USER MOD reduce.3.24.130724 H: found=0, std=0, add=651, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 652 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 : T 3 TYR OH : rot 88:sc= 0.606 USER MOD Single : T 4 HIS : no HD1:sc= -1.05 K(o=-1.1,f=-0.53) USER MOD Single : T 9 SER OG : rot 180:sc= 0 USER MOD Single : T 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : T 12 TYR OH : rot 180:sc= 0 USER MOD Single : T 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : T 15 THR OG1 : rot 180:sc= -3.42! USER MOD Single : T 16 TYR OH : rot 180:sc= 0 USER MOD Single : T 20 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0169) USER MOD Single : T 29 HIS : no HD1:sc= -5.41! C(o=-5.4!,f=-8.3!) USER MOD Single : T 32 THR OG1 : rot 170:sc= -1.22 USER MOD Single : T 33 TYR OH : rot 180:sc= 0 USER MOD Single : T 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : T 35 GLN : amide:sc= 0.04 K(o=0.04,f=-2.2) USER MOD Single : T 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : T 45 HIS : no HD1:sc= -6.01! C(o=-6!,f=-3.9!) USER MOD Single : T 47 CYS SG : rot -50:sc= -0.233 USER MOD Single : T 52 MET CE :methyl -146:sc= -0.372 (180deg=-1.44!) USER MOD Single : T 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : T 59 TYR OH : rot 154:sc= 0.00899 USER MOD Single : T 73 THR OG1 : rot -14:sc= 0.746 USER MOD Single : T 78 TYR OH : rot 180:sc= 0 USER MOD Single : T 83 ASN : amide:sc= -1.86! K(o=-1.9!,f=-0.28) USER MOD Single : T 85 SER OG : rot 53:sc= 0.0768! USER MOD Single : T 91 TYR OH : rot 126:sc= -5.53! USER MOD Single : T 93 TYR OH : rot 180:sc= 0 USER MOD Single : T 94 ASN : amide:sc= -2.51! C(o=-2.5!,f=-10!) USER MOD ----------------------------------------------------------------- ATOM 10 N VAL T 2 -8.443 2.416 7.026 1.00 0.00 N ATOM 11 CA VAL T 2 -7.453 2.198 5.979 1.00 0.00 C ATOM 12 C VAL T 2 -7.856 1.040 5.071 1.00 0.00 C ATOM 13 O VAL T 2 -8.356 0.018 5.539 1.00 0.00 O ATOM 14 CB VAL T 2 -6.063 1.909 6.576 1.00 0.00 C ATOM 15 CG1 VAL T 2 -6.159 0.864 7.676 1.00 0.00 C ATOM 16 CG2 VAL T 2 -5.095 1.465 5.491 1.00 0.00 C ATOM 0 HA VAL T 2 -7.406 3.115 5.391 1.00 0.00 H new ATOM 0 HB VAL T 2 -5.680 2.830 7.015 1.00 0.00 H new ATOM 0 HG11 VAL T 2 -5.167 0.674 8.085 1.00 0.00 H new ATOM 0 HG12 VAL T 2 -6.814 1.228 8.468 1.00 0.00 H new ATOM 0 HG13 VAL T 2 -6.565 -0.060 7.265 1.00 0.00 H new ATOM 0 HG21 VAL T 2 -4.119 1.266 5.933 1.00 0.00 H new ATOM 0 HG22 VAL T 2 -5.471 0.558 5.017 1.00 0.00 H new ATOM 0 HG23 VAL T 2 -5.001 2.252 4.743 1.00 0.00 H new ATOM 26 N TYR T 3 -7.633 1.208 3.771 1.00 0.00 N ATOM 27 CA TYR T 3 -7.973 0.176 2.799 1.00 0.00 C ATOM 28 C TYR T 3 -7.001 0.191 1.623 1.00 0.00 C ATOM 29 O TYR T 3 -6.093 1.020 1.566 1.00 0.00 O ATOM 30 CB TYR T 3 -9.405 0.369 2.295 1.00 0.00 C ATOM 31 CG TYR T 3 -9.699 1.772 1.815 1.00 0.00 C ATOM 32 CD1 TYR T 3 -10.072 2.769 2.708 1.00 0.00 C ATOM 33 CD2 TYR T 3 -9.605 2.100 0.467 1.00 0.00 C ATOM 34 CE1 TYR T 3 -10.342 4.053 2.273 1.00 0.00 C ATOM 35 CE2 TYR T 3 -9.873 3.381 0.025 1.00 0.00 C ATOM 36 CZ TYR T 3 -10.241 4.353 0.932 1.00 0.00 C ATOM 37 OH TYR T 3 -10.510 5.630 0.495 1.00 0.00 O ATOM 0 H TYR T 3 -7.219 2.048 3.367 1.00 0.00 H new ATOM 0 HA TYR T 3 -7.898 -0.791 3.296 1.00 0.00 H new ATOM 0 HB2 TYR T 3 -9.591 -0.330 1.480 1.00 0.00 H new ATOM 0 HB3 TYR T 3 -10.099 0.116 3.096 1.00 0.00 H new ATOM 0 HD1 TYR T 3 -10.152 2.537 3.760 1.00 0.00 H new ATOM 0 HD2 TYR T 3 -9.318 1.341 -0.246 1.00 0.00 H new ATOM 0 HE1 TYR T 3 -10.630 4.817 2.980 1.00 0.00 H new ATOM 0 HE2 TYR T 3 -9.795 3.620 -1.025 1.00 0.00 H new ATOM 0 HH TYR T 3 -9.694 6.171 0.544 1.00 0.00 H new ATOM 47 N HIS T 4 -7.196 -0.734 0.688 1.00 0.00 N ATOM 48 CA HIS T 4 -6.337 -0.833 -0.486 1.00 0.00 C ATOM 49 C HIS T 4 -6.903 -0.018 -1.644 1.00 0.00 C ATOM 50 O HIS T 4 -8.106 0.237 -1.707 1.00 0.00 O ATOM 51 CB HIS T 4 -6.177 -2.298 -0.904 1.00 0.00 C ATOM 52 CG HIS T 4 -6.029 -2.493 -2.381 1.00 0.00 C ATOM 53 ND1 HIS T 4 -7.084 -2.815 -3.208 1.00 0.00 N ATOM 54 CD2 HIS T 4 -4.939 -2.409 -3.183 1.00 0.00 C ATOM 55 CE1 HIS T 4 -6.651 -2.922 -4.452 1.00 0.00 C ATOM 56 NE2 HIS T 4 -5.353 -2.680 -4.464 1.00 0.00 N ATOM 0 H HIS T 4 -7.944 -1.427 0.721 1.00 0.00 H new ATOM 0 HA HIS T 4 -5.359 -0.428 -0.226 1.00 0.00 H new ATOM 0 HB2 HIS T 4 -5.304 -2.716 -0.403 1.00 0.00 H new ATOM 0 HB3 HIS T 4 -7.043 -2.861 -0.558 1.00 0.00 H new ATOM 0 HD2 HIS T 4 -3.932 -2.173 -2.872 1.00 0.00 H new ATOM 0 HE1 HIS T 4 -7.256 -3.166 -5.313 1.00 0.00 H new ATOM 0 HE2 HIS T 4 -4.755 -2.692 -5.290 1.00 0.00 H new ATOM 65 N ARG T 5 -6.028 0.389 -2.557 1.00 0.00 N ATOM 66 CA ARG T 5 -6.442 1.177 -3.711 1.00 0.00 C ATOM 67 C ARG T 5 -5.555 0.894 -4.920 1.00 0.00 C ATOM 68 O ARG T 5 -4.396 0.504 -4.775 1.00 0.00 O ATOM 69 CB ARG T 5 -6.399 2.666 -3.372 1.00 0.00 C ATOM 70 CG ARG T 5 -7.131 3.544 -4.373 1.00 0.00 C ATOM 71 CD ARG T 5 -8.637 3.366 -4.274 1.00 0.00 C ATOM 72 NE ARG T 5 -9.233 4.264 -3.290 1.00 0.00 N ATOM 73 CZ ARG T 5 -10.124 5.202 -3.594 1.00 0.00 C ATOM 74 NH1 ARG T 5 -10.524 5.360 -4.849 1.00 0.00 N ATOM 75 NH2 ARG T 5 -10.619 5.983 -2.643 1.00 0.00 N ATOM 0 H ARG T 5 -5.029 0.186 -2.520 1.00 0.00 H new ATOM 0 HA ARG T 5 -7.463 0.893 -3.964 1.00 0.00 H new ATOM 0 HB2 ARG T 5 -6.834 2.817 -2.384 1.00 0.00 H new ATOM 0 HB3 ARG T 5 -5.359 2.986 -3.314 1.00 0.00 H new ATOM 0 HG2 ARG T 5 -6.875 4.589 -4.198 1.00 0.00 H new ATOM 0 HG3 ARG T 5 -6.800 3.300 -5.383 1.00 0.00 H new ATOM 0 HD2 ARG T 5 -9.088 3.548 -5.250 1.00 0.00 H new ATOM 0 HD3 ARG T 5 -8.863 2.334 -4.006 1.00 0.00 H new ATOM 0 HE ARG T 5 -8.950 4.166 -2.315 1.00 0.00 H new ATOM 0 HH11 ARG T 5 -10.148 4.761 -5.584 1.00 0.00 H new ATOM 0 HH12 ARG T 5 -11.208 6.081 -5.079 1.00 0.00 H new ATOM 0 HH21 ARG T 5 -10.316 5.864 -1.676 1.00 0.00 H new ATOM 0 HH22 ARG T 5 -11.303 6.702 -2.878 1.00 0.00 H new ATOM 89 N GLU T 6 -6.108 1.098 -6.111 1.00 0.00 N ATOM 90 CA GLU T 6 -5.371 0.872 -7.349 1.00 0.00 C ATOM 91 C GLU T 6 -5.403 2.119 -8.228 1.00 0.00 C ATOM 92 O GLU T 6 -6.084 3.095 -7.913 1.00 0.00 O ATOM 93 CB GLU T 6 -5.957 -0.324 -8.107 1.00 0.00 C ATOM 94 CG GLU T 6 -5.424 -0.479 -9.522 1.00 0.00 C ATOM 95 CD GLU T 6 -5.997 -1.692 -10.230 1.00 0.00 C ATOM 96 OE1 GLU T 6 -5.753 -2.823 -9.760 1.00 0.00 O ATOM 97 OE2 GLU T 6 -6.690 -1.511 -11.252 1.00 0.00 O ATOM 0 H GLU T 6 -7.066 1.420 -6.245 1.00 0.00 H new ATOM 0 HA GLU T 6 -4.334 0.653 -7.096 1.00 0.00 H new ATOM 0 HB2 GLU T 6 -5.745 -1.235 -7.548 1.00 0.00 H new ATOM 0 HB3 GLU T 6 -7.041 -0.220 -8.147 1.00 0.00 H new ATOM 0 HG2 GLU T 6 -5.660 0.417 -10.096 1.00 0.00 H new ATOM 0 HG3 GLU T 6 -4.338 -0.561 -9.490 1.00 0.00 H new ATOM 104 N ALA T 7 -4.661 2.080 -9.328 1.00 0.00 N ATOM 105 CA ALA T 7 -4.604 3.207 -10.251 1.00 0.00 C ATOM 106 C ALA T 7 -5.787 3.195 -11.211 1.00 0.00 C ATOM 107 O ALA T 7 -6.331 2.136 -11.528 1.00 0.00 O ATOM 108 CB ALA T 7 -3.295 3.186 -11.027 1.00 0.00 C ATOM 0 H ALA T 7 -4.090 1.280 -9.603 1.00 0.00 H new ATOM 0 HA ALA T 7 -4.655 4.125 -9.666 1.00 0.00 H new ATOM 0 HB1 ALA T 7 -3.265 4.033 -11.713 1.00 0.00 H new ATOM 0 HB2 ALA T 7 -2.459 3.253 -10.331 1.00 0.00 H new ATOM 0 HB3 ALA T 7 -3.223 2.258 -11.594 1.00 0.00 H new ATOM 114 N ARG T 8 -6.181 4.378 -11.673 1.00 0.00 N ATOM 115 CA ARG T 8 -7.299 4.502 -12.600 1.00 0.00 C ATOM 116 C ARG T 8 -7.002 3.776 -13.907 1.00 0.00 C ATOM 117 O ARG T 8 -7.908 3.469 -14.680 1.00 0.00 O ATOM 118 CB ARG T 8 -7.597 5.977 -12.880 1.00 0.00 C ATOM 119 CG ARG T 8 -8.639 6.579 -11.950 1.00 0.00 C ATOM 120 CD ARG T 8 -10.030 6.033 -12.235 1.00 0.00 C ATOM 121 NE ARG T 8 -10.607 6.614 -13.444 1.00 0.00 N ATOM 122 CZ ARG T 8 -11.905 6.861 -13.595 1.00 0.00 C ATOM 123 NH1 ARG T 8 -12.754 6.581 -12.616 1.00 0.00 N ATOM 124 NH2 ARG T 8 -12.353 7.389 -14.725 1.00 0.00 N ATOM 0 H ARG T 8 -5.742 5.263 -11.420 1.00 0.00 H new ATOM 0 HA ARG T 8 -8.174 4.043 -12.139 1.00 0.00 H new ATOM 0 HB2 ARG T 8 -6.673 6.548 -12.793 1.00 0.00 H new ATOM 0 HB3 ARG T 8 -7.939 6.080 -13.910 1.00 0.00 H new ATOM 0 HG2 ARG T 8 -8.370 6.366 -10.915 1.00 0.00 H new ATOM 0 HG3 ARG T 8 -8.644 7.663 -12.062 1.00 0.00 H new ATOM 0 HD2 ARG T 8 -9.980 4.949 -12.342 1.00 0.00 H new ATOM 0 HD3 ARG T 8 -10.682 6.240 -11.386 1.00 0.00 H new ATOM 0 HE ARG T 8 -9.980 6.843 -14.215 1.00 0.00 H new ATOM 0 HH11 ARG T 8 -12.412 6.175 -11.745 1.00 0.00 H new ATOM 0 HH12 ARG T 8 -13.749 6.771 -12.734 1.00 0.00 H new ATOM 0 HH21 ARG T 8 -11.702 7.606 -15.480 1.00 0.00 H new ATOM 0 HH22 ARG T 8 -13.349 7.578 -14.840 1.00 0.00 H new ATOM 138 N SER T 9 -5.722 3.503 -14.145 1.00 0.00 N ATOM 139 CA SER T 9 -5.300 2.811 -15.357 1.00 0.00 C ATOM 140 C SER T 9 -5.076 1.327 -15.085 1.00 0.00 C ATOM 141 O SER T 9 -5.219 0.495 -15.981 1.00 0.00 O ATOM 142 CB SER T 9 -4.020 3.442 -15.908 1.00 0.00 C ATOM 143 OG SER T 9 -4.296 4.666 -16.566 1.00 0.00 O ATOM 0 H SER T 9 -4.960 3.751 -13.514 1.00 0.00 H new ATOM 0 HA SER T 9 -6.093 2.909 -16.099 1.00 0.00 H new ATOM 0 HB2 SER T 9 -3.316 3.614 -15.094 1.00 0.00 H new ATOM 0 HB3 SER T 9 -3.541 2.752 -16.603 1.00 0.00 H new ATOM 0 HG SER T 9 -3.461 5.049 -16.907 1.00 0.00 H new ATOM 149 N GLY T 10 -4.727 1.004 -13.844 1.00 0.00 N ATOM 150 CA GLY T 10 -4.492 -0.381 -13.478 1.00 0.00 C ATOM 151 C GLY T 10 -3.488 -0.519 -12.350 1.00 0.00 C ATOM 152 O GLY T 10 -2.799 0.439 -12.001 1.00 0.00 O ATOM 0 H GLY T 10 -4.603 1.675 -13.086 1.00 0.00 H new ATOM 0 HA2 GLY T 10 -5.435 -0.840 -13.180 1.00 0.00 H new ATOM 0 HA3 GLY T 10 -4.133 -0.928 -14.349 1.00 0.00 H new ATOM 156 N LYS T 11 -3.405 -1.717 -11.781 1.00 0.00 N ATOM 157 CA LYS T 11 -2.480 -1.987 -10.687 1.00 0.00 C ATOM 158 C LYS T 11 -1.038 -1.746 -11.120 1.00 0.00 C ATOM 159 O LYS T 11 -0.710 -1.844 -12.303 1.00 0.00 O ATOM 160 CB LYS T 11 -2.650 -3.428 -10.197 1.00 0.00 C ATOM 161 CG LYS T 11 -1.521 -3.899 -9.292 1.00 0.00 C ATOM 162 CD LYS T 11 -1.889 -5.185 -8.570 1.00 0.00 C ATOM 163 CE LYS T 11 -0.791 -6.229 -8.695 1.00 0.00 C ATOM 164 NZ LYS T 11 -1.289 -7.599 -8.389 1.00 0.00 N ATOM 0 H LYS T 11 -3.970 -2.519 -12.061 1.00 0.00 H new ATOM 0 HA LYS T 11 -2.709 -1.303 -9.870 1.00 0.00 H new ATOM 0 HB2 LYS T 11 -3.595 -3.511 -9.660 1.00 0.00 H new ATOM 0 HB3 LYS T 11 -2.714 -4.091 -11.059 1.00 0.00 H new ATOM 0 HG2 LYS T 11 -0.620 -4.058 -9.884 1.00 0.00 H new ATOM 0 HG3 LYS T 11 -1.290 -3.123 -8.562 1.00 0.00 H new ATOM 0 HD2 LYS T 11 -2.072 -4.972 -7.517 1.00 0.00 H new ATOM 0 HD3 LYS T 11 -2.818 -5.581 -8.981 1.00 0.00 H new ATOM 0 HE2 LYS T 11 -0.384 -6.208 -9.706 1.00 0.00 H new ATOM 0 HE3 LYS T 11 0.026 -5.980 -8.017 1.00 0.00 H new ATOM 0 HZ1 LYS T 11 -0.510 -8.281 -8.486 1.00 0.00 H new ATOM 0 HZ2 LYS T 11 -1.654 -7.626 -7.416 1.00 0.00 H new ATOM 0 HZ3 LYS T 11 -2.051 -7.848 -9.052 1.00 0.00 H new ATOM 178 N TYR T 12 -0.179 -1.430 -10.155 1.00 0.00 N ATOM 179 CA TYR T 12 1.228 -1.174 -10.436 1.00 0.00 C ATOM 180 C TYR T 12 1.380 -0.047 -11.450 1.00 0.00 C ATOM 181 O TYR T 12 2.099 -0.180 -12.442 1.00 0.00 O ATOM 182 CB TYR T 12 1.908 -2.443 -10.952 1.00 0.00 C ATOM 183 CG TYR T 12 2.179 -3.466 -9.871 1.00 0.00 C ATOM 184 CD1 TYR T 12 1.655 -3.308 -8.593 1.00 0.00 C ATOM 185 CD2 TYR T 12 2.959 -4.587 -10.127 1.00 0.00 C ATOM 186 CE1 TYR T 12 1.900 -4.238 -7.603 1.00 0.00 C ATOM 187 CE2 TYR T 12 3.208 -5.521 -9.139 1.00 0.00 C ATOM 188 CZ TYR T 12 2.677 -5.343 -7.880 1.00 0.00 C ATOM 189 OH TYR T 12 2.923 -6.271 -6.895 1.00 0.00 O ATOM 0 H TYR T 12 -0.434 -1.345 -9.171 1.00 0.00 H new ATOM 0 HA TYR T 12 1.711 -0.869 -9.507 1.00 0.00 H new ATOM 0 HB2 TYR T 12 1.280 -2.895 -11.720 1.00 0.00 H new ATOM 0 HB3 TYR T 12 2.850 -2.172 -11.429 1.00 0.00 H new ATOM 0 HD1 TYR T 12 1.046 -2.444 -8.371 1.00 0.00 H new ATOM 0 HD2 TYR T 12 3.377 -4.731 -11.112 1.00 0.00 H new ATOM 0 HE1 TYR T 12 1.485 -4.101 -6.615 1.00 0.00 H new ATOM 0 HE2 TYR T 12 3.817 -6.387 -9.353 1.00 0.00 H new ATOM 0 HH TYR T 12 3.486 -6.988 -7.254 1.00 0.00 H new ATOM 199 N LYS T 13 0.694 1.061 -11.196 1.00 0.00 N ATOM 200 CA LYS T 13 0.742 2.212 -12.080 1.00 0.00 C ATOM 201 C LYS T 13 0.728 3.507 -11.274 1.00 0.00 C ATOM 202 O LYS T 13 0.736 4.603 -11.836 1.00 0.00 O ATOM 203 CB LYS T 13 -0.450 2.178 -13.032 1.00 0.00 C ATOM 204 CG LYS T 13 -0.131 1.567 -14.387 1.00 0.00 C ATOM 205 CD LYS T 13 -0.898 2.251 -15.505 1.00 0.00 C ATOM 206 CE LYS T 13 -1.509 1.240 -16.462 1.00 0.00 C ATOM 207 NZ LYS T 13 -0.516 0.739 -17.451 1.00 0.00 N ATOM 0 H LYS T 13 0.095 1.184 -10.379 1.00 0.00 H new ATOM 0 HA LYS T 13 1.666 2.174 -12.656 1.00 0.00 H new ATOM 0 HB2 LYS T 13 -1.258 1.612 -12.569 1.00 0.00 H new ATOM 0 HB3 LYS T 13 -0.816 3.194 -13.178 1.00 0.00 H new ATOM 0 HG2 LYS T 13 0.939 1.645 -14.579 1.00 0.00 H new ATOM 0 HG3 LYS T 13 -0.376 0.505 -14.374 1.00 0.00 H new ATOM 0 HD2 LYS T 13 -1.686 2.873 -15.080 1.00 0.00 H new ATOM 0 HD3 LYS T 13 -0.229 2.914 -16.053 1.00 0.00 H new ATOM 0 HE2 LYS T 13 -1.911 0.401 -15.895 1.00 0.00 H new ATOM 0 HE3 LYS T 13 -2.346 1.699 -16.989 1.00 0.00 H new ATOM 0 HZ1 LYS T 13 -0.973 0.052 -18.084 1.00 0.00 H new ATOM 0 HZ2 LYS T 13 -0.151 1.536 -18.010 1.00 0.00 H new ATOM 0 HZ3 LYS T 13 0.270 0.278 -16.950 1.00 0.00 H new ATOM 221 N LEU T 14 0.701 3.369 -9.952 1.00 0.00 N ATOM 222 CA LEU T 14 0.678 4.520 -9.058 1.00 0.00 C ATOM 223 C LEU T 14 2.030 4.724 -8.385 1.00 0.00 C ATOM 224 O LEU T 14 2.633 3.777 -7.877 1.00 0.00 O ATOM 225 CB LEU T 14 -0.398 4.330 -7.989 1.00 0.00 C ATOM 226 CG LEU T 14 -1.804 4.778 -8.387 1.00 0.00 C ATOM 227 CD1 LEU T 14 -2.846 4.056 -7.546 1.00 0.00 C ATOM 228 CD2 LEU T 14 -1.947 6.284 -8.242 1.00 0.00 C ATOM 0 H LEU T 14 0.695 2.467 -9.475 1.00 0.00 H new ATOM 0 HA LEU T 14 0.453 5.403 -9.655 1.00 0.00 H new ATOM 0 HB2 LEU T 14 -0.434 3.275 -7.718 1.00 0.00 H new ATOM 0 HB3 LEU T 14 -0.099 4.879 -7.096 1.00 0.00 H new ATOM 0 HG LEU T 14 -1.966 4.521 -9.434 1.00 0.00 H new ATOM 0 HD11 LEU T 14 -3.843 4.385 -7.840 1.00 0.00 H new ATOM 0 HD12 LEU T 14 -2.758 2.981 -7.702 1.00 0.00 H new ATOM 0 HD13 LEU T 14 -2.685 4.284 -6.492 1.00 0.00 H new ATOM 0 HD21 LEU T 14 -2.955 6.583 -8.530 1.00 0.00 H new ATOM 0 HD22 LEU T 14 -1.766 6.569 -7.205 1.00 0.00 H new ATOM 0 HD23 LEU T 14 -1.223 6.782 -8.886 1.00 0.00 H new ATOM 240 N THR T 15 2.491 5.968 -8.369 1.00 0.00 N ATOM 241 CA THR T 15 3.761 6.305 -7.740 1.00 0.00 C ATOM 242 C THR T 15 3.518 6.985 -6.400 1.00 0.00 C ATOM 243 O THR T 15 2.491 7.630 -6.208 1.00 0.00 O ATOM 244 CB THR T 15 4.610 7.232 -8.630 1.00 0.00 C ATOM 245 OG1 THR T 15 4.265 8.600 -8.382 1.00 0.00 O ATOM 246 CG2 THR T 15 4.406 6.912 -10.103 1.00 0.00 C ATOM 0 H THR T 15 2.003 6.761 -8.785 1.00 0.00 H new ATOM 0 HA THR T 15 4.308 5.374 -7.593 1.00 0.00 H new ATOM 0 HB THR T 15 5.659 7.070 -8.384 1.00 0.00 H new ATOM 0 HG1 THR T 15 4.810 9.183 -8.950 1.00 0.00 H new ATOM 0 HG21 THR T 15 5.017 7.581 -10.709 1.00 0.00 H new ATOM 0 HG22 THR T 15 4.699 5.880 -10.295 1.00 0.00 H new ATOM 0 HG23 THR T 15 3.356 7.045 -10.362 1.00 0.00 H new ATOM 254 N TYR T 16 4.458 6.837 -5.474 1.00 0.00 N ATOM 255 CA TYR T 16 4.321 7.442 -4.154 1.00 0.00 C ATOM 256 C TYR T 16 3.593 8.780 -4.244 1.00 0.00 C ATOM 257 O TYR T 16 2.703 9.069 -3.445 1.00 0.00 O ATOM 258 CB TYR T 16 5.692 7.642 -3.509 1.00 0.00 C ATOM 259 CG TYR T 16 5.633 8.358 -2.179 1.00 0.00 C ATOM 260 CD1 TYR T 16 5.167 7.713 -1.039 1.00 0.00 C ATOM 261 CD2 TYR T 16 6.040 9.682 -2.064 1.00 0.00 C ATOM 262 CE1 TYR T 16 5.110 8.368 0.177 1.00 0.00 C ATOM 263 CE2 TYR T 16 5.986 10.342 -0.852 1.00 0.00 C ATOM 264 CZ TYR T 16 5.520 9.680 0.265 1.00 0.00 C ATOM 265 OH TYR T 16 5.464 10.335 1.474 1.00 0.00 O ATOM 0 H TYR T 16 5.318 6.307 -5.611 1.00 0.00 H new ATOM 0 HA TYR T 16 3.734 6.764 -3.535 1.00 0.00 H new ATOM 0 HB2 TYR T 16 6.164 6.670 -3.369 1.00 0.00 H new ATOM 0 HB3 TYR T 16 6.326 8.209 -4.190 1.00 0.00 H new ATOM 0 HD1 TYR T 16 4.845 6.684 -1.104 1.00 0.00 H new ATOM 0 HD2 TYR T 16 6.404 10.203 -2.937 1.00 0.00 H new ATOM 0 HE1 TYR T 16 4.746 7.853 1.054 1.00 0.00 H new ATOM 0 HE2 TYR T 16 6.307 11.371 -0.779 1.00 0.00 H new ATOM 0 HH TYR T 16 5.790 11.253 1.364 1.00 0.00 H new ATOM 275 N ALA T 17 3.976 9.589 -5.227 1.00 0.00 N ATOM 276 CA ALA T 17 3.359 10.896 -5.423 1.00 0.00 C ATOM 277 C ALA T 17 1.919 10.758 -5.910 1.00 0.00 C ATOM 278 O ALA T 17 1.021 11.432 -5.408 1.00 0.00 O ATOM 279 CB ALA T 17 4.178 11.724 -6.402 1.00 0.00 C ATOM 0 H ALA T 17 4.709 9.363 -5.899 1.00 0.00 H new ATOM 0 HA ALA T 17 3.338 11.409 -4.462 1.00 0.00 H new ATOM 0 HB1 ALA T 17 3.706 12.697 -6.539 1.00 0.00 H new ATOM 0 HB2 ALA T 17 5.185 11.861 -6.009 1.00 0.00 H new ATOM 0 HB3 ALA T 17 4.230 11.208 -7.361 1.00 0.00 H new ATOM 285 N GLU T 18 1.701 9.873 -6.880 1.00 0.00 N ATOM 286 CA GLU T 18 0.368 9.645 -7.414 1.00 0.00 C ATOM 287 C GLU T 18 -0.516 9.022 -6.346 1.00 0.00 C ATOM 288 O GLU T 18 -1.584 9.540 -6.018 1.00 0.00 O ATOM 289 CB GLU T 18 0.445 8.722 -8.628 1.00 0.00 C ATOM 290 CG GLU T 18 1.586 9.060 -9.572 1.00 0.00 C ATOM 291 CD GLU T 18 1.436 8.399 -10.929 1.00 0.00 C ATOM 292 OE1 GLU T 18 1.435 7.152 -10.983 1.00 0.00 O ATOM 293 OE2 GLU T 18 1.319 9.130 -11.935 1.00 0.00 O ATOM 0 H GLU T 18 2.431 9.305 -7.309 1.00 0.00 H new ATOM 0 HA GLU T 18 -0.061 10.599 -7.720 1.00 0.00 H new ATOM 0 HB2 GLU T 18 0.559 7.693 -8.286 1.00 0.00 H new ATOM 0 HB3 GLU T 18 -0.497 8.774 -9.175 1.00 0.00 H new ATOM 0 HG2 GLU T 18 1.637 10.141 -9.702 1.00 0.00 H new ATOM 0 HG3 GLU T 18 2.529 8.748 -9.123 1.00 0.00 H new ATOM 300 N ALA T 19 -0.044 7.909 -5.803 1.00 0.00 N ATOM 301 CA ALA T 19 -0.758 7.195 -4.757 1.00 0.00 C ATOM 302 C ALA T 19 -1.312 8.162 -3.718 1.00 0.00 C ATOM 303 O ALA T 19 -2.456 8.034 -3.280 1.00 0.00 O ATOM 304 CB ALA T 19 0.176 6.192 -4.100 1.00 0.00 C ATOM 0 H ALA T 19 0.840 7.478 -6.074 1.00 0.00 H new ATOM 0 HA ALA T 19 -1.600 6.667 -5.205 1.00 0.00 H new ATOM 0 HB1 ALA T 19 -0.359 5.656 -3.316 1.00 0.00 H new ATOM 0 HB2 ALA T 19 0.531 5.482 -4.847 1.00 0.00 H new ATOM 0 HB3 ALA T 19 1.027 6.717 -3.666 1.00 0.00 H new ATOM 310 N LYS T 20 -0.491 9.133 -3.331 1.00 0.00 N ATOM 311 CA LYS T 20 -0.888 10.131 -2.347 1.00 0.00 C ATOM 312 C LYS T 20 -1.986 11.031 -2.899 1.00 0.00 C ATOM 313 O LYS T 20 -2.902 11.423 -2.178 1.00 0.00 O ATOM 314 CB LYS T 20 0.323 10.973 -1.943 1.00 0.00 C ATOM 315 CG LYS T 20 0.161 11.671 -0.603 1.00 0.00 C ATOM 316 CD LYS T 20 1.022 12.921 -0.516 1.00 0.00 C ATOM 317 CE LYS T 20 0.499 13.889 0.532 1.00 0.00 C ATOM 318 NZ LYS