21.346 -7.950 1.00 0.00 H new ATOM 0 HB ILE 2 42 -3.052 20.145 -5.654 1.00 0.00 H new ATOM 0 HG12 ILE 2 42 -4.290 20.270 -8.420 1.00 0.00 H new ATOM 0 HG13 ILE 2 42 -4.016 18.829 -7.461 1.00 0.00 H new ATOM 0 HG21 ILE 2 42 -4.407 22.181 -5.903 1.00 0.00 H new ATOM 0 HG22 ILE 2 42 -2.667 22.543 -5.795 1.00 0.00 H new ATOM 0 HG23 ILE 2 42 -3.493 22.604 -7.371 1.00 0.00 H new ATOM 0 HD11 ILE 2 42 -6.368 19.575 -7.270 1.00 0.00 H new ATOM 0 HD12 ILE 2 42 -5.547 19.697 -5.696 1.00 0.00 H new ATOM 0 HD13 ILE 2 42 -5.825 21.160 -6.670 1.00 0.00 H new ATOM 1497 N PRO 2 43 0.225 21.465 -6.404 1.00 0.00 N ATOM 1498 CA PRO 2 43 1.398 21.533 -5.549 1.00 0.00 C ATOM 1499 C PRO 2 43 1.003 21.797 -4.096 1.00 0.00 C ATOM 1500 O PRO 2 43 1.824 21.659 -3.190 1.00 0.00 O ATOM 1501 CB PRO 2 43 2.253 22.641 -6.143 1.00 0.00 C ATOM 1502 CG PRO 2 43 1.322 23.461 -7.022 1.00 0.00 C ATOM 1503 CD PRO 2 43 0.047 22.659 -7.226 1.00 0.00 C ATOM 0 HA PRO 2 43 1.951 20.594 -5.518 1.00 0.00 H new ATOM 0 HB2 PRO 2 43 2.693 23.257 -5.359 1.00 0.00 H new ATOM 0 HB3 PRO 2 43 3.077 22.229 -6.725 1.00 0.00 H new ATOM 0 HG2 PRO 2 43 1.099 24.419 -6.553 1.00 0.00 H new ATOM 0 HG3 PRO 2 43 1.794 23.678 -7.980 1.00 0.00 H new ATOM 0 HD2 PRO 2 43 -0.831 23.226 -6.916 1.00 0.00 H new ATOM 0 HD3 PRO 2 43 -0.094 22.400 -8.275 1.00 0.00 H new ATOM 1511 N GLY 2 44 -0.256 22.172 -3.917 1.00 0.00 N ATOM 1512 CA GLY 2 44 -0.770 22.456 -2.588 1.00 0.00 C ATOM 1513 C GLY 2 44 -1.350 21.196 -1.943 1.00 0.00 C ATOM 1514 O GLY 2 44 -1.695 21.201 -0.763 1.00 0.00 O ATOM 0 H GLY 2 44 -0.934 22.286 -4.670 1.00 0.00 H new ATOM 0 HA2 GLY 2 44 0.029 22.854 -1.963 1.00 0.00 H new ATOM 0 HA3 GLY 2 44 -1.540 23.225 -2.649 1.00 0.00 H new ATOM 1518 N VAL 2 45 -1.438 20.146 -2.746 1.00 0.00 N ATOM 1519 CA VAL 2 45 -1.970 18.880 -2.269 1.00 0.00 C ATOM 1520 C VAL 2 45 -0.816 17.906 -2.027 1.00 0.00 C ATOM 1521 O VAL 2 45 0.323 18.181 -2.402 1.00 0.00 O ATOM 1522 CB VAL 2 45 -3.009 18.344 -3.255 1.00 0.00 C ATOM 1523 CG1 VAL 2 45 -2.467 17.131 -4.015 1.00 0.00 C ATOM 1524 CG2 VAL 2 45 -4.318 18.004 -2.542 1.00 0.00 C ATOM 0 H VAL 2 45 -1.150 20.146 -3.724 1.00 0.00 