T 20 0.517 13.294 1.898 1.00 0.00 N ATOM 0 H LYS T 20 0.458 9.249 -3.687 1.00 0.00 H new ATOM 0 HA LYS T 20 -1.277 9.614 -1.470 1.00 0.00 H new ATOM 0 HB2 LYS T 20 1.204 10.332 -1.905 1.00 0.00 H new ATOM 0 HB3 LYS T 20 0.507 11.722 -2.713 1.00 0.00 H new ATOM 0 HG2 LYS T 20 -0.885 11.938 -0.455 1.00 0.00 H new ATOM 0 HG3 LYS T 20 0.431 10.985 0.200 1.00 0.00 H new ATOM 0 HD2 LYS T 20 2.047 12.641 -0.274 1.00 0.00 H new ATOM 0 HD3 LYS T 20 1.047 13.414 -1.488 1.00 0.00 H new ATOM 0 HE2 LYS T 20 1.105 14.795 0.523 1.00 0.00 H new ATOM 0 HE3 LYS T 20 -0.519 14.183 0.278 1.00 0.00 H new ATOM 0 HZ1 LYS T 20 0.201 14.003 2.590 1.00 0.00 H new ATOM 0 HZ2 LYS T 20 -0.121 12.473 1.927 1.00 0.00 H new ATOM 0 HZ3 LYS T 20 1.484 12.990 2.131 1.00 0.00 H new ATOM 332 N ALA T 21 -1.886 11.355 -4.182 1.00 0.00 N ATOM 333 CA ALA T 21 -2.871 12.210 -4.831 1.00 0.00 C ATOM 334 C ALA T 21 -4.251 11.563 -4.825 1.00 0.00 C ATOM 335 O ALA T 21 -5.266 12.248 -4.715 1.00 0.00 O ATOM 336 CB ALA T 21 -2.440 12.524 -6.255 1.00 0.00 C ATOM 0 H ALA T 21 -1.133 11.039 -4.793 1.00 0.00 H new ATOM 0 HA ALA T 21 -2.934 13.141 -4.268 1.00 0.00 H new ATOM 0 HB1 ALA T 21 -3.185 13.164 -6.728 1.00 0.00 H new ATOM 0 HB2 ALA T 21 -1.479 13.037 -6.239 1.00 0.00 H new ATOM 0 HB3 ALA T 21 -2.347 11.596 -6.820 1.00 0.00 H new ATOM 342 N VAL T 22 -4.282 10.240 -4.946 1.00 0.00 N ATOM 343 CA VAL T 22 -5.541 9.501 -4.957 1.00 0.00 C ATOM 344 C VAL T 22 -6.206 9.522 -3.588 1.00 0.00 C ATOM 345 O VAL T 22 -7.370 9.897 -3.459 1.00 0.00 O ATOM 346 CB VAL T 22 -5.331 8.040 -5.399 1.00 0.00 C ATOM 347 CG1 VAL T 22 -6.471 7.161 -4.904 1.00 0.00 C ATOM 348 CG2 VAL T 22 -5.196 7.951 -6.911 1.00 0.00 C ATOM 0 H VAL T 22 -3.450 9.657 -5.038 1.00 0.00 H new ATOM 0 HA VAL T 22 -6.192 9.998 -5.676 1.00 0.00 H new ATOM 0 HB VAL T 22 -4.405 7.677 -4.954 1.00 0.00 H new ATOM 0 HG11 VAL T 22 -6.304 6.133 -5.226 1.00 0.00 H new ATOM 0 HG12 VAL T 22 -6.512 7.198 -3.815 1.00 0.00 H new ATOM 0 HG13 VAL T 22 -7.414 7.522 -5.315 1.00 0.00 H new ATOM 0 HG21 VAL T 22 -5.048 6.911 -7.203 1.00 0.00 H new ATOM 0 HG22 VAL T 22 -6.102 8.334 -7.380 1.00 0.00 H new ATOM 0 HG23 VAL T 22 -4.341 8.544 -7.235 1.00 0.00 H new ATOM 358 N CYS T 23 -5.460 9.125 -2.565 1.00 0.00 N ATOM 359 CA CYS T 23 -5.986 9.111 -1.208 1.00 0.00 C ATOM 360 C CYS T 23 -6.308 10.530 -0.761 1.00 0.00 C ATOM 361 O CYS T 23 -7.422 10.818 -0.325 1.00 0.00 O ATOM 362 CB CYS T 23 -4.983 8.471 -0.248 1.00 0.00 C ATOM 363 SG CYS T 23 -5.709 7.940 1.337 1.00 0.00 S ATOM 0 H CYS T 23 -4.494 8.810 -2.649 1.00 0.00 H new ATOM 0 HA CYS T 23 -6.900 8.518 -1.196 1.00 0.00 H new ATOM 0 HB2 CYS T 23 -4.529 7.608 -0.735 1.00 0.00 H new ATOM 0 HB3 CYS T 23 -4.182 9.182 -0.049 1.00 0.00 H new ATOM 368 N GLU T 24 -5.327 11.418 -0.890 1.00 0.00 N ATOM 369 CA GLU T 24 -5.508 12.814 -0.515 1.00 0.00 C ATOM 370 C GLU T 24 -6.590 13.459 -1.375 1.00 0.00 C ATOM 371 O GLU T 24 -7.176 14.475 -1.000 1.00 0.00 O ATOM 372 CB GLU T 24 -4.193 13.582 -0.665 1.00 0.00 C ATOM 373 CG GLU T 24 -4.309 15.062 -0.337 1.00 0.00 C ATOM 374 CD GLU T 24 -3.031 15.825 -0.627 1.00 0.00 C ATOM 375 OE1 GLU T 24 -2.086 15.730 0.185 1.00 0.00 O ATOM 376 OE2 GLU T 24 -2.975 16.517 -1.665 1.00 0.00 O ATOM 0 H GLU T 24 -4.400 11.195 -1.251 1.00 0.00 H new ATOM 0 HA GLU T 24 -5.819 12.852 0.529 1.00 0.00 H new ATOM 0 HB2 GLU T 24 -3.443 13.132 -0.014 1.00 0.00 H new ATOM 0 HB3 GLU T 24 -3.833 13.473 -1.688 1.00 0.00 H new ATOM 0 HG2 GLU T 24 -5.126 15.495 -0.914 1.00 0.00 H new ATOM 0 HG3 GLU T 24 -4.566 15.178 0.716 1.00 0.00 H new ATOM 383 N PHE T 25 -6.850 12.854 -2.530 1.00 0.00 N ATOM 384 CA PHE T 25 -7.865 13.357 -3.451 1.00 0.00 C ATOM 385 C PHE T 25 -9.192 13.560 -2.731 1.00 0.00 C ATOM 386 O PHE T 25 -9.821 14.612 -2.847 1.00 0.00 O ATOM 387 CB PHE T 25 -8.048 12.383 -4.616 1.00 0.00 C ATOM 388 CG PHE T 25 -8.131 13.055 -5.957 1.00 0.00 C ATOM 389 CD1 PHE T 25 -6.997 13.583 -6.550 1.00 0.00 C ATOM 390 CD2 PHE T 25 -9.342 13.155 -6.623 1.00 0.00 C ATOM 391 CE1 PHE T 25 -7.067 14.199 -7.784 1.00 0.00 C ATOM 392 CE2 PHE T 25 -9.418 13.770 -7.858 1.00 0.00 C ATOM 393 CZ PHE T 25 -8.280 14.292 -8.440 1.00 0.00 C ATOM 0 H PHE T 25 -6.371 12.013 -2.851 1.00 0.00 H new ATOM 0 HA PHE T 25 -7.530 14.319 -3.839 1.00 0.00 H new ATOM 0 HB2 PHE T 25 -7.216 11.679 -4.623 1.00 0.00 H new ATOM 0 HB3 PHE T 25 -8.956 11.802 -4.453 1.00 0.00 H new ATOM 0 HD1 PHE T 25 -6.047 13.512 -6.042 1.00 0.00 H new ATOM 0 HD2 PHE T 25 -10.235 12.748 -6.172 1.00 0.00 H new ATOM 0 HE1 PHE T 25 -6.175 14.608 -8.236 1.00 0.00 H new ATOM 0 HE2 PHE T 25 -10.367 13.842 -8.368 1.00 0.00 H new ATOM 0 HZ PHE T 25 -8.338 14.772 -9.406 1.00 0.00 H new ATOM 403 N GLU T 26 -9.608 12.543 -1.987 1.00 0.00 N ATOM 404 CA GLU T 26 -10.860 12.599 -1.242 1.00 0.00 C ATOM 405 C GLU T 26 -10.593 12.774 0.249 1.00 0.00 C ATOM 406 O GLU T 26 -11.103 12.018 1.076 1.00 0.00 O ATOM 407 CB GLU T 26 -11.675 11.331 -1.485 1.00 0.00 C ATOM 408 CG GLU T 26 -11.793 10.967 -2.953 1.00 0.00 C ATOM 409 CD GLU T 26 -12.697 9.772 -3.188 1.00 0.00 C ATOM 410 OE1 GLU T 26 -12.187 8.632 -3.176 1.00 0.00 O ATOM 411 OE2 GLU T 26 -13.913 9.977 -3.383 1.00 0.00 O ATOM 0 H GLU T 26 -9.095 11.667 -1.883 1.00 0.00 H new ATOM 0 HA GLU T 26 -11.430 13.459 -1.593 1.00 0.00 H new ATOM 0 HB2 GLU T 26 -11.214 10.502 -0.948 1.00 0.00 H new ATOM 0 HB3 GLU T 26 -12.674 11.464 -1.069 1.00 0.00 H new ATOM 0 HG2 GLU T 26 -12.179 11.824 -3.506 1.00 0.00 H new ATOM 0 HG3 GLU T 26 -10.801 10.751 -3.351 1.00 0.00 H new ATOM 418 N GLY T 27 -9.793 13.780 0.578 1.00 0.00 N ATOM 419 CA GLY T 27 -9.468 14.050 1.964 1.00 0.00 C ATOM 420 C GLY T 27 -8.923 12.827 2.674 1.00 0.00 C ATOM 421 O GLY T 27 -9.226 12.592 3.844 1.00 0.00 O ATOM 0 H GLY T 27 -9.362 14.416 -0.093 1.00 0.00 H new ATOM 0 HA2 GLY T 27 -8.733 14.854 2.013 1.00 0.00 H new ATOM 0 HA3 GLY T 27 -10.360 14.401 2.483 1.00 0.00 H new ATOM 425 N GLY T 28 -8.119 12.045 1.963 1.00 0.00 N ATOM 426 CA GLY T 28 -7.541 10.848 2.544 1.00 0.00 C ATOM 427 C GLY T 28 -6.045 10.986 2.743 1.00 0.00 C ATOM 428 O GLY T 28 -5.434 11.943 2.265 1.00 0.00 O ATOM 0 H GLY T 28 -7.857 12.219 0.993 1.00 0.00 H new ATOM 0 HA2 GLY T 28 -8.018 10.642 3.502 1.00 0.00 H new ATOM 0 HA3 GLY T 28 -7.745 9.995 1.897 1.00 0.00 H new ATOM 432 N HIS T 29 -5.454 10.034 3.457 1.00 0.00 N ATOM 433 CA HIS T 29 -4.027 10.056 3.726 1.00 0.00 C ATOM 434 C HIS T 29 -3.406 8.680 3.523 1.00 0.00 C ATOM 435 O HIS T 29 -3.991 7.661 3.890 1.00 0.00 O ATOM 436 CB HIS T 29 -3.768 10.531 5.152 1.00 0.00 C ATOM 437 CG HIS T 29 -4.987 10.533 6.020 1.00 0.00 C ATOM 438 ND1 HIS T 29 -6.190 11.089 5.635 1.00 0.00 N ATOM 439 CD2 HIS T 29 -5.183 10.047 7.267 1.00 0.00 C ATOM 440 CE1 HIS T 29 -7.071 10.945 6.609 1.00 0.00 C ATOM 441 NE2 HIS T 29 -6.485 10.316 7.610 1.00 0.00 N ATOM 0 H HIS T 29 -5.946 9.236 3.860 1.00 0.00 H new ATOM 0 HA HIS T 29 -3.565 10.749 3.023 1.00 0.00 H new ATOM 0 HB2 HIS T 29 -3.011 9.891 5.606 1.00 0.00 H new ATOM 0 HB3 HIS T 29 -3.355 11.539 5.120 1.00 0.00 H new ATOM 0 HD2 HIS T 29 -4.451 9.541 7.879 1.00 0.00 H new ATOM 0 HE1 HIS T 29 -8.096 11.284 6.589 1.00 0.00 H new ATOM 0 HE2 HIS T 29 -6.928 10.070 8.495 1.00 0.00 H new ATOM 450 N LEU T 30 -2.214 8.662 2.939 1.00 0.00 N ATOM 451 CA LEU T 30 -1.503 7.421 2.686 1.00 0.00 C ATOM 452 C LEU T 30 -1.418 6.564 3.942 1.00 0.00 C ATOM 453 O LEU T 30 -1.174 7.070 5.038 1.00 0.00 O ATOM 454 CB LEU T 30 -0.098 7.723 2.176 1.00 0.00 C ATOM 455 CG LEU T 30 0.242 7.098 0.829 1.00 0.00 C ATOM 456 CD1 LEU T 30 1.503 7.726 0.253 1.00 0.00 C ATOM 457 CD2 LEU T 30 0.406 5.593 0.977 1.00 0.00 C ATOM 0 H LEU T 30 -1.720 9.499 2.631 1.00 0.00 H new ATOM 0 HA LEU T 30 -2.057 6.864 1.931 1.00 0.00 H new ATOM 0 HB2 LEU T 30 0.021 8.804 2.099 1.00 0.00 H new ATOM 0 HB3 LEU T 30 0.624 7.375 2.915 1.00 0.00 H new ATOM 0 HG LEU T 30 -0.577 7.289 0.136 1.00 0.00 H new ATOM 0 HD11 LEU T 30 1.731 7.267 -0.709 1.00 0.00 H new ATOM 0 HD12 LEU T 30 1.347 8.796 0.117 1.00 0.00 H new ATOM 0 HD13 LEU T 30 2.335 7.565 0.938 1.00 0.00 H new ATOM 0 HD21 LEU T 30 0.649 5.156 0.008 1.00 0.00 H new ATOM 0 HD22 LEU T 30 1.210 5.382 1.682 1.00 0.00 H new ATOM 0 HD23 LEU T 30 -0.523 5.160 1.347 1.00 0.00 H new ATOM 469 N ALA T 31 -1.606 5.261 3.772 1.00 0.00 N ATOM 470 CA ALA T 31 -1.537 4.330 4.887 1.00 0.00 C ATOM 471 C ALA T 31 -0.090 3.937 5.160 1.00 0.00 C ATOM 472 O ALA T 31 0.747 3.956 4.258 1.00 0.00 O ATOM 473 CB ALA T 31 -2.381 3.096 4.604 1.00 0.00 C ATOM 0 H ALA T 31 -1.807 4.827 2.871 1.00 0.00 H new ATOM 0 HA ALA T 31 -1.935 4.822 5.774 1.00 0.00 H new ATOM 0 HB1 ALA T 31 -2.318 2.410 5.449 1.00 0.00 H new ATOM 0 HB2 ALA T 31 -3.419 3.392 4.454 1.00 0.00 H new ATOM 0 HB3 ALA T 31 -2.012 2.601 3.706 1.00 0.00 H new ATOM 479 N THR T 32 0.204 3.592 6.407 1.00 0.00 N ATOM 480 CA THR T 32 1.557 3.204 6.791 1.00 0.00 C ATOM 481 C THR T 32 1.657 1.709 7.051 1.00 0.00 C ATOM 482 O THR T 32 0.718 0.956 6.798 1.00 0.00 O ATOM 483 CB THR T 32 2.017 3.946 8.057 1.00 0.00 C ATOM 484 OG1 THR T 32 1.258 3.500 9.189 1.00 0.00 O ATOM 485 CG2 THR T 32 1.861 5.449 7.892 1.00 0.00 C ATOM 0 H THR T 32 -0.474 3.573 7.169 1.00 0.00 H new ATOM 0 HA THR T 32 