H new ATOM 0 HA VAL 2 45 -2.485 19.016 -1.318 1.00 0.00 H new ATOM 0 HB VAL 2 45 -3.219 19.129 -3.981 1.00 0.00 H new ATOM 0 HG11 VAL 2 45 -3.225 16.769 -4.710 1.00 0.00 H new ATOM 0 HG12 VAL 2 45 -1.574 17.419 -4.570 1.00 0.00 H new ATOM 0 HG13 VAL 2 45 -2.216 16.341 -3.307 1.00 0.00 H new ATOM 0 HG21 VAL 2 45 -5.039 17.625 -3.266 1.00 0.00 H new ATOM 0 HG22 VAL 2 45 -4.132 17.244 -1.783 1.00 0.00 H new ATOM 0 HG23 VAL 2 45 -4.717 18.900 -2.067 1.00 0.00 H new ATOM 1534 N PRO 2 46 -1.158 16.757 -1.385 1.00 0.00 N ATOM 1535 CA PRO 2 46 -0.164 15.740 -1.088 1.00 0.00 C ATOM 1536 C PRO 2 46 0.218 14.963 -2.350 1.00 0.00 C ATOM 1537 O PRO 2 46 -0.621 14.287 -2.944 1.00 0.00 O ATOM 1538 CB PRO 2 46 -0.801 14.866 -0.022 1.00 0.00 C ATOM 1539 CG PRO 2 46 -2.295 15.142 -0.094 1.00 0.00 C ATOM 1540 CD PRO 2 46 -2.497 16.398 -0.926 1.00 0.00 C ATOM 0 HA PRO 2 46 0.775 16.161 -0.729 1.00 0.00 H new ATOM 0 HB2 PRO 2 46 -0.589 13.812 -0.203 1.00 0.00 H new ATOM 0 HB3 PRO 2 46 -0.407 15.105 0.966 1.00 0.00 H new ATOM 0 HG2 PRO 2 46 -2.818 14.298 -0.544 1.00 0.00 H new ATOM 0 HG3 PRO 2 46 -2.707 15.276 0.906 1.00 0.00 H new ATOM 0 HD2 PRO 2 46 -3.167 16.213 -1.765 1.00 0.00 H new ATOM 0 HD3 PRO 2 46 -2.941 17.198 -0.334 1.00 0.00 H new ATOM 1548 N TRP 2 47 1.484 15.084 -2.721 1.00 0.00 N ATOM 1549 CA TRP 2 47 1.987 14.401 -3.900 1.00 0.00 C ATOM 1550 C TRP 2 47 2.423 12.995 -3.483 1.00 0.00 C ATOM 1551 O TRP 2 47 3.333 12.421 -4.079 1.00 0.00 O ATOM 1552 CB TRP 2 47 3.109 15.203 -4.562 1.00 0.00 C ATOM 1553 CG TRP 2 47 3.202 16.654 -4.085 1.00 0.00 C ATOM 1554 CD1 TRP 2 47 2.439 17.693 -4.449 1.00 0.00 C ATOM 1555 CD2 TRP 2 47 4.147 17.187 -3.132 1.00 0.00 C ATOM 1556 NE1 TRP 2 47 2.822 18.852 -3.805 1.00 0.00 N ATOM 1557 CE2 TRP 2 47 3.893 18.534 -2.978 1.00 0.00 C ATOM 1558 CE3 TRP 2 47 5.182 16.551 -2.425 1.00 0.00 C ATOM 1559 CZ2 TRP 2 47 4.631 19.360 -2.123 1.00 0.00 C ATOM 1560 CZ3 TRP 2 47 5.911 17.391 -1.573 1.00 0.00 C ATOM 1561 CH2 TRP 2 47 5.667 18.749 -1.408 1.00 0.00 C ATOM 0 H TRP 2 47 2.177 15.645 -2.225 1.00 0.00 H new ATOM 0 HA TRP 2 47 1.207 14.313 -4.656 1.00 0.00 H new ATOM 0 HB2 TRP 2 47 4.060 