2.201 3.473 5.954 1.00 0.00 H new ATOM 0 HB THR T 32 3.072 3.725 8.218 1.00 0.00 H new ATOM 0 HG1 THR T 32 1.659 3.852 10.011 1.00 0.00 H new ATOM 0 HG21 THR T 32 2.193 5.951 8.801 1.00 0.00 H new ATOM 0 HG22 THR T 32 2.464 5.787 7.049 1.00 0.00 H new ATOM 0 HG23 THR T 32 0.814 5.688 7.707 1.00 0.00 H new ATOM 493 N TYR T 33 2.804 1.294 7.577 1.00 0.00 N ATOM 494 CA TYR T 33 3.037 -0.108 7.897 1.00 0.00 C ATOM 495 C TYR T 33 2.196 -0.515 9.095 1.00 0.00 C ATOM 496 O TYR T 33 1.261 -1.305 8.976 1.00 0.00 O ATOM 497 CB TYR T 33 4.516 -0.346 8.201 1.00 0.00 C ATOM 498 CG TYR T 33 4.829 -1.733 8.717 1.00 0.00 C ATOM 499 CD1 TYR T 33 4.661 -2.853 7.911 1.00 0.00 C ATOM 500 CD2 TYR T 33 5.296 -1.921 10.012 1.00 0.00 C ATOM 501 CE1 TYR T 33 4.948 -4.119 8.382 1.00 0.00 C ATOM 502 CE2 TYR T 33 5.586 -3.185 10.489 1.00 0.00 C ATOM 503 CZ TYR T 33 5.411 -4.280 9.671 1.00 0.00 C ATOM 504 OH TYR T 33 5.699 -5.541 10.143 1.00 0.00 O ATOM 0 H TYR T 33 3.588 1.910 7.791 1.00 0.00 H new ATOM 0 HA TYR T 33 2.752 -0.712 7.036 1.00 0.00 H new ATOM 0 HB2 TYR T 33 5.095 -0.169 7.294 1.00 0.00 H new ATOM 0 HB3 TYR T 33 4.846 0.386 8.938 1.00 0.00 H new ATOM 0 HD1 TYR T 33 4.300 -2.731 6.900 1.00 0.00 H new ATOM 0 HD2 TYR T 33 5.435 -1.065 10.656 1.00 0.00 H new ATOM 0 HE1 TYR T 33 4.810 -4.979 7.744 1.00 0.00 H new ATOM 0 HE2 TYR T 33 5.948 -3.314 11.498 1.00 0.00 H new ATOM 0 HH TYR T 33 6.015 -5.480 11.069 1.00 0.00 H new ATOM 514 N LYS T 34 2.541 0.042 10.247 1.00 0.00 N ATOM 515 CA LYS T 34 1.824 -0.245 11.481 1.00 0.00 C ATOM 516 C LYS T 34 0.319 -0.159 11.258 1.00 0.00 C ATOM 517 O LYS T 34 -0.440 -0.983 11.768 1.00 0.00 O ATOM 518 CB LYS T 34 2.247 0.728 12.584 1.00 0.00 C ATOM 519 CG LYS T 34 3.646 0.485 13.126 1.00 0.00 C ATOM 520 CD LYS T 34 3.614 0.077 14.590 1.00 0.00 C ATOM 521 CE LYS T 34 4.111 -1.346 14.784 1.00 0.00 C ATOM 522 NZ LYS T 34 4.351 -1.660 16.219 1.00 0.00 N ATOM 0 H LYS T 34 3.315 0.697 10.353 1.00 0.00 H new ATOM 0 HA LYS T 34 2.073 -1.259 11.793 1.00 0.00 H new ATOM 0 HB2 LYS T 34 2.191 1.745 12.197 1.00 0.00 H new ATOM 0 HB3 LYS T 34 1.534 0.660 13.406 1.00 0.00 H new ATOM 0 HG2 LYS T 34 4.134 -0.295 12.541 1.00 0.00 H new ATOM 0 HG3 LYS T 34 4.243 1.390 13.012 1.00 0.00 H new ATOM 0 HD2 LYS T 34 4.231 0.761 15.173 1.00 0.00 H new ATOM 0 HD3 LYS T 34 2.596 0.163 14.970 1.00 0.00 H new ATOM 0 HE2 LYS T 34 3.380 -2.044 14.377 1.00 0.00 H new ATOM 0 HE3 LYS T 34 5.034 -1.488 14.222 1.00 0.00 H new ATOM 0 HZ1 LYS T 34 4.689 -2.640 16.308 1.00 0.00 H new ATOM 0 HZ2 LYS T 34 5.067 -1.010 16.601 1.00 0.00 H new ATOM 0 HZ3 LYS T 34 3.464 -1.550 16.751 1.00 0.00 H new ATOM 536 N GLN T 35 -0.107 0.837 10.486 1.00 0.00 N ATOM 537 CA GLN T 35 -1.518 1.017 10.191 1.00 0.00 C ATOM 538 C GLN T 35 -2.034 -0.144 9.352 1.00 0.00 C ATOM 539 O GLN T 35 -3.004 -0.809 9.719 1.00 0.00 O ATOM 540 CB GLN T 35 -1.739 2.339 9.461 1.00 0.00 C ATOM 541 CG GLN T 35 -1.444 3.561 10.315 1.00 0.00 C ATOM 542 CD GLN T 35 -1.699 4.863 9.583 1.00 0.00 C ATOM 543 OE1 GLN T 35 -1.924 4.874 8.372 1.00 0.00 O ATOM 544 NE2 GLN T 35 -1.662 5.970 10.315 1.00 0.00 N ATOM 0 H GLN T 35 0.507 1.529 10.056 1.00 0.00 H new ATOM 0 HA GLN T 35 -2.072 1.040 11.130 1.00 0.00 H new ATOM 0 HB2 GLN T 35 -1.107 2.365 8.574 1.00 0.00 H new ATOM 0 HB3 GLN T 35 -2.772 2.387 9.118 1.00 0.00 H new ATOM 0 HG2 GLN T 35 -2.060 3.528 11.214 1.00 0.00 H new ATOM 0 HG3 GLN T 35 -0.404 3.529 10.640 1.00 0.00 H new ATOM 0 HE21 GLN T 35 -1.472 5.914 11.316 1.00 0.00 H new ATOM 0 HE22 GLN T 35 -1.824 6.877 9.877 1.00 0.00 H new ATOM 553 N LEU T 36 -1.366 -0.396 8.231 1.00 0.00 N ATOM 554 CA LEU T 36 -1.750 -1.493 7.356 1.00 0.00 C ATOM 555 C LEU T 36 -1.697 -2.806 8.123 1.00 0.00 C ATOM 556 O LEU T 36 -2.318 -3.794 7.734 1.00 0.00 O ATOM 557 CB LEU T 36 -0.829 -1.556 6.136 1.00 0.00 C ATOM 558 CG LEU T 36 -1.540 -1.700 4.788 1.00 0.00 C ATOM 559 CD1 LEU T 36 -2.051 -3.121 4.604 1.00 0.00 C ATOM 560 CD2 LEU T 36 -2.681 -0.703 4.679 1.00 0.00 C ATOM 0 H LEU T 36 -0.561 0.142 7.910 1.00 0.00 H new ATOM 0 HA LEU T 36 -2.769 -1.323 7.008 1.00 0.00 H new ATOM 0 HB2 LEU T 36 -0.221 -0.652 6.113 1.00 0.00 H new ATOM 0 HB3 LEU T 36 -0.146 -2.396 6.260 1.00 0.00 H new ATOM 0 HG LEU T 36 -0.823 -1.488 3.995 1.00 0.00 H new ATOM 0 HD11 LEU T 36 -2.554 -3.205 3.640 1.00 0.00 H new ATOM 0 HD12 LEU T 36 -1.212 -3.816 4.638 1.00 0.00 H new ATOM 0 HD13 LEU T 36 -2.754 -3.361 5.402 1.00 0.00 H new ATOM 0 HD21 LEU T 36 -3.175 -0.820 3.714 1.00 0.00 H new ATOM 0 HD22 LEU T 36 -3.399 -0.883 5.479 1.00 0.00 H new ATOM 0 HD23 LEU T 36 -2.288 0.310 4.765 1.00 0.00 H new ATOM 572 N GLU T 37 -0.957 -2.796 9.228 1.00 0.00 N ATOM 573 CA GLU T 37 -0.824 -3.974 10.074 1.00 0.00 C ATOM 574 C GLU T 37 -2.117 -4.223 10.832 1.00 0.00 C ATOM 575 O GLU T 37 -2.764 -5.257 10.661 1.00 0.00 O ATOM 576 CB GLU T 37 0.328 -3.790 11.061 1.00 0.00 C ATOM 577 CG GLU T 37 0.630 -5.037 11.873 1.00 0.00 C ATOM 578 CD GLU T 37 1.616 -5.960 11.183 1.00 0.00 C ATOM 579 OE1 GLU T 37 1.480 -6.165 9.958 1.00 0.00 O ATOM 580 OE2 GLU T 37 2.523 -6.478 11.867 1.00 0.00 O ATOM 0 H GLU T 37 -0.439 -1.981 9.558 1.00 0.00 H new ATOM 0 HA GLU T 37 -0.612 -4.835 9.440 1.00 0.00 H new ATOM 0 HB2 GLU T 37 1.223 -3.497 10.513 1.00 0.00 H new ATOM 0 HB3 GLU T 37 0.088 -2.972 11.740 1.00 0.00 H new ATOM 0 HG2 GLU T 37 1.030 -4.745 12.844 1.00 0.00 H new ATOM 0 HG3 GLU T 37 -0.298 -5.578 12.060 1.00 0.00 H new ATOM 587 N ALA T 38 -2.488 -3.263 11.668 1.00 0.00 N ATOM 588 CA ALA T 38 -3.707 -3.366 12.454 1.00 0.00 C ATOM 589 C ALA T 38 -4.918 -3.548 11.550 1.00 0.00 C ATOM 590 O ALA T 38 -5.989 -3.953 12.001 1.00 0.00 O ATOM 591 CB ALA T 38 -3.878 -2.138 13.336 1.00 0.00 C ATOM 0 H ALA T 38 -1.960 -2.403 11.819 1.00 0.00 H new ATOM 0 HA ALA T 38 -3.626 -4.243 13.096 1.00 0.00 H new ATOM 0 HB1 ALA T 38 -4.795 -2.232 13.917 1.00 0.00 H new ATOM 0 HB2 ALA T 38 -3.027 -2.054 14.012 1.00 0.00 H new ATOM 0 HB3 ALA T 38 -3.934 -1.246 12.711 1.00 0.00 H new ATOM 597 N ALA T 39 -4.731 -3.262 10.266 1.00 0.00 N ATOM 598 CA ALA T 39 -5.798 -3.410 9.286 1.00 0.00 C ATOM 599 C ALA T 39 -5.702 -4.773 8.625 1.00 0.00 C ATOM 600 O ALA T 39 -6.700 -5.353 8.203 1.00 0.00 O ATOM 601 CB ALA T 39 -5.714 -2.308 8.242 1.00 0.00 C ATOM 0 H ALA T 39 -3.849 -2.926 9.880 1.00 0.00 H new ATOM 0 HA ALA T 39 -6.759 -3.329 9.793 1.00 0.00 H new ATOM 0 HB1 ALA T 39 -6.518 -2.432 7.516 1.00 0.00 H new ATOM 0 HB2 ALA T 39 -5.811 -1.338 8.729 1.00 0.00 H new ATOM 0 HB3 ALA T 39 -4.753 -2.363 7.731 1.00 0.00 H new ATOM 607 N ARG T 40 -4.480 -5.277 8.554 1.00 0.00 N ATOM 608 CA ARG T 40 -4.210 -6.574 7.966 1.00 0.00 C ATOM 609 C ARG T 40 -4.690 -7.680 8.892 1.00 0.00 C ATOM 610 O ARG T 40 -5.129 -8.739 8.444 1.00 0.00 O ATOM 611 CB ARG T 40 -2.712 -6.717 7.723 1.00 0.00 C ATOM 612 CG ARG T 40 -2.279 -8.131 7.371 1.00 0.00 C ATOM 613 CD ARG T 40 -0.772 -8.297 7.466 1.00 0.00 C ATOM 614 NE ARG T 40 -0.392 -9.638 7.897 1.00 0.00 N ATOM 615 CZ ARG T 40 -0.528 -10.077 9.144 1.00 0.00 C ATOM 616 NH1 ARG T 40 -1.033 -9.282 10.078 1.00 0.00 N ATOM 617 NH2 ARG T 40 -0.161 -11.312 9.459 1.00 0.00 N ATOM 0 H ARG T 40 -3.650 -4.797 8.903 1.00 0.00 H new ATOM 0 HA ARG T 40 -4.743 -6.655 7.018 1.00 0.00 H new ATOM 0 HB2 ARG T 40 -2.419 -6.046 6.916 1.00 0.00 H new ATOM 0 HB3 ARG T 40 -2.176 -6.395 8.616 1.00 0.00 H new ATOM 0 HG2 ARG T 40 -2.766 -8.838 8.042 1.00 0.00 H new ATOM 0 HG3 ARG T 40 -2.609 -8.372 6.360 1.00 0.00 H new ATOM 0 HD2 ARG T 40 -0.323 -8.088 6.495 1.00 0.00 H new ATOM 0 HD3 ARG T 40 -0.371 -7.565 8.167 1.00 0.00 H new ATOM 0 HE ARG T 40 -0.000 -10.274 7.203 1.00 0.00 H new ATOM 0 HH11 ARG T 40 -1.318 -8.332 9.840 1.00 0.00 H new ATOM 0 HH12 ARG T 40 -1.137 -9.621 11.035 1.00 0.00 H new ATOM 0 HH21 ARG T 40 0.227 -11.927 8.744 1.00 0.00 H new ATOM 0 HH22 ARG T 40 -0.266 -11.647 10.417 1.00 0.00 H new ATOM 631 N LYS T 41 -4.594 -7.422 10.192 1.00 0.00 N ATOM 632 CA LYS T 41 -5.008 -8.394 11.191 1.00 0.00 C ATOM 633 C LYS T 41 -6.523 -8.559 11.213 1.00 0.00 C ATOM 634 O LYS T 41 -7.039 -9.553 11.724 1.00 0.00 O ATOM 635 CB LYS T 41 -4.508 -7.978 12.575 1.00 0.00 C ATOM 636 CG LYS T 41 -3.055 -7.539 12.587 1.00 0.00 C ATOM 637 CD LYS T 41 -2.428 -7.716 13.960 1.00 0.00 C ATOM 638 CE LYS T 41 -0.918 -7.546 13.911 1.00 0.00 C ATOM 639 NZ LYS T 41 -0.303 -7.655 15.263 1.00 0.00 N ATOM 0 H LYS T 41 -4.233 -6.548 10.576 1.00 0.00 H new ATOM 0 HA LYS T 41 -4.567 -9.354 10.923 1.00 0.00 H new ATOM 0 HB2 LYS T 41 -5.129 -7.163 12.947 1.00 0.00 H new ATOM 0 HB3 LYS T 41 -4.633 -8.813 13.264 1.00 0.00 H new ATOM 0 HG2 LYS T 41 -2.494 -8.117 11.853 1.00 0.00 H new ATOM 0 HG3 LYS T 41 -2.988 -6.493 12.288 1.00 0.00 H new ATOM 0 HD2 LYS T 41 -2.854 -6.990 14.652 1.00 0.00 H new ATOM 0 HD3 LYS T 41 -2.671 -8.706 14.347 1.00 0.00 H new ATOM 0 HE2 LYS T 41 -0.489 -8.303 13.255 1.00 0.00 H new ATOM 0 HE3 LYS T 41 -0.676 -6.575 13.479 1.00 0.00 H new ATOM 0 HZ1 LYS T 41 0.727 -7.533 15.187 1.00 0.00 H new ATOM 0 HZ2 LYS T 41 -0.694 -6.917 15.883 1.00 0.00 H new ATOM 0 HZ3 LYS T 41 -0.512 -8.591 15.665 1.00 0.00 H new ATOM 653 N ILE T 42 -7.234 -7.584 10.657 1.00 0.00 N ATOM 654 CA ILE T 42 -8.687 -7.632 10.618 1.00 0.00 