14.706 -4.369 1.00 0.00 H new ATOM 0 HB3 TRP 2 47 2.959 15.195 -5.642 1.00 0.00 H new ATOM 0 HD1 TRP 2 47 1.626 17.631 -5.157 1.00 0.00 H new ATOM 0 HE1 TRP 2 47 2.397 19.773 -3.916 1.00 0.00 H new ATOM 0 HE3 TRP 2 47 5.398 15.498 -2.530 1.00 0.00 H new ATOM 0 HZ2 TRP 2 47 4.413 20.413 -2.020 1.00 0.00 H new ATOM 0 HZ3 TRP 2 47 6.718 16.953 -1.005 1.00 0.00 H new ATOM 0 HH2 TRP 2 47 6.275 19.331 -0.731 1.00 0.00 H new ATOM 1572 N CYS 2 48 1.754 12.481 -2.461 1.00 0.00 N ATOM 1573 CA CYS 2 48 2.061 11.154 -1.956 1.00 0.00 C ATOM 1574 C CYS 2 48 0.984 10.765 -0.942 1.00 0.00 C ATOM 1575 O CYS 2 48 1.090 11.095 0.238 1.00 0.00 O ATOM 1576 CB CYS 2 48 3.465 11.089 -1.352 1.00 0.00 C ATOM 1577 SG CYS 2 48 4.233 9.429 -1.370 1.00 0.00 S ATOM 0 H CYS 2 48 1.000 12.960 -1.969 1.00 0.00 H new ATOM 0 HA CYS 2 48 2.058 10.439 -2.779 1.00 0.00 H new ATOM 0 HB2 CYS 2 48 4.111 11.778 -1.895 1.00 0.00 H new ATOM 0 HB3 CYS 2 48 3.418 11.441 -0.321 1.00 0.00 H new ATOM 1582 N PHE 2 49 -0.027 10.067 -1.439 1.00 0.00 N ATOM 1583 CA PHE 2 49 -1.122 9.629 -0.590 1.00 0.00 C ATOM 1584 C PHE 2 49 -1.448 8.155 -0.834 1.00 0.00 C ATOM 1585 O PHE 2 49 -0.722 7.464 -1.547 1.00 0.00 O ATOM 1586 CB PHE 2 49 -2.341 10.478 -0.959 1.00 0.00 C ATOM 1587 CG PHE 2 49 -2.355 10.946 -2.415 1.00 0.00 C ATOM 1588 CD1 PHE 2 49 -1.368 11.762 -2.876 1.00 0.00 C ATOM 1589 CD2 PHE 2 49 -3.352 10.548 -3.250 1.00 0.00 C ATOM 1590 CE1 PHE 2 49 -1.381 12.198 -4.227 1.00 0.00 C ATOM 1591 CE2 PHE 2 49 -3.364 10.983 -4.600 1.00 0.00 C ATOM 1592 CZ PHE 2 49 -2.379 11.800 -5.061 1.00 0.00 C ATOM 0 H PHE 2 49 -0.111 9.794 -2.418 1.00 0.00 H new ATOM 0 HA PHE 2 49 -0.849 9.744 0.459 1.00 0.00 H new ATOM 0 HB2 PHE 2 49 -3.245 9.901 -0.765 1.00 0.00 H new ATOM 0 HB3 PHE 2 49 -2.374 11.351 -0.307 1.00 0.00 H new ATOM 0 HD1 PHE 2 49 -0.575 12.078 -2.214 1.00 0.00 H new ATOM 0 HD2 PHE 2 49 -4.135 9.900 -2.885 1.00 0.00 H new ATOM 0 HE1 PHE 2 49 -0.598 12.846 -4.593 1.00 0.00 H new ATOM 0 HE2 PHE 2 49 -4.156 10.665 -5.262 1.00 0.00 H new ATOM 0 HZ PHE 2 49 -2.389 12.132 -6.089 1.00 0.00 H new ATOM 1602 N LYS 2 50 -2.542 7.715 -0.228 1.00 0.00 N ATOM 1603 CA