C ATOM 655 C ILE T 42 -9.168 -8.403 9.395 1.00 0.00 C ATOM 656 O ILE T 42 -10.320 -8.831 9.330 1.00 0.00 O ATOM 657 CB ILE T 42 -9.287 -6.216 10.589 1.00 0.00 C ATOM 658 CG1 ILE T 42 -9.131 -5.611 9.196 1.00 0.00 C ATOM 659 CG2 ILE T 42 -8.613 -5.338 11.633 1.00 0.00 C ATOM 660 CD1 ILE T 42 -10.394 -4.966 8.668 1.00 0.00 C ATOM 0 H ILE T 42 -6.826 -6.753 10.228 1.00 0.00 H new ATOM 0 HA ILE T 42 -9.021 -8.141 11.522 1.00 0.00 H new ATOM 0 HB ILE T 42 -10.350 -6.276 10.825 1.00 0.00 H new ATOM 0 HG12 ILE T 42 -8.336 -4.866 9.220 1.00 0.00 H new ATOM 0 HG13 ILE T 42 -8.815 -6.392 8.504 1.00 0.00 H new ATOM 0 HG21 ILE T 42 -9.046 -4.338 11.602 1.00 0.00 H new ATOM 0 HG22 ILE T 42 -8.764 -5.769 12.623 1.00 0.00 H new ATOM 0 HG23 ILE T 42 -7.545 -5.277 11.423 1.00 0.00 H new ATOM 0 HD11 ILE T 42 -10.207 -4.558 7.675 1.00 0.00 H new ATOM 0 HD12 ILE T 42 -11.187 -5.712 8.611 1.00 0.00 H new ATOM 0 HD13 ILE T 42 -10.700 -4.162 9.338 1.00 0.00 H new ATOM 672 N GLY T 43 -8.273 -8.574 8.427 1.00 0.00 N ATOM 673 CA GLY T 43 -8.616 -9.292 7.216 1.00 0.00 C ATOM 674 C GLY T 43 -8.227 -8.522 5.969 1.00 0.00 C ATOM 675 O GLY T 43 -8.681 -8.839 4.870 1.00 0.00 O ATOM 0 H GLY T 43 -7.315 -8.227 8.461 1.00 0.00 H new ATOM 0 HA2 GLY T 43 -8.116 -10.260 7.215 1.00 0.00 H new ATOM 0 HA3 GLY T 43 -9.688 -9.487 7.202 1.00 0.00 H new ATOM 679 N PHE T 44 -7.384 -7.508 6.140 1.00 0.00 N ATOM 680 CA PHE T 44 -6.939 -6.694 5.013 1.00 0.00 C ATOM 681 C PHE T 44 -5.785 -7.366 4.276 1.00 0.00 C ATOM 682 O PHE T 44 -4.622 -7.213 4.649 1.00 0.00 O ATOM 683 CB PHE T 44 -6.511 -5.303 5.492 1.00 0.00 C ATOM 684 CG PHE T 44 -6.180 -4.343 4.379 1.00 0.00 C ATOM 685 CD1 PHE T 44 -6.212 -4.751 3.053 1.00 0.00 C ATOM 686 CD2 PHE T 44 -5.834 -3.031 4.662 1.00 0.00 C ATOM 687 CE1 PHE T 44 -5.905 -3.869 2.035 1.00 0.00 C ATOM 688 CE2 PHE T 44 -5.527 -2.145 3.646 1.00 0.00 C ATOM 689 CZ PHE T 44 -5.563 -2.566 2.332 1.00 0.00 C ATOM 0 H PHE T 44 -6.997 -7.231 7.042 1.00 0.00 H new ATOM 0 HA PHE T 44 -7.777 -6.590 4.324 1.00 0.00 H new ATOM 0 HB2 PHE T 44 -7.311 -4.878 6.098 1.00 0.00 H new ATOM 0 HB3 PHE T 44 -5.640 -5.406 6.140 1.00 0.00 H new ATOM 0 HD1 PHE T 44 -6.480 -5.770 2.814 1.00 0.00 H new ATOM 0 HD2 PHE T 44 -5.804 -2.697 5.689 1.00 0.00 H new ATOM 0 HE1 PHE T 44 -5.933 -4.199 1.007 1.00 0.00 H new ATOM 0 HE2 PHE T 44 -5.259 -1.125 3.880 1.00 0.00 H new ATOM 0 HZ PHE T 44 -5.324 -1.876 1.537 1.00 0.00 H new ATOM 699 N HIS T 45 -6.115 -8.106 3.223 1.00 0.00 N ATOM 700 CA HIS T 45 -5.106 -8.794 2.426 1.00 0.00 C ATOM 701 C HIS T 45 -5.065 -8.231 1.012 1.00 0.00 C ATOM 702 O HIS T 45 -6.085 -8.176 0.325 1.00 0.00 O ATOM 703 CB HIS T 45 -5.388 -10.298 2.381 1.00 0.00 C ATOM 704 CG HIS T 45 -4.354 -11.088 1.638 1.00 0.00 C ATOM 705 ND1 HIS T 45 -4.043 -12.396 1.942 1.00 0.00 N ATOM 706 CD2 HIS T 45 -3.557 -10.747 0.596 1.00 0.00 C ATOM 707 CE1 HIS T 45 -3.101 -12.825 1.121 1.00 0.00 C ATOM 708 NE2 HIS T 45 -2.788 -11.845 0.296 1.00 0.00 N ATOM 0 H HIS T 45 -7.073 -8.245 2.902 1.00 0.00 H new ATOM 0 HA HIS T 45 -4.136 -8.633 2.896 1.00 0.00 H new ATOM 0 HB2 HIS T 45 -5.456 -10.676 3.401 1.00 0.00 H new ATOM 0 HB3 HIS T 45 -6.360 -10.462 1.915 1.00 0.00 H new ATOM 0 HD2 HIS T 45 -3.531 -9.791 0.095 1.00 0.00 H new ATOM 0 HE1 HIS T 45 -2.662 -13.812 1.125 1.00 0.00 H new ATOM 0 HE2 HIS T 45 -2.088 -11.894 -0.445 1.00 0.00 H new ATOM 717 N VAL T 46 -3.880 -7.818 0.580 1.00 0.00 N ATOM 718 CA VAL T 46 -3.708 -7.263 -0.755 1.00 0.00 C ATOM 719 C VAL T 46 -2.323 -7.590 -1.307 1.00 0.00 C ATOM 720 O VAL T 46 -1.334 -6.943 -0.962 1.00 0.00 O ATOM 721 CB VAL T 46 -3.924 -5.734 -0.759 1.00 0.00 C ATOM 722 CG1 VAL T 46 -3.573 -5.136 0.593 1.00 0.00 C ATOM 723 CG2 VAL T 46 -3.120 -5.069 -1.862 1.00 0.00 C ATOM 0 H VAL T 46 -3.025 -7.857 1.135 1.00 0.00 H new ATOM 0 HA VAL T 46 -4.461 -7.721 -1.396 1.00 0.00 H new ATOM 0 HB VAL T 46 -4.980 -5.548 -0.954 1.00 0.00 H new ATOM 0 HG11 VAL T 46 -3.733 -4.058 0.567 1.00 0.00 H new ATOM 0 HG12 VAL T 46 -4.207 -5.578 1.362 1.00 0.00 H new ATOM 0 HG13 VAL T 46 -2.527 -5.342 0.822 1.00 0.00 H new ATOM 0 HG21 VAL T 46 -3.292 -3.993 -1.840 1.00 0.00 H new ATOM 0 HG22 VAL T 46 -2.059 -5.270 -1.711 1.00 0.00 H new ATOM 0 HG23 VAL T 46 -3.430 -5.466 -2.828 1.00 0.00 H new ATOM 733 N CYS T 47 -2.264 -8.606 -2.164 1.00 0.00 N ATOM 734 CA CYS T 47 -1.006 -9.029 -2.767 1.00 0.00 C ATOM 735 C CYS T 47 -0.574 -8.066 -3.866 1.00 0.00 C ATOM 736 O CYS T 47 -0.527 -8.428 -5.041 1.00 0.00 O ATOM 737 CB CYS T 47 -1.139 -10.443 -3.335 1.00 0.00 C ATOM 738 SG CYS T 47 0.357 -11.050 -4.178 1.00 0.00 S ATOM 0 H CYS T 47 -3.075 -9.152 -2.456 1.00 0.00 H new ATOM 0 HA CYS T 47 -0.242 -9.026 -1.989 1.00 0.00 H new ATOM 0 HB2 CYS T 47 -1.388 -11.127 -2.524 1.00 0.00 H new ATOM 0 HB3 CYS T 47 -1.972 -10.464 -4.037 1.00 0.00 H new ATOM 0 HG CYS T 47 0.760 -10.163 -5.039 1.00 0.00 H new ATOM 743 N ALA T 48 -0.257 -6.835 -3.476 1.00 0.00 N ATOM 744 CA ALA T 48 0.173 -5.819 -4.427 1.00 0.00 C ATOM 745 C ALA T 48 0.886 -4.676 -3.716 1.00 0.00 C ATOM 746 O ALA T 48 0.302 -3.996 -2.872 1.00 0.00 O ATOM 747 CB ALA T 48 -1.019 -5.297 -5.216 1.00 0.00 C ATOM 0 H ALA T 48 -0.290 -6.518 -2.507 1.00 0.00 H new ATOM 0 HA ALA T 48 0.878 -6.276 -5.121 1.00 0.00 H new ATOM 0 HB1 ALA T 48 -0.683 -4.538 -5.923 1.00 0.00 H new ATOM 0 HB2 ALA T 48 -1.484 -6.119 -5.760 1.00 0.00 H new ATOM 0 HB3 ALA T 48 -1.745 -4.859 -4.531 1.00 0.00 H new ATOM 753 N ALA T 49 2.154 -4.472 -4.063 1.00 0.00 N ATOM 754 CA ALA T 49 2.952 -3.411 -3.457 1.00 0.00 C ATOM 755 C ALA T 49 2.127 -2.144 -3.268 1.00 0.00 C ATOM 756 O ALA T 49 1.598 -1.587 -4.228 1.00 0.00 O ATOM 757 CB ALA T 49 4.178 -3.121 -4.309 1.00 0.00 C ATOM 0 H ALA T 49 2.650 -5.027 -4.760 1.00 0.00 H new ATOM 0 HA ALA T 49 3.278 -3.752 -2.474 1.00 0.00 H new ATOM 0 HB1 ALA T 49 4.764 -2.328 -3.845 1.00 0.00 H new ATOM 0 HB2 ALA T 49 4.786 -4.022 -4.390 1.00 0.00 H new ATOM 0 HB3 ALA T 49 3.863 -2.805 -5.304 1.00 0.00 H new ATOM 763 N GLY T 50 2.020 -1.696 -2.022 1.00 0.00 N ATOM 764 CA GLY T 50 1.255 -0.498 -1.732 1.00 0.00 C ATOM 765 C GLY T 50 2.072 0.560 -1.019 1.00 0.00 C ATOM 766 O GLY T 50 2.611 0.317 0.060 1.00 0.00 O ATOM 0 H GLY T 50 2.448 -2.140 -1.210 1.00 0.00 H new ATOM 0 HA2 GLY T 50 0.867 -0.085 -2.663 1.00 0.00 H new ATOM 0 HA3 GLY T 50 0.394 -0.762 -1.118 1.00 0.00 H new ATOM 770 N TRP T 51 2.169 1.734 -1.631 1.00 0.00 N ATOM 771 CA TRP T 51 2.930 2.838 -1.060 1.00 0.00 C ATOM 772 C TRP T 51 2.483 3.158 0.362 1.00 0.00 C ATOM 773 O TRP T 51 1.398 2.765 0.792 1.00 0.00 O ATOM 774 CB TRP T 51 2.785 4.080 -1.938 1.00 0.00 C ATOM 775 CG TRP T 51 3.633 4.028 -3.166 1.00 0.00 C ATOM 776 CD1 TRP T 51 3.219 3.756 -4.436 1.00 0.00 C ATOM 777 CD2 TRP T 51 5.044 4.244 -3.236 1.00 0.00 C ATOM 778 NE1 TRP T 51 4.292 3.792 -5.298 1.00 0.00 N ATOM 779 CE2 TRP T 51 5.425 4.091 -4.582 1.00 0.00 C ATOM 780 CE3 TRP T 51 6.023 4.553 -2.288 1.00 0.00 C ATOM 781 CZ2 TRP T 51 6.744 4.238 -5.002 1.00 0.00 C ATOM 782 CZ3 TRP T 51 7.332 4.700 -2.705 1.00 0.00 C ATOM 783 CH2 TRP T 51 7.683 4.542 -4.052 1.00 0.00 C ATOM 0 H TRP T 51 1.728 1.946 -2.526 1.00 0.00 H new ATOM 0 HA TRP T 51 3.976 2.533 -1.021 1.00 0.00 H new ATOM 0 HB2 TRP T 51 1.741 4.193 -2.229 1.00 0.00 H new ATOM 0 HB3 TRP T 51 3.051 4.963 -1.356 1.00 0.00 H new ATOM 0 HD1 TRP T 51 2.200 3.544 -4.724 1.00 0.00 H new ATOM 0 HE1 TRP T 51 4.252 3.624 -6.303 1.00 0.00 H new ATOM 0 HE3 TRP T 51 5.761 4.675 -1.247 1.00 0.00 H new ATOM 0 HZ2 TRP T 51 7.017 4.117 -6.040 1.00 0.00 H new ATOM 0 HZ3 TRP T 51 8.097 4.940 -1.981 1.00 0.00 H new ATOM 0 HH2 TRP T 51 8.715 4.662 -4.347 1.00 0.00 H new ATOM 794 N MET T 52 3.334 3.884 1.081 1.00 0.00 N ATOM 795 CA MET T 52 3.046 4.281 2.454 1.00 0.00 C ATOM 796 C MET T 52 3.831 5.537 2.820 1.00 0.00 C ATOM 797 O MET T 52 4.654 6.012 2.039 1.00 0.00 O ATOM 798 CB MET T 52 3.383 3.147 3.428 1.00 0.00 C ATOM 799 CG MET T 52 4.732 2.498 3.172 1.00 0.00 C ATOM 800 SD MET T 52 4.588 0.837 2.483 1.00 0.00 S ATOM 801 CE MET T 52 3.583 0.038 3.731 1.00 0.00 C ATOM 0 H MET T 52 4.235 4.211 0.732 1.00 0.00 H new ATOM 0 HA MET T 52 1.980 4.497 2.530 1.00 0.00 H new ATOM 0 HB2 MET T 52 3.366 3.538 4.445 1.00 0.00 H new ATOM 0 HB3 MET T 52 2.606 2.385 3.366 1.00 0.00 H new ATOM 0 HG2 MET T 52 5.306 3.122 2.487 1.00 0.00 H new ATOM 0 HG3 MET T 52 5.291 2.452 4.106 1.00 0.00 H new ATOM 0 HE1 MET T 52 3.877 -1.008 3.820 1.00 0.00 H new ATOM 0 HE2 MET T 52 3.726 0.538 4.689 1.00 0.00 H new ATOM 0 HE3 MET T 52 2.533 0.096 3.445 1.00 0.00 H new ATOM 811 N ALA T 53 3.571 6.071 4.008 1.00 0.00 N ATOM 812 CA ALA T 53 4.254 7.274 4.470 1.00 0.00 C ATOM 813 C ALA T 53 5.770 7.115 4.392 1.00 0.00 C ATOM 814 O ALA T 53 6.284 5.998 4.334 1.00 0.00 O ATOM 815 CB ALA T 53 3.830 7.610 5.891 1.00 0.00 C ATOM 0 H ALA T 53 2.893 5.691 4.668 1.00 0.00 H new ATOM 0 HA ALA T 53 3.969 8.095 3.813 1.00 0.00 H new ATOM 0 HB1 ALA T 53 4.348 8.510 6.222 1.00 0.00 H new ATOM 0 HB2 ALA T 53 2.754 7.780 5.919 1.00 0.00 H new ATOM 0 HB3 ALA T 53 4.084 6.781 6.552 1.00 0.00 H new ATOM 821 N LYS T 54 6.478 8.244 4.395 1.00 0.00 N ATOM 822 CA LYS T 54 7.937 8.246 4.329 1.00 0.00 C ATOM 823 C LYS T 54 8.433 8.011 