LYS 2 50 -2.974 6.335 -0.371 1.00 0.00 C ATOM 1604 C LYS 2 50 -4.428 6.307 -0.846 1.00 0.00 C ATOM 1605 O LYS 2 50 -5.323 5.925 -0.093 1.00 0.00 O ATOM 1606 CB LYS 2 50 -2.737 5.563 0.929 1.00 0.00 C ATOM 1607 CG LYS 2 50 -3.390 6.273 2.116 1.00 0.00 C ATOM 1608 CD LYS 2 50 -2.364 6.570 3.211 1.00 0.00 C ATOM 1609 CE LYS 2 50 -1.283 7.527 2.704 1.00 0.00 C ATOM 1610 NZ LYS 2 50 -1.761 8.926 2.761 1.00 0.00 N ATOM 0 H LYS 2 50 -3.142 8.290 0.363 1.00 0.00 H new ATOM 0 HA LYS 2 50 -2.380 5.826 -1.130 1.00 0.00 H new ATOM 0 HB2 LYS 2 50 -3.142 4.555 0.836 1.00 0.00 H new ATOM 0 HB3 LYS 2 50 -1.666 5.462 1.106 1.00 0.00 H new ATOM 0 HG2 LYS 2 50 -3.848 7.203 1.780 1.00 0.00 H new ATOM 0 HG3 LYS 2 50 -4.189 5.652 2.521 1.00 0.00 H new ATOM 0 HD2 LYS 2 50 -2.865 7.006 4.075 1.00 0.00 H new ATOM 0 HD3 LYS 2 50 -1.904 5.640 3.545 1.00 0.00 H new ATOM 0 HE2 LYS 2 50 -0.382 7.420 3.308 1.00 0.00 H new ATOM 0 HE3 LYS 2 50 -1.013 7.270 1.680 1.00 0.00 H new ATOM 0 HZ1 LYS 2 50 -1.126 9.533 2.204 1.00 0.00 H new ATOM 0 HZ2 LYS 2 50 -2.723 8.980 2.370 1.00 0.00 H new ATOM 0 HZ3 LYS 2 50 -1.770 9.250 3.749 1.00 0.00 H new ATOM 1624 N PRO 2 51 -4.622 6.727 -2.125 1.00 0.00 N ATOM 1625 CA PRO 2 51 -5.952 6.753 -2.710 1.00 0.00 C ATOM 1626 C PRO 2 51 -6.423 5.341 -3.065 1.00 0.00 C ATOM 1627 O PRO 2 51 -6.921 4.615 -2.206 1.00 0.00 O ATOM 1628 CB PRO 2 51 -5.831 7.662 -3.922 1.00 0.00 C ATOM 1629 CG PRO 2 51 -4.346 7.738 -4.240 1.00 0.00 C ATOM 1630 CD PRO 2 51 -3.586 7.186 -3.044 1.00 0.00 C ATOM 0 HA PRO 2 51 -6.708 7.130 -2.021 1.00 0.00 H new ATOM 0 HB2 PRO 2 51 -6.391 7.262 -4.767 1.00 0.00 H new ATOM 0 HB3 PRO 2 51 -6.236 8.651 -3.710 1.00 0.00 H new ATOM 0 HG2 PRO 2 51 -4.117 7.162 -5.137 1.00 0.00 H new ATOM 0 HG3 PRO 2 51 -4.050 8.768 -4.438 1.00 0.00 H new ATOM 0 HD2 PRO 2 51 -2.927 6.369 -3.337 1.00 0.00 H new ATOM 0 HD3 PRO 2 51 -2.961 7.952 -2.585 1.00 0.00 H new ATOM 1638 N LEU 2 52 -6.249 4.995 -4.332 1.00 0.00 N ATOM 1639 CA LEU 2 52 -6.649 3.684 -4.811 1.00 0.00 C ATOM 1640 C LEU 2 52 -5.436 2.752 -4.809 1.00 0.00 C ATOM 1641 O LEU 2 52 -5.315 1.880 -5.669 1.00 0.00 O ATOM 1642 CB LEU 2 52 -7.334 3.797 -6.174 1.00 0.00 C ATOM 1643 CG LEU 2 52 -6.415 3.715 -7.396 1.00 0.00 C ATOM 1644 CD1 LEU 2 52 -6.642 2.412 -8.164 1.00 0.00 C ATOM 1645 CD2 LEU 2 52 -6.581 4.945 -8.290 1.00 0.00 C ATOM 0 H LEU 2 52 -5.836 5.601 -5.041 1.00 0.00 H new ATOM 0 HA LEU 2 52 -7.390 3.245 -4.143 1.00 0.00 H new ATOM 0 HB2 LEU 2 52 -8.079 3.005 -6.251 1.00 0.00 H new ATOM 0 HB3 LEU 2 52 -7.871 4.745 -6.211 1.00 0.00 H new ATOM 0 HG LEU 2 52 -5.382 3.708 -7.048 1.00 0.00 H new ATOM 0 HD11 LEU 2 52 -5.977 2.378 -9.027 1.00 0.00 H new ATOM 0 HD12 LEU 2 52 -6.433 1.564 -7.512 1.00 0.00 H new ATOM 0 HD13 LEU 2 52 -7.677 2.364 -8.501 1.00 0.00 H new ATOM 0 HD21 LEU 2 52 -5.917 4.862 -9.151 1.00 0.00 H new ATOM 0 HD22 LEU 2 52 -7.614 5.009 -8.633 1.00 0.00 H new ATOM 0 HD23 LEU 2 52 -6.331 5.842 -7.724 1.00 0.00 H new ATOM 1657 N GLN 2 53 -4.566 2.968 -3.833 1.00 0.00 N ATOM 1658 CA GLN 2 53 -3.365 2.158 -3.707 1.00 0.00 C ATOM 1659 C GLN 2 53 -3.708 0.674 -3.854 1.00 0.00 C ATOM 1660 O GLN 2 53 -2.846 -0.135 -4.192 1.00 0.00 O ATOM 1661 CB GLN 2 53 -2.659 2.428 -2.378 1.00 0.00 C ATOM 1662 CG GLN 2 53 -2.199 3.885 -2.287 1.00 0.00 C ATOM 1663 CD GLN 2 53 -1.218 4.221 -3.412 1.00 0.00 C ATOM 1664 OE1 GLN 2 53 -1.243 5.295 -3.991 1.00 0.00 O ATOM 1665 NE2 GLN 2 53 -0.355 3.247 -3.686 1.00 0.00 N ATOM 0 H GLN 2 53 -4.669 3.692 -3.122 1.00 0.00 H new ATOM 0 HA GLN 2 53 -2.679 2.433 -4.508 1.00 0.00 H new ATOM 0 HB2 GLN 2 53 -3.334 2.204 -1.552 1.00 0.00 H new ATOM 0 HB3 GLN 2 53 -1.800 1.765 -2.277 1.00 0.00 H new ATOM 0 HG2 GLN 2 53 -3.063 4.547 -2.343 1.00 0.00 H new ATOM 0 HG3 GLN 2 53 -1.725 4.061 -1.321 1.00 0.00 H new ATOM 0 HE21 GLN 2 53 -0.390 2.373 -3.162 1.00 0.00 H new ATOM 0 HE22 GLN 2 53 0.342 3.374 -4.420 1.00 0.00 H new ATOM 1674 N GLU 2 54 -4.970 0.362 -3.593 1.00 0.00 N ATOM 1675 CA GLU 2 54 -5.437 -1.010 -3.692 1.00 0.00 C ATOM 1676 C GLU 2 54 -4.794 -1.704 -4.895 1.00 0.00 C ATOM 1677 O GLU 2 54 -4.649 -2.926 -4.906 1.00 0.00 O ATOM 1678 CB GLU 2 54 -6.963 -1.064 -3.779 1.00 0.00 C ATOM 1679 CG GLU 2 54 -7.447 -0.658 -5.173 1.00 0.00 C ATOM 1680 CD GLU 2 54 -8.027 -1.859 -5.923 1.00 0.00 C ATOM 1681 OE1 GLU 