2.905 1.00 0.00 C ATOM 824 O LYS T 54 9.495 8.501 2.521 1.00 0.00 O ATOM 825 CB LYS T 54 8.520 7.186 5.265 1.00 0.00 C ATOM 826 CG LYS T 54 8.132 7.373 6.723 1.00 0.00 C ATOM 827 CD LYS T 54 8.656 6.244 7.596 1.00 0.00 C ATOM 828 CE LYS T 54 9.792 6.714 8.492 1.00 0.00 C ATOM 829 NZ LYS T 54 9.343 6.933 9.894 1.00 0.00 N ATOM 0 H LYS T 54 6.061 9.174 4.443 1.00 0.00 H new ATOM 0 HA LYS T 54 8.277 9.231 4.649 1.00 0.00 H new ATOM 0 HB2 LYS T 54 8.189 6.201 4.934 1.00 0.00 H new ATOM 0 HB3 LYS T 54 9.607 7.201 5.183 1.00 0.00 H new ATOM 0 HG2 LYS T 54 8.524 8.324 7.084 1.00 0.00 H new ATOM 0 HG3 LYS T 54 7.046 7.423 6.807 1.00 0.00 H new ATOM 0 HD2 LYS T 54 7.846 5.851 8.210 1.00 0.00 H new ATOM 0 HD3 LYS T 54 9.003 5.426 6.965 1.00 0.00 H new ATOM 0 HE2 LYS T 54 10.593 5.975 8.479 1.00 0.00 H new ATOM 0 HE3 LYS T 54 10.207 7.641 8.095 1.00 0.00 H new ATOM 0 HZ1 LYS T 54 10.148 7.252 10.470 1.00 0.00 H new ATOM 0 HZ2 LYS T 54 8.596 7.657 9.910 1.00 0.00 H new ATOM 0 HZ3 LYS T 54 8.971 6.043 10.282 1.00 0.00 H new ATOM 843 N GLY T 55 7.664 7.258 2.125 1.00 0.00 N ATOM 844 CA GLY T 55 8.051 6.972 0.757 1.00 0.00 C ATOM 845 C GLY T 55 8.386 5.508 0.569 1.00 0.00 C ATOM 846 O GLY T 55 9.130 5.144 -0.341 1.00 0.00 O ATOM 0 H GLY T 55 6.780 6.841 2.416 1.00 0.00 H new ATOM 0 HA2 GLY T 55 7.241 7.250 0.083 1.00 0.00 H new ATOM 0 HA3 GLY T 55 8.914 7.581 0.487 1.00 0.00 H new ATOM 850 N ARG T 56 7.836 4.667 1.437 1.00 0.00 N ATOM 851 CA ARG T 56 8.077 3.232 1.372 1.00 0.00 C ATOM 852 C ARG T 56 6.910 2.517 0.703 1.00 0.00 C ATOM 853 O ARG T 56 5.803 3.049 0.625 1.00 0.00 O ATOM 854 CB ARG T 56 8.295 2.667 2.776 1.00 0.00 C ATOM 855 CG ARG T 56 9.755 2.615 3.193 1.00 0.00 C ATOM 856 CD ARG T 56 9.901 2.638 4.706 1.00 0.00 C ATOM 857 NE ARG T 56 11.223 3.092 5.123 1.00 0.00 N ATOM 858 CZ ARG T 56 11.630 3.113 6.388 1.00 0.00 C ATOM 859 NH1 ARG T 56 10.816 2.706 7.354 1.00 0.00 N ATOM 860 NH2 ARG T 56 12.848 3.539 6.689 1.00 0.00 N ATOM 0 H ARG T 56 7.219 4.956 2.196 1.00 0.00 H new ATOM 0 HA ARG T 56 8.974 3.066 0.776 1.00 0.00 H new ATOM 0 HB2 ARG T 56 7.743 3.275 3.493 1.00 0.00 H new ATOM 0 HB3 ARG T 56 7.877 1.661 2.822 1.00 0.00 H new ATOM 0 HG2 ARG T 56 10.217 1.711 2.795 1.00 0.00 H new ATOM 0 HG3 ARG T 56 10.289 3.462 2.762 1.00 0.00 H new ATOM 0 HD2 ARG T 56 9.142 3.293 5.133 1.00 0.00 H new ATOM 0 HD3 ARG T 56 9.720 1.639 5.102 1.00 0.00 H new ATOM 0 HE ARG T 56 11.871 3.411 4.403 1.00 0.00 H new ATOM 0 HH11 ARG T 56 9.878 2.377 7.126 1.00 0.00 H new ATOM 0 HH12 ARG T 56 11.129 2.722 8.325 1.00 0.00 H new ATOM 0 HH21 ARG T 56 13.476 3.852 5.949 1.00 0.00 H new ATOM 0 HH22 ARG T 56 13.157 3.554 7.661 1.00 0.00 H new ATOM 874 N VAL T 57 7.165 1.307 0.221 1.00 0.00 N ATOM 875 CA VAL T 57 6.141 0.516 -0.439 1.00 0.00 C ATOM 876 C VAL T 57 6.380 -0.975 -0.222 1.00 0.00 C ATOM 877 O VAL T 57 7.299 -1.558 -0.797 1.00 0.00 O ATOM 878 CB VAL T 57 6.098 0.817 -1.947 1.00 0.00 C ATOM 879 CG1 VAL T 57 7.494 1.108 -2.476 1.00 0.00 C ATOM 880 CG2 VAL T 57 5.455 -0.329 -2.714 1.00 0.00 C ATOM 0 H VAL T 57 8.077 0.853 0.277 1.00 0.00 H new ATOM 0 HA VAL T 57 5.182 0.789 0.002 1.00 0.00 H new ATOM 0 HB VAL T 57 5.484 1.705 -2.098 1.00 0.00 H new ATOM 0 HG11 VAL T 57 7.442 1.318 -3.544 1.00 0.00 H new ATOM 0 HG12 VAL T 57 7.907 1.972 -1.956 1.00 0.00 H new ATOM 0 HG13 VAL T 57 8.135 0.242 -2.308 1.00 0.00 H new ATOM 0 HG21 VAL T 57 5.437 -0.090 -3.777 1.00 0.00 H new ATOM 0 HG22 VAL T 57 6.031 -1.241 -2.556 1.00 0.00 H new ATOM 0 HG23 VAL T 57 4.435 -0.478 -2.359 1.00 0.00 H new ATOM 890 N GLY T 58 5.548 -1.584 0.617 1.00 0.00 N ATOM 891 CA GLY T 58 5.685 -2.999 0.902 1.00 0.00 C ATOM 892 C GLY T 58 4.572 -3.820 0.284 1.00 0.00 C ATOM 893 O GLY T 58 3.820 -3.325 -0.553 1.00 0.00 O ATOM 0 H GLY T 58 4.781 -1.121 1.105 1.00 0.00 H new ATOM 0 HA2 GLY T 58 6.645 -3.352 0.526 1.00 0.00 H new ATOM 0 HA3 GLY T 58 5.690 -3.151 1.981 1.00 0.00 H new ATOM 897 N TYR T 59 4.469 -5.080 0.697 1.00 0.00 N ATOM 898 CA TYR T 59 3.438 -5.969 0.173 1.00 0.00 C ATOM 899 C TYR T 59 2.809 -6.799 1.288 1.00 0.00 C ATOM 900 O TYR T 59 3.216 -7.933 1.539 1.00 0.00 O ATOM 901 CB TYR T 59 4.022 -6.890 -0.901 1.00 0.00 C ATOM 902 CG TYR T 59 5.403 -6.478 -1.360 1.00 0.00 C ATOM 903 CD1 TYR T 59 5.576 -5.417 -2.240 1.00 0.00 C ATOM 904 CD2 TYR T 59 6.534 -7.149 -0.911 1.00 0.00 C ATOM 905 CE1 TYR T 59 6.836 -5.038 -2.663 1.00 0.00 C ATOM 906 CE2 TYR T 59 7.797 -6.775 -1.329 1.00 0.00 C ATOM 907 CZ TYR T 59 7.942 -5.720 -2.204 1.00 0.00 C ATOM 908 OH TYR T 59 9.200 -5.345 -2.622 1.00 0.00 O ATOM 0 H TYR T 59 5.084 -5.507 1.390 1.00 0.00 H new ATOM 0 HA TYR T 59 2.659 -5.351 -0.274 1.00 0.00 H new ATOM 0 HB2 TYR T 59 4.065 -7.907 -0.512 1.00 0.00 H new ATOM 0 HB3 TYR T 59 3.351 -6.905 -1.760 1.00 0.00 H new ATOM 0 HD1 TYR T 59 4.711 -4.879 -2.600 1.00 0.00 H new ATOM 0 HD2 TYR T 59 6.424 -7.976 -0.225 1.00 0.00 H new ATOM 0 HE1 TYR T 59 6.953 -4.212 -3.349 1.00 0.00 H new ATOM 0 HE2 TYR T 59 8.666 -7.307 -0.972 1.00 0.00 H new ATOM 0 HH TYR T 59 9.860 -5.601 -1.944 1.00 0.00 H new ATOM 918 N PRO T 60 1.800 -6.236 1.973 1.00 0.00 N ATOM 919 CA PRO T 60 1.100 -6.920 3.067 1.00 0.00 C ATOM 920 C PRO T 60 0.381 -8.180 2.594 1.00 0.00 C ATOM 921 O PRO T 60 -0.377 -8.145 1.624 1.00 0.00 O ATOM 922 CB PRO T 60 0.081 -5.883 3.558 1.00 0.00 C ATOM 923 CG PRO T 60 0.536 -4.577 3.003 1.00 0.00 C ATOM 924 CD PRO T 60 1.265 -4.889 1.731 1.00 0.00 C ATOM 0 HA PRO T 60 1.792 -7.252 3.840 1.00 0.00 H new ATOM 0 HB2 PRO T 60 -0.923 -6.127 3.212 1.00 0.00 H new ATOM 0 HB3 PRO T 60 0.045 -5.855 4.647 1.00 0.00 H new ATOM 0 HG2 PRO T 60 -0.312 -3.919 2.813 1.00 0.00 H new ATOM 0 HG3 PRO T 60 1.188 -4.061 3.708 1.00 0.00 H new ATOM 0 HD2 PRO T 60 0.598 -4.869 0.869 1.00 0.00 H new ATOM 0 HD3 PRO T 60 2.060 -4.169 1.535 1.00 0.00 H new ATOM 932 N ILE T 61 0.620 -9.291 3.284 1.00 0.00 N ATOM 933 CA ILE T 61 -0.009 -10.559 2.931 1.00 0.00 C ATOM 934 C ILE T 61 -0.399 -11.348 4.177 1.00 0.00 C ATOM 935 O ILE T 61 0.460 -11.748 4.964 1.00 0.00 O ATOM 936 CB ILE T 61 0.922 -11.429 2.063 1.00 0.00 C ATOM 937 CG1 ILE T 61 1.418 -10.635 0.853 1.00 0.00 C ATOM 938 CG2 ILE T 61 0.202 -12.691 1.613 1.00 0.00 C ATOM 939 CD1 ILE T 61 0.393 -10.511 -0.252 1.00 0.00 C ATOM 0 H ILE T 61 1.244 -9.339 4.090 1.00 0.00 H new ATOM 0 HA ILE T 61 -0.905 -10.315 2.361 1.00 0.00 H new ATOM 0 HB ILE T 61 1.784 -11.719 2.663 1.00 0.00 H new ATOM 0 HG12 ILE T 61 1.711 -9.637 1.179 1.00 0.00 H new ATOM 0 HG13 ILE T 61 2.312 -11.115 0.456 1.00 0.00 H new ATOM 0 HG21 ILE T 61 0.873 -13.294 1.001 1.00 0.00 H new ATOM 0 HG22 ILE T 61 -0.107 -13.265 2.487 1.00 0.00 H new ATOM 0 HG23 ILE T 61 -0.677 -12.420 1.028 1.00 0.00 H new ATOM 0 HD11 ILE T 61 0.815 -9.936 -1.076 1.00 0.00 H new ATOM 0 HD12 ILE T 61 0.118 -11.504 -0.606 1.00 0.00 H new ATOM 0 HD13 ILE T 61 -0.493 -10.003 0.129 1.00 0.00 H new ATOM 951 N VAL T 62 -1.697 -11.574 4.348 1.00 0.00 N ATOM 952 CA VAL T 62 -2.197 -12.320 5.497 1.00 0.00 C ATOM 953 C VAL T 62 -2.271 -13.812 5.186 1.00 0.00 C ATOM 954 O VAL T 62 -2.380 -14.641 6.090 1.00 0.00 O ATOM 955 CB VAL T 62 -3.591 -11.828 5.928 1.00 0.00 C ATOM 956 CG1 VAL T 62 -3.731 -11.883 7.443 1.00 0.00 C ATOM 957 CG2 VAL T 62 -3.847 -10.420 5.412 1.00 0.00 C ATOM 0 H VAL T 62 -2.421 -11.252 3.706 1.00 0.00 H new ATOM 0 HA VAL T 62 -1.496 -12.152 6.314 1.00 0.00 H new ATOM 0 HB VAL T 62 -4.340 -12.489 5.492 1.00 0.00 H new ATOM 0 HG11 VAL T 62 -4.722 -11.532 7.730 1.00 0.00 H new ATOM 0 HG12 VAL T 62 -3.597 -12.910 7.784 1.00 0.00 H new ATOM 0 HG13 VAL T 62 -2.974 -11.247 7.902 1.00 0.00 H new ATOM 0 HG21 VAL T 62 -4.837 -10.091 5.728 1.00 0.00 H new ATOM 0 HG22 VAL T 62 -3.094 -9.742 5.815 1.00 0.00 H new ATOM 0 HG23 VAL T 62 -3.793 -10.416 4.323 1.00 0.00 H new ATOM 1104 N THR T 73 5.263 -13.902 5.338 1.00 0.00 N ATOM 1105 CA THR T 73 4.359 -13.693 6.459 1.00 0.00 C ATOM 1106 C THR T 73 4.280 -12.218 6.833 1.00 0.00 C ATOM 1107 O THR T 73 5.303 -11.553 6.994 1.00 0.00 O ATOM 1108 CB THR T 73 4.805 -14.499 7.689 1.00 0.00 C ATOM 1109 OG1 THR T 73 6.198 -14.819 7.587 1.00 0.00 O ATOM 1110 CG2 THR T 73 3.995 -15.779 7.818 1.00 0.00 C ATOM 0 HA THR T 73 3.374 -14.037 6.143 1.00 0.00 H new ATOM 0 HB THR T 73 4.637 -13.889 8.576 1.00 0.00 H new ATOM 0 HG1 THR T 73 6.505 -14.655 6.671 1.00 0.00 H new ATOM 0 HG21 THR T 73 4.328 -16.333 8.695 1.00 0.00 H new ATOM 0 HG22 THR T 73 2.939 -15.532 7.924 1.00 0.00 H new ATOM 0 HG23 THR T 73 4.137 -16.391 6.927 1.00 0.00 H new ATOM 1118 N GLY T 74 3.059 -11.711 6.970 1.00 0.00 N ATOM 1119 CA GLY T 74 2.870 -10.317 7.324 1.00 0.00 C ATOM 1120 C GLY T 74 3.233 -9.390 6.182 1.00 0.00 C ATOM 1121 O GLY T 74 3.423 -9.836 5.049 1.00 0.00 O ATOM 0 H GLY T 74 2.197 -12.241 6.842 1.00 0.00 H new ATOM 0 HA2 GLY T 74 1.831 -10.152 7.609 1.00 0.00 H new ATOM 0 HA3 GLY T 74 3.481 -10.077 8.194 1.00 0.00 H new ATOM 1125 N ILE T 75 3.328 -8.099 6.476 1.00 0.00 N ATOM 1126 CA ILE T 75 3.670 -7.111 5.461 1.00 0.00 C ATOM 1127 C ILE T 75 5.156 -7.150 5.133 1.00 0.00 C ATOM 1128 O ILE T 75 6.003 -7.017 6.018 1.00 0.00 O ATOM 1129 CB ILE T 75 3.296 -5.685 5.906 1.00 0.00 C ATOM 1130 CG1 ILE T 75 1.823 -5.626 6.311 1.00 