2 54 -9.031 -2.410 -5.423 1.00 0.00 O ATOM 1682 OE2 GLU 2 54 -7.453 -2.198 -6.980 1.00 0.00 O ATOM 0 H GLU 2 54 -5.683 1.036 -3.313 1.00 0.00 H new ATOM 0 HA GLU 2 54 -5.138 -1.541 -2.788 1.00 0.00 H new ATOM 0 HB2 GLU 2 54 -7.309 -2.072 -3.549 1.00 0.00 H new ATOM 0 HB3 GLU 2 54 -7.397 -0.400 -3.032 1.00 0.00 H new ATOM 0 HG2 GLU 2 54 -8.204 0.121 -5.086 1.00 0.00 H new ATOM 0 HG3 GLU 2 54 -6.618 -0.236 -5.741 1.00 0.00 H new ATOM 1689 N ALA 2 55 -4.426 -0.895 -5.877 1.00 0.00 N ATOM 1690 CA ALA 2 55 -3.802 -1.417 -7.081 1.00 0.00 C ATOM 1691 C ALA 2 55 -2.989 -2.664 -6.730 1.00 0.00 C ATOM 1692 O ALA 2 55 -3.326 -3.768 -7.155 1.00 0.00 O ATOM 1693 CB ALA 2 55 -2.945 -0.325 -7.726 1.00 0.00 C ATOM 0 H ALA 2 55 -4.548 0.118 -5.864 1.00 0.00 H new ATOM 0 HA ALA 2 55 -4.559 -1.711 -7.809 1.00 0.00 H new ATOM 0 HB1 ALA 2 55 -2.477 -0.716 -8.629 1.00 0.00 H new ATOM 0 HB2 ALA 2 55 -3.574 0.527 -7.983 1.00 0.00 H new ATOM 0 HB3 ALA 2 55 -2.173 -0.007 -7.025 1.00 0.00 H new ATOM 1699 N GLU 2 56 -1.934 -2.447 -5.958 1.00 0.00 N ATOM 1700 CA GLU 2 56 -1.071 -3.539 -5.544 1.00 0.00 C ATOM 1701 C GLU 2 56 -0.841 -3.492 -4.033 1.00 0.00 C ATOM 1702 O GLU 2 56 0.075 -4.134 -3.521 1.00 0.00 O ATOM 1703 CB GLU 2 56 0.257 -3.506 -6.303 1.00 0.00 C ATOM 1704 CG GLU 2 56 0.079 -3.993 -7.743 1.00 0.00 C ATOM 1705 CD GLU 2 56 0.964 -5.208 -8.025 1.00 0.00 C ATOM 1706 OE1 GLU 2 56 0.863 -6.178 -7.242 1.00 0.00 O ATOM 1707 OE2 GLU 2 56 1.723 -5.141 -9.016 1.00 0.00 O ATOM 0 H GLU 2 56 -1.658 -1.530 -5.608 1.00 0.00 H new ATOM 0 HA GLU 2 56 -1.567 -4.479 -5.786 1.00 0.00 H new ATOM 0 HB2 GLU 2 56 0.653 -2.491 -6.305 1.00 0.00 H new ATOM 0 HB3 GLU 2 56 0.988 -4.132 -5.791 1.00 0.00 H new ATOM 0 HG2 GLU 2 56 -0.966 -4.252 -7.917 1.00 0.00 H new ATOM 0 HG3 GLU 2 56 0.328 -3.189 -8.436 1.00 0.00 H new ATOM 1714 N CYS 2 57 -1.687 -2.726 -3.361 1.00 0.00 N ATOM 1715 CA CYS 2 57 -1.587 -2.585 -1.918 1.00 0.00 C ATOM 1716 C CYS 2 57 -2.568 -3.566 -1.271 1.00 0.00 C ATOM 1717 O CYS 2 57 -2.197 -4.690 -0.937 1.00 0.00 O ATOM 1718 CB CYS 2 57 -1.842 -1.144 -1.471 1.00 0.00 C ATOM 1719 SG CYS 2 57 -0.363 -0.258 -0.859 1.00 0.00 S