0.00 C ATOM 1131 CG2 ILE T 75 3.592 -4.690 4.793 1.00 0.00 C ATOM 1132 CD1 ILE T 75 1.302 -4.221 6.518 1.00 0.00 C ATOM 0 H ILE T 75 3.173 -7.713 7.407 1.00 0.00 H new ATOM 0 HA ILE T 75 3.094 -7.368 4.572 1.00 0.00 H new ATOM 0 HB ILE T 75 3.900 -5.417 6.773 1.00 0.00 H new ATOM 0 HG12 ILE T 75 1.225 -6.116 5.543 1.00 0.00 H new ATOM 0 HG13 ILE T 75 1.686 -6.194 7.231 1.00 0.00 H new ATOM 0 HG21 ILE T 75 3.323 -3.686 5.121 1.00 0.00 H new ATOM 0 HG22 ILE T 75 4.654 -4.720 4.551 1.00 0.00 H new ATOM 0 HG23 ILE T 75 3.011 -4.950 3.908 1.00 0.00 H new ATOM 0 HD11 ILE T 75 0.251 -4.261 6.803 1.00 0.00 H new ATOM 0 HD12 ILE T 75 1.874 -3.734 7.308 1.00 0.00 H new ATOM 0 HD13 ILE T 75 1.405 -3.655 5.593 1.00 0.00 H new ATOM 1144 N ILE T 76 5.467 -7.330 3.855 1.00 0.00 N ATOM 1145 CA ILE T 76 6.853 -7.382 3.408 1.00 0.00 C ATOM 1146 C ILE T 76 7.334 -6.006 2.963 1.00 0.00 C ATOM 1147 O ILE T 76 7.357 -5.700 1.771 1.00 0.00 O ATOM 1148 CB ILE T 76 7.035 -8.383 2.250 1.00 0.00 C ATOM 1149 CG1 ILE T 76 6.339 -9.709 2.572 1.00 0.00 C ATOM 1150 CG2 ILE T 76 8.514 -8.608 1.972 1.00 0.00 C ATOM 1151 CD1 ILE T 76 6.518 -10.156 4.006 1.00 0.00 C ATOM 0 H ILE T 76 4.779 -7.442 3.111 1.00 0.00 H new ATOM 0 HA ILE T 76 7.450 -7.715 4.257 1.00 0.00 H new ATOM 0 HB ILE T 76 6.576 -7.964 1.355 1.00 0.00 H new ATOM 0 HG12 ILE T 76 5.274 -9.611 2.361 1.00 0.00 H new ATOM 0 HG13 ILE T 76 6.725 -10.483 1.908 1.00 0.00 H new ATOM 0 HG21 ILE T 76 8.626 -9.317 1.152 1.00 0.00 H new ATOM 0 HG22 ILE T 76 8.981 -7.662 1.700 1.00 0.00 H new ATOM 0 HG23 ILE T 76 8.996 -9.007 2.865 1.00 0.00 H new ATOM 0 HD11 ILE T 76 5.998 -11.102 4.160 1.00 0.00 H new ATOM 0 HD12 ILE T 76 7.579 -10.287 4.216 1.00 0.00 H new ATOM 0 HD13 ILE T 76 6.106 -9.402 4.676 1.00 0.00 H new ATOM 1163 N ASP T 77 7.715 -5.179 3.931 1.00 0.00 N ATOM 1164 CA ASP T 77 8.196 -3.832 3.643 1.00 0.00 C ATOM 1165 C ASP T 77 9.692 -3.721 3.914 1.00 0.00 C ATOM 1166 O ASP T 77 10.149 -3.956 5.032 1.00 0.00 O ATOM 1167 CB ASP T 77 7.435 -2.806 4.484 1.00 0.00 C ATOM 1168 CG ASP T 77 7.384 -1.440 3.828 1.00 0.00 C ATOM 1169 OD1 ASP T 77 7.764 -1.334 2.644 1.00 0.00 O ATOM 1170 OD2 ASP T 77 6.963 -0.474 4.501 1.00 0.00 O ATOM 0 H ASP T 77 7.700 -5.418 4.923 1.00 0.00 H new ATOM 0 HA ASP T 77 8.020 -3.627 2.587 1.00 0.00 H new ATOM 0 HB2 ASP T 77 6.419 -3.162 4.654 1.00 0.00 H new ATOM 0 HB3 ASP T 77 7.909 -2.719 5.461 1.00 0.00 H new ATOM 1175 N TYR T 78 10.449 -3.365 2.883 1.00 0.00 N ATOM 1176 CA TYR T 78 11.895 -3.226 3.007 1.00 0.00 C ATOM 1177 C TYR T 78 12.268 -1.829 3.495 1.00 0.00 C ATOM 1178 O TYR T 78 12.636 -1.645 4.655 1.00 0.00 O ATOM 1179 CB TYR T 78 12.572 -3.513 1.666 1.00 0.00 C ATOM 1180 CG TYR T 78 12.301 -4.904 1.136 1.00 0.00 C ATOM 1181 CD1 TYR T 78 11.003 -5.330 0.884 1.00 0.00 C ATOM 1182 CD2 TYR T 78 13.342 -5.789 0.890 1.00 0.00 C ATOM 1183 CE1 TYR T 78 10.751 -6.601 0.402 1.00 0.00 C ATOM 1184 CE2 TYR T 78 13.098 -7.061 0.407 1.00 0.00 C ATOM 1185 CZ TYR T 78 11.801 -7.462 0.165 1.00 0.00 C ATOM 1186 OH TYR T 78 11.555 -8.728 -0.315 1.00 0.00 O ATOM 0 H TYR T 78 10.085 -3.167 1.951 1.00 0.00 H new ATOM 0 HA TYR T 78 12.244 -3.951 3.743 1.00 0.00 H new ATOM 0 HB2 TYR T 78 12.232 -2.781 0.933 1.00 0.00 H new ATOM 0 HB3 TYR T 78 13.648 -3.378 1.776 1.00 0.00 H new ATOM 0 HD1 TYR T 78 10.178 -4.658 1.067 1.00 0.00 H new ATOM 0 HD2 TYR T 78 14.359 -5.479 1.079 1.00 0.00 H new ATOM 0 HE1 TYR T 78 9.736 -6.918 0.212 1.00 0.00 H new ATOM 0 HE2 TYR T 78 13.919 -7.737 0.220 1.00 0.00 H new ATOM 0 HH TYR T 78 12.403 -9.206 -0.428 1.00 0.00 H new ATOM 1196 N GLY T 79 12.171 -0.849 2.602 1.00 0.00 N ATOM 1197 CA GLY T 79 12.502 0.517 2.963 1.00 0.00 C ATOM 1198 C GLY T 79 12.472 1.428 1.751 1.00 0.00 C ATOM 1199 O GLY T 79 12.379 0.959 0.617 1.00 0.00 O ATOM 0 H GLY T 79 11.869 -0.976 1.636 1.00 0.00 H new ATOM 0 HA2 GLY T 79 11.797 0.879 3.711 1.00 0.00 H new ATOM 0 HA3 GLY T 79 13.492 0.546 3.418 1.00 0.00 H new ATOM 1203 N ILE T 80 12.552 2.732 1.993 1.00 0.00 N ATOM 1204 CA ILE T 80 12.534 3.713 0.914 1.00 0.00 C ATOM 1205 C ILE T 80 13.667 3.460 -0.075 1.00 0.00 C ATOM 1206 O ILE T 80 14.835 3.699 0.230 1.00 0.00 O ATOM 1207 CB ILE T 80 12.652 5.150 1.458 1.00 0.00 C ATOM 1208 CG1 ILE T 80 11.544 5.426 2.476 1.00 0.00 C ATOM 1209 CG2 ILE T 80 12.597 6.156 0.318 1.00 0.00 C ATOM 1210 CD1 ILE T 80 11.799 6.640 3.341 1.00 0.00 C ATOM 0 H ILE T 80 12.630 3.134 2.927 1.00 0.00 H new ATOM 0 HA ILE T 80 11.577 3.605 0.403 1.00 0.00 H new ATOM 0 HB ILE T 80 13.614 5.254 1.960 1.00 0.00 H new ATOM 0 HG12 ILE T 80 10.601 5.561 1.946 1.00 0.00 H new ATOM 0 HG13 ILE T 80 11.427 4.552 3.117 1.00 0.00 H new ATOM 0 HG21 ILE T 80 12.682 7.166 0.719 1.00 0.00 H new ATOM 0 HG22 ILE T 80 13.420 5.970 -0.372 1.00 0.00 H new ATOM 0 HG23 ILE T 80 11.650 6.054 -0.212 1.00 0.00 H new ATOM 0 HD11 ILE T 80 10.971 6.771 4.037 1.00 0.00 H new ATOM 0 HD12 ILE T 80 12.724 6.501 3.900 1.00 0.00 H new ATOM 0 HD13 ILE T 80 11.886 7.525 2.710 1.00 0.00 H new ATOM 1222 N ARG T 81 13.313 2.975 -1.260 1.00 0.00 N ATOM 1223 CA ARG T 81 14.301 2.688 -2.295 1.00 0.00 C ATOM 1224 C ARG T 81 14.584 3.926 -3.138 1.00 0.00 C ATOM 1225 O ARG T 81 15.159 3.832 -4.223 1.00 0.00 O ATOM 1226 CB ARG T 81 13.814 1.547 -3.190 1.00 0.00 C ATOM 1227 CG ARG T 81 13.504 0.268 -2.429 1.00 0.00 C ATOM 1228 CD ARG T 81 14.719 -0.641 -2.347 1.00 0.00 C ATOM 1229 NE ARG T 81 14.343 -2.048 -2.239 1.00 0.00 N ATOM 1230 CZ ARG T 81 14.594 -2.952 -3.180 1.00 0.00 C ATOM 1231 NH1 ARG T 81 15.220 -2.596 -4.294 1.00 0.00 N ATOM 1232 NH2 ARG T 81 14.220 -4.212 -3.009 1.00 0.00 N ATOM 0 H ARG T 81 12.350 2.772 -1.528 1.00 0.00 H new ATOM 0 HA ARG T 81 15.227 2.387 -1.805 1.00 0.00 H new ATOM 0 HB2 ARG T 81 12.919 1.870 -3.722 1.00 0.00 H new ATOM 0 HB3 ARG T 81 14.574 1.337 -3.943 1.00 0.00 H new ATOM 0 HG2 ARG T 81 13.165 0.515 -1.423 1.00 0.00 H new ATOM 0 HG3 ARG T 81 12.686 -0.260 -2.920 1.00 0.00 H new ATOM 0 HD2 ARG T 81 15.339 -0.498 -3.232 1.00 0.00 H new ATOM 0 HD3 ARG T 81 15.324 -0.360 -1.485 1.00 0.00 H new ATOM 0 HE ARG T 81 13.861 -2.354 -1.394 1.00 0.00 H new ATOM 0 HH11 ARG T 81 15.509 -1.627 -4.429 1.00 0.00 H new ATOM 0 HH12 ARG T 81 15.412 -3.291 -5.015 1.00 0.00 H new ATOM 0 HH21 ARG T 81 13.738 -4.489 -2.154 1.00 0.00 H new ATOM 0 HH22 ARG T 81 14.414 -4.904 -3.733 1.00 0.00 H new ATOM 1246 N LEU T 82 14.175 5.087 -2.635 1.00 0.00 N ATOM 1247 CA LEU T 82 14.385 6.344 -3.344 1.00 0.00 C ATOM 1248 C LEU T 82 13.829 6.268 -4.763 1.00 0.00 C ATOM 1249 O LEU T 82 14.312 6.947 -5.668 1.00 0.00 O ATOM 1250 CB LEU T 82 15.875 6.688 -3.383 1.00 0.00 C ATOM 1251 CG LEU T 82 16.223 8.159 -3.138 1.00 0.00 C ATOM 1252 CD1 LEU T 82 15.758 9.020 -4.303 1.00 0.00 C ATOM 1253 CD2 LEU T 82 15.606 8.645 -1.836 1.00 0.00 C ATOM 0 H LEU T 82 13.696 5.183 -1.739 1.00 0.00 H new ATOM 0 HA LEU T 82 13.853 7.129 -2.807 1.00 0.00 H new ATOM 0 HB2 LEU T 82 16.389 6.083 -2.636 1.00 0.00 H new ATOM 0 HB3 LEU T 82 16.271 6.397 -4.356 1.00 0.00 H new ATOM 0 HG LEU T 82 17.307 8.246 -3.058 1.00 0.00 H new ATOM 0 HD11 LEU T 82 16.014 10.062 -4.110 1.00 0.00 H new ATOM 0 HD12 LEU T 82 16.248 8.689 -5.218 1.00 0.00 H new ATOM 0 HD13 LEU T 82 14.678 8.927 -4.416 1.00 0.00 H new ATOM 0 HD21 LEU T 82 15.865 9.692 -1.679 1.00 0.00 H new ATOM 0 HD22 LEU T 82 14.522 8.542 -1.886 1.00 0.00 H new ATOM 0 HD23 LEU T 82 15.989 8.049 -1.007 1.00 0.00 H new ATOM 1265 N ASN T 83 12.812 5.432 -4.948 1.00 0.00 N ATOM 1266 CA ASN T 83 12.191 5.265 -6.256 1.00 0.00 C ATOM 1267 C ASN T 83 10.702 5.588 -6.199 1.00 0.00 C ATOM 1268 O ASN T 83 9.859 4.726 -6.450 1.00 0.00 O ATOM 1269 CB ASN T 83 12.395 3.835 -6.759 1.00 0.00 C ATOM 1270 CG ASN T 83 13.541 3.728 -7.746 1.00 0.00 C ATOM 1271 OD1 ASN T 83 13.681 2.726 -8.447 1.00 0.00 O ATOM 1272 ND2 ASN T 83 14.369 4.765 -7.807 1.00 0.00 N ATOM 0 H ASN T 83 12.401 4.861 -4.209 1.00 0.00 H new ATOM 0 HA ASN T 83 12.667 5.960 -6.948 1.00 0.00 H new ATOM 0 HB2 ASN T 83 12.587 3.178 -5.911 1.00 0.00 H new ATOM 0 HB3 ASN T 83 11.478 3.485 -7.232 1.00 0.00 H new ATOM 0 HD21 ASN T 83 15.158 4.750 -8.453 1.00 0.00 H new ATOM 0 HD22 ASN T 83 14.216 5.576 -7.207 1.00 0.00 H new ATOM 1279 N ARG T 84 10.383 6.836 -5.871 1.00 0.00 N ATOM 1280 CA ARG T 84 8.997 7.271 -5.787 1.00 0.00 C ATOM 1281 C ARG T 84 8.366 7.332 -7.173 1.00 0.00 C ATOM 1282 O ARG T 84 7.188 7.661 -7.318 1.00 0.00 O ATOM 1283 CB ARG T 84 8.911 8.641 -5.112 1.00 0.00 C ATOM 1284 CG ARG T 84 9.045 8.583 -3.599 1.00 0.00 C ATOM 1285 CD ARG T 84 10.497 8.670 -3.158 1.00 0.00 C ATOM 1286 NE ARG T 84 10.651 9.424 -1.918 1.00 0.00 N ATOM 1287 CZ ARG T 84 11.755 10.087 -1.590 1.00 0.00 C ATOM 1288 NH1 ARG T 84 12.799 10.088 -2.409 1.00 0.00 N ATOM 1289 NH2 ARG T 84 11.819 10.751 -0.445 1.00 0.00 N ATOM 0 H ARG T 84 11.067 7.562 -5.659 1.00 0.00 H new ATOM 0 HA ARG T 84 8.447 6.545 -5.188 1.00 0.00 H new ATOM 0 HB2 ARG T 84 9.694 9.284 -5.513 1.00 0.00 H new ATOM 0 HB3 ARG T 84 7.957 9.103 -5.367 1.00 0.00 H new ATOM 0 HG2 ARG T 84 8.480 9.401 -3.152 1.00 0.00 H new ATOM 0 HG3 ARG T 84 8.608 7.655 -3.231 1.00 0.00 H new ATOM 0 HD2 ARG T 84 10.895 7.664 -3.022 1.00 0.00 H new ATOM 0 HD3 ARG T 84 11.086 9.142 -3.944 1.00 0.00 H new ATOM 0 HE ARG T 84 9.867 9.443 -1.266 1.00 0.00 H new ATOM 0 HH11 ARG T 84 12.755 9.579 -3.292 1.00 0.00 H new ATOM 0 HH12 ARG T 84 13.646 10.597 -2.156 1.00 0.00 H new ATOM 0 HH21 ARG T 84 11.019 10.754 0.188 1.00 0.00 H new ATOM 0 HH22 ARG T 84 12.668 11.259 -0.197 1.00 0.00 H new ATOM 1303 N SER T 85 9.159 7.010 -8.190 1.00 0.00 N ATOM 1304 CA SER T 85 8.683 7.024 -9.568 1.00 0.00 C ATOM 1305 C SER T 85 8.313 5.617 -10.024 1.00 0.00 C ATOM 1306 O SER T 85 7.941 5.405 -11.179 1.00 0.00 O ATOM 1307 CB SER T 85 9.753 7.609 -10.493 1.00 0.00 C ATOM 1308 OG SER T 85 10.264 6.621 -11.372 1.00 0.00 O ATOM 0 H SER T 85 10.136 6.736 -8.085 1.00 0.00 H new ATOM 0 HA SER T 85 7.792 7.650 -9.615 1.00 0.00 H new ATOM 0 HB2 SER T 85 9.329 8.430 -11.071 1.00 0.00 H new ATOM 0 HB3 SER T 85 10.565 8.025 -9.897 1.00 0.00 H new ATOM 0 HG SER T 85 9.522 6.184 -11.839 1.00 0.00 H new ATOM 1314 N GLU T 86 8.414 4.658 -9.109 1.00 0.00 N ATOM 1315 CA GLU T 86 8.089 3.271 -9.414 1.00 0.00 C ATOM 1316 C GLU T 86 6.609 3.123 -9.743 1.00 0.00 C ATOM 1317 O GLU T 86 5.896 4.115 -9.897 1.00 0.00 O ATOM 1318 CB GLU T 86 8.456 2.371 -8.234 1.00 0.00 C ATOM 1319 CG GLU T 86 9.896 1.887 -8.265 1.00 0.00 C ATOM 1320 CD GLU T 86 10.028 0.484 -8.823 1.00 0.00 C ATOM 1321 OE1 GLU T 86 9.384 0.191 -9.853 1.00 0.00 O ATOM 1322 OE2 GLU T 86 10.773 -0.323 -8.230 1.00 0.00 O ATOM 0 H GLU T 86 8.719 4.818 -8.149 1.00 0.00 H new ATOM 0 HA GLU T 86 8.668 2.968 -10.286 1.00 0.00 H new ATOM 0 HB2 GLU T 86 8.284 2.915 -7.305 1.00 0.00 H new ATOM 0 HB3 GLU T 86 7.791 1.507 -8.225 1.00 0.00 H new ATOM 0 HG2 GLU T 86 10.492 2.571 -8.868 1.00 0.00 H new ATOM 0 HG3 GLU T 86 10.306 1.912 -7.255 1.00 0.00 H new ATOM 1329 N ARG T 87 6.149 1.882 -9.852 1.00 0.00 N ATOM 1330 CA ARG T 87 4.750 1.621 -10.165 1.00 0.00 C ATOM 1331 C ARG T 87 4.174 0.516 -9.287 1.00 0.00 C ATOM 1332 O ARG T 87 4.547 -0.650 -9.406 1.00 0.00 O ATOM 1333 CB ARG T 87 4.591 1.245 -11.635 1.00 0.00 C ATOM 1334 CG ARG T 87 5.633 0.259 -12.134 1.00 0.00 C ATOM 1335 CD ARG T 87 5.022 -1.099 -12.442 1.00 0.00 C ATOM 1336 NE ARG T 87 4.837 -1.300 -13.876 1.00 0.00 N ATOM 1337 CZ ARG T 87 5.524 -2.186 -14.591 1.00 0.00 C ATOM 1338 NH1 ARG T 87 6.438 -2.947 -14.004 1.00 0.00 N ATOM 1339 NH2 ARG T 87 5.299 -2.310 -15.892 1.00 0.00 N ATOM 0 H ARG T 87 6.720 1.046 -9.729 1.00 0.00 H new ATOM 0 HA ARG T 87 4.196 2.538 -9.965 1.00 0.00 H new ATOM 0 HB2 ARG T 87 3.599 0.818 -11.786 1.00 0.00 H new ATOM 0 HB3 ARG T 87 4.643 2.151 -12.239 1.00 0.00 H new ATOM 0 HG2 ARG T 87 6.109 0.656 -13.031 1.00 0.00 H new ATOM 0 HG3 ARG T 87 6.414 0.144 -11.383 1.00 0.00 H new ATOM 0 HD2 ARG T 87 5.665 -1.885 -12.045 1.00 0.00 H new ATOM 0 HD3 ARG T 87 4.061 -1.188 -11.936 1.00 0.00 H new ATOM 0 HE ARG T 87 4.142 -0.729 -14.356 1.00 0.00 H new ATOM 0 HH11 ARG T 87 6.614 -2.853 -13.004 1.00 0.00 H new ATOM 0 HH12 ARG T 87 6.965 -3.627 -14.553 1.00 0.00 H new ATOM 0 HH21 ARG T 87 4.598 -1.725 -16.346 1.00 0.00 H new ATOM 0 HH22 ARG T 87 5.827 -2.990 -16.438 1.00 0.00 H new ATOM 1353 N TRP T 88 3.247 0.902 -8.421 1.00 0.00 N ATOM 1354 CA TRP T 88 2.580 -0.032 -7.517 1.00 0.00 C ATOM 1355 C TRP T 88 1.221 0.523 -7.111 1.00 0.00 C ATOM 1356 O TRP T 88 0.818 1.593 -7.567 1.00 0.00 O ATOM 1357 CB TRP T 88 3.418 -0.283 -6.258 1.00 0.00 C ATOM 1358 CG TRP T 88 4.896 -0.278 -6.491 1.00 0.00 C ATOM 1359 CD1 TRP T 88 5.757 0.751 -6.249 1.00 0.00 C ATOM 1360 CD2 TRP T 88 5.691 -1.356 -7.000 1.00 0.00 C ATOM 1361 NE1 TRP T 88 7.039 0.383 -6.581 1.00 0.00 N ATOM 1362 CE2 TRP T 88 7.024 -0.906 -7.044 1.00 0.00 C ATOM 1363 CE3 TRP T 88 5.406 -2.658 -7.425 1.00 0.00 C ATOM 1364 CZ2 TRP T 88 8.068 -1.711 -7.495 1.00 0.00 C ATOM 1365 CZ3 TRP T 88 6.442 -3.455 -7.871 1.00 0.00 C ATOM 1366 CH2 TRP T 88 7.759 -2.980 -7.903 1.00 0.00 C ATOM 0 H TRP T 88 2.935 1.868 -8.323 1.00 0.00 H new ATOM 0 HA TRP T 88 2.455 -0.977 -8.045 1.00 0.00 H new ATOM 0 HB2 TRP T 88 3.176 0.479 -5.517 1.00 0.00 H new ATOM 0 HB3 TRP T 88 3.132 -1.245 -5.831 1.00 0.00 H new ATOM 0 HD1 TRP T 88 5.473 1.715 -5.854 1.00 0.00 H new ATOM 0 HE1 TRP T 88 7.866 0.973 -6.496 1.00 0.00 H new ATOM 0 HE3 TRP T 88 4.394 -3.033 -7.405 1.00 0.00 H new ATOM 0 HZ2 TRP T 88 9.084 -1.347 -7.522 1.00 0.00 H new ATOM 0 HZ3 TRP T 88 6.233 -4.462 -8.201 1.00 0.00 H new ATOM 0 HH2 TRP T 88 8.547 -3.628 -8.257 1.00 0.00 H new ATOM 1377 N ASP T 89 0.526 -0.197 -6.241 1.00 0.00 N ATOM 1378 CA ASP T 89 -0.777 0.241 -5.768 1.00 0.00 C ATOM 1379 C ASP T 89 -0.617 1.333 -4.717 1.00 0.00 C ATOM 1380 O ASP T 89 0.489 1.813 -4.468 1.00 0.00 O ATOM 1381 CB ASP T 89 -1.552 -0.939 -5.186 1.00 0.00 C ATOM 1382 CG ASP T 89 -1.265 -2.231 -5.926 1.00 0.00 C ATOM 1383 OD1 ASP T 89 -0.094 -2.663 -5.934 1.00 0.00 O ATOM 1384 OD2 ASP T 89 -2.214 -2.810 -6.496 1.00 0.00 O ATOM 0 H ASP T 89 0.843 -1.084 -5.850 1.00 0.00 H new ATOM 0 HA ASP T 89 -1.336 0.646 -6.612 1.00 0.00 H new ATOM 0 HB2 ASP T 89 -1.293 -1.059 -4.134 1.00 0.00 H new ATOM 0 HB3 ASP T 89 -2.620 -0.727 -5.229 1.00 0.00 H new ATOM 1389 N ALA T 90 -1.725 1.724 -4.102 1.00 0.00 N ATOM 1390 CA ALA T 90 -1.699 2.763 -3.084 1.00 0.00 C ATOM 1391 C ALA T 90 -2.640 2.431 -1.929 1.00 0.00 C ATOM 1392 O ALA T 90 -3.789 2.046 -2.146 1.00 0.00 O ATOM 1393 CB ALA T 90 -2.075 4.103 -3.696 1.00 0.00 C ATOM 0 H ALA T 90 -2.650 1.338 -4.290 1.00 0.00 H new ATOM 0 HA ALA T 90 -0.686 2.821 -2.687 1.00 0.00 H new ATOM 0 HB1 ALA T 90 -2.053 4.874 -2.926 1.00 0.00 H new ATOM 0 HB2 ALA T 90 -1.365 4.356 -4.483 1.00 0.00 H new ATOM 0 HB3 ALA T 90 -3.078 4.041 -4.119 1.00 0.00 H new ATOM 1399 N TYR T 91 -2.150 2.589 -0.704 1.00 0.00 N ATOM 1400 CA TYR T 91 -2.951 2.316 0.480 1.00 0.00 C ATOM 1401 C TYR T 91 -3.542 3.608 1.032 1.00 0.00 C ATOM 1402 O TYR T 91 -2.809 4.506 1.446 1.00 0.00 O ATOM 1403 CB TYR T 91 -2.099 1.632 1.548 1.00 0.00 C ATOM 1404 CG TYR T 91 -1.851 0.163 1.292 1.00 0.00 C ATOM 1405 CD1 TYR T 91 -2.888 -0.761 1.336 1.00 0.00 C ATOM 1406 CD2 TYR T 91 -0.574 -0.299 1.000 1.00 0.00 C ATOM 1407 CE1 TYR T 91 -2.659 -2.101 1.095 1.00 0.00 C ATOM 1408 CE2 TYR T 91 -0.338 -1.639 0.758 1.00 0.00 C ATOM 1409 CZ TYR T 91 -1.383 -2.535 0.806 1.00 0.00 C ATOM 1410 OH TYR T 91 -1.152 -3.868 0.561 1.00 0.00 O ATOM 0 H TYR T 91 -1.201 2.905 -0.507 1.00 0.00 H new ATOM 0 HA TYR T 91 -3.767 1.650 0.199 1.00 0.00 H new ATOM 0 HB2 TYR T 91 -1.140 2.145 1.616 1.00 0.00 H new ATOM 0 HB3 TYR T 91 -2.589 1.744 2.515 1.00 0.00 H new ATOM 0 HD1 TYR T 91 -3.889 -0.425 1.562 1.00 0.00 H new ATOM 0 HD2 TYR T 91 0.248 0.400 0.961 1.00 0.00 H new ATOM 0 HE1 TYR T 91 -3.476 -2.806 1.133 1.00 0.00 H new ATOM 0 HE2 TYR T 91 0.661 -1.982 0.532 1.00 0.00 H new ATOM 0 HH TYR T 91 -0.698 -3.968 -0.301 1.00 0.00 H new ATOM 1420 N CYS T 92 -4.866 3.701 1.034 1.00 0.00 N ATOM 1421 CA CYS T 92 -5.541 4.893 1.535 1.00 0.00 C ATOM 1422 C CYS T 92 -5.889 4.739 3.011 1.00 0.00 C ATOM 1423 O CYS T 92 -6.048 3.626 3.510 1.00 0.00 O ATOM 1424 CB CYS T 92 -6.808 5.172 0.727 1.00 0.00 C ATOM 1425 SG CYS T 92 -7.368 6.906 0.786 1.00 0.00 S ATOM 0 H CYS T 92 -5.492 2.970 0.696 1.00 0.00 H new ATOM 0 HA CYS T 92 -4.859 5.736 1.425 1.00 0.00 H new ATOM 0 HB2 CYS T 92 -6.631 4.895 -0.312 1.00 0.00 H new ATOM 0 HB3 CYS T 92 -7.609 4.531 1.096 1.00 0.00 H new ATOM 1430 N TYR T 93 -6.003 5.867 3.702 1.00 0.00 N ATOM 1431 CA TYR T 93 -6.331 5.865 5.121 1.00 0.00 C ATOM 1432 C TYR T 93 -7.112 7.118 5.498 1.00 0.00 C ATOM 1433 O TYR T 93 -6.586 8.229 5.441 1.00 0.00 O ATOM 1434 CB TYR T 93 -5.053 5.778 5.956 1.00 0.00 C ATOM 1435 CG TYR T 93 -5.312 5.696 7.443 1.00 0.00 C ATOM 1436 CD1 TYR T 93 -5.820 6.785 8.140 1.00 0.00 C ATOM 1437 CD2 TYR T 93 -5.048 4.531 8.147 1.00 0.00 C ATOM 1438 CE1 TYR T 93 -6.058 6.714 9.499 1.00 0.00 C ATOM 1439 CE2 TYR T 93 -5.283 4.450 9.507 1.00 0.00 C ATOM 1440 CZ TYR T 93 -5.787 5.544 10.179 1.00 0.00 C ATOM 1441 OH TYR T 93 -6.023 5.468 11.532 1.00 0.00 O ATOM 0 H TYR T 93 -5.873 6.796 3.301 1.00 0.00 H new ATOM 0 HA TYR T 93 -6.954 4.994 5.326 1.00 0.00 H new ATOM 0 HB2 TYR T 93 -4.484 4.902 5.645 1.00 0.00 H new ATOM 0 HB3 TYR T 93 -4.433 6.651 5.750 1.00 0.00 H new ATOM 0 HD1 TYR T 93 -6.032 7.702 7.611 1.00 0.00 H new ATOM 0 HD2 TYR T 93 -4.652 3.673 7.624 1.00 0.00 H new ATOM 0 HE1 TYR T 93 -6.454 7.569 10.026 1.00 0.00 H new ATOM 0 HE2 TYR T 93 -5.073 3.535 10.041 1.00 0.00 H new ATOM 0 HH TYR T 93 -5.780 4.576 11.857 1.00 0.00 H new ATOM 1451 N ASN T 94 -8.367 6.932 5.887 1.00 0.00 N ATOM 1452 CA ASN T 94 -9.218 8.048 6.279 1.00 0.00 C ATOM 1453 C ASN T 94 -9.880 7.776 7.624 1.00 0.00 C ATOM 1454 O ASN T 94 -9.888 6.644 8.107 1.00 0.00 O ATOM 1455 CB ASN T 94 -10.303 8.297 5.231 1.00 0.00 C ATOM 1456 CG ASN T 94 -9.765 8.373 3.819 1.00 0.00 C ATOM 1457 OD1 ASN T 94 -8.570 8.200 3.581 1.00 0.00 O ATOM 1458 ND2 ASN T 94 -10.655 8.638 2.872 1.00 0.00 N ATOM 0 H ASN T 94 -8.818 6.019 5.939 1.00 0.00 H new ATOM 0 HA ASN T 94 -8.585 8.931 6.360 1.00 0.00 H new ATOM 0 HB2 ASN T 94 -11.043 7.499 5.288 1.00 0.00 H new ATOM 0 HB3 ASN T 94 -10.819 9.228 5.466 1.00 0.00 H new ATOM 0 HD21 ASN T 94 -10.359 8.706 1.898 1.00 0.00 H new ATOM 0 HD22 ASN T 94 -11.636 8.774 3.117 1.00 0.00 H new