ATOM 0 H CYS 2 57 -2.446 -2.196 -3.789 1.00 0.00 H new ATOM 0 HA CYS 2 57 -0.573 -2.821 -1.596 1.00 0.00 H new ATOM 0 HB2 CYS 2 57 -2.261 -0.587 -2.309 1.00 0.00 H new ATOM 0 HB3 CYS 2 57 -2.596 -1.151 -0.684 1.00 0.00 H new ATOM 1724 N THR 2 58 -3.800 -3.104 -1.115 1.00 0.00 N ATOM 1725 CA THR 2 58 -4.836 -3.926 -0.514 1.00 0.00 C ATOM 1726 C THR 2 58 -4.681 -5.385 -0.953 1.00 0.00 C ATOM 1727 O THR 2 58 -4.991 -6.301 -0.193 1.00 0.00 O ATOM 1728 CB THR 2 58 -6.192 -3.322 -0.882 1.00 0.00 C ATOM 1729 OG1 THR 2 58 -7.032 -3.657 0.219 1.00 0.00 O ATOM 1730 CG2 THR 2 58 -6.842 -4.027 -2.075 1.00 0.00 C ATOM 0 H THR 2 58 -4.104 -2.171 -1.394 1.00 0.00 H new ATOM 0 HA THR 2 58 -4.753 -3.935 0.573 1.00 0.00 H new ATOM 0 HB THR 2 58 -6.068 -2.263 -1.109 1.00 0.00 H new ATOM 0 HG1 THR 2 58 -7.932 -3.302 0.064 1.00 0.00 H new ATOM 0 HG21 THR 2 58 -7.802 -3.560 -2.295 1.00 0.00 H new ATOM 0 HG22 THR 2 58 -6.191 -3.945 -2.945 1.00 0.00 H new ATOM 0 HG23 THR 2 58 -6.997 -5.079 -1.836 1.00 0.00 H new ATOM 1738 N PHE 2 59 -4.202 -5.553 -2.176 1.00 0.00 N ATOM 1739 CA PHE 2 59 -4.002 -6.884 -2.725 1.00 0.00 C ATOM 1740 C PHE 2 59 -3.585 -7.870 -1.632 1.00 0.00 C ATOM 1741 O PHE 2 59 -3.004 -8.915 -1.923 1.00 0.00 O ATOM 1742 CB PHE 2 59 -2.878 -6.778 -3.756 1.00 0.00 C ATOM 1743 CG PHE 2 59 -3.254 -7.305 -5.143 1.00 0.00 C ATOM 1744 CD1 PHE 2 59 -4.181 -6.650 -5.891 1.00 0.00 C ATOM 1745 CD2 PHE 2 59 -2.660 -8.429 -5.627 1.00 0.00 C ATOM 1746 CE1 PHE 2 59 -4.531 -7.139 -7.178 1.00 0.00 C ATOM 1747 CE2 PHE 2 59 -3.009 -8.918 -6.914 1.00 0.00 C ATOM 1748 CZ PHE 2 59 -3.937 -8.263 -7.662 1.00 0.00 C ATOM 0 H PHE 2 59 -3.946 -4.790 -2.803 1.00 0.00 H new ATOM 0 HA PHE 2 59 -4.929 -7.247 -3.170 1.00 0.00 H new ATOM 0 HB2 PHE 2 59 -2.577 -5.734 -3.844 1.00 0.00 H new ATOM 0 HB3 PHE 2 59 -2.011 -7.330 -3.392 1.00 0.00 H new ATOM 0 HD1 PHE 2 59 -4.652 -5.757 -5.507 1.00 0.00 H new ATOM 0 HD2 PHE 2 59 -1.923 -8.949 -5.033 1.00 0.00 H new ATOM 0 HE1 PHE 2 59 -5.268 -6.619 -7.772 1.00 0.00 H new ATOM 0 HE2 PHE 2 59 -2.537 -9.810 -7.299 1.00 0.00 H new ATOM 0 HZ PHE 2 59 -4.202 -8.635 -8.640 1.00 0.00 H new TER 1758 PHE 2 59