USER MOD reduce.3.24.130724 H: found=0, std=0, add=550, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 543 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 46 CYS SG : rot 128:sc= 0.42 USER MOD Set 1.2: A 52 CYS SG : rot 147:sc= -1.09! USER MOD Set 1.3: A 62 CYS SG : rot -159:sc= 1.09 USER MOD Set 1.4: A 65 CYS SG : rot 141:sc= 0.518 USER MOD Set 2.1: A 37 SER OG : rot 85:sc= 1.44 USER MOD Set 2.2: A 44 TYR OH : rot -179:sc= 0.362 USER MOD Set 3.1: A 10 CYS SG : rot 20:sc= 1.08 USER MOD Set 3.2: A 13 CYS SG : rot -43:sc= 1.97 USER MOD Set 3.3: A 27 CYS SG : rot -130:sc= 1.52 USER MOD Set 3.4: A 30 CYS SG : rot 138:sc= 0.198 USER MOD Set 3.5: A 56 GLN : amide:sc= -2.74! C(o=2!,f=2.7!) USER MOD Set 4.1: A 26 THR OG1 : rot 22:sc= -0.0881 USER MOD Set 4.2: A 75 MET CE :methyl -149:sc= -2.43! (180deg=-3.1) USER MOD Single : A 16 LYS NZ :NH3+ -126:sc= -0.25 (180deg=-1.64!) USER MOD Single : A 17 SER OG : rot 47:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ -147:sc= 0.00123 (180deg=0) USER MOD Single : A 21 HIS : no HD1:sc= -0.0154 X(o=-0.015,f=-0.049) USER MOD Single : A 22 TYR OH : rot 180:sc= -0.31 USER MOD Single : A 24 GLN : amide:sc= -1.31 K(o=-1.3,f=-0.32) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=0.17) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.356 X(o=-0.36,f=0) USER MOD Single : A 51 ASN : amide:sc= -2.68! C(o=-2.7!,f=-2.5!) USER MOD Single : A 63 GLN : amide:sc= -0.0532 X(o=-0.053,f=0) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.336) USER MOD Single : A 69 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.225) USER MOD Single : A 70 CYS SG : rot -88:sc= -0.907 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N ILE A 8 -6.760 15.257 2.925 1.00 0.00 N ATOM 67 CA ILE A 8 -6.298 14.194 3.810 1.00 0.00 C ATOM 68 C ILE A 8 -5.091 13.473 3.220 1.00 0.00 C ATOM 69 O ILE A 8 -4.937 13.395 2.001 1.00 0.00 O ATOM 70 CB ILE A 8 -7.411 13.167 4.085 1.00 0.00 C ATOM 71 CG1 ILE A 8 -8.743 13.879 4.333 1.00 0.00 C ATOM 72 CG2 ILE A 8 -7.043 12.292 5.274 1.00 0.00 C ATOM 73 CD1 ILE A 8 -9.942 12.959 4.268 1.00 0.00 C ATOM 0 HA ILE A 8 -6.012 14.668 4.749 1.00 0.00 H new ATOM 0 HB ILE A 8 -7.520 12.528 3.208 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -8.714 14.356 5.313 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -8.864 14.673 3.596 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -7.840 11.571 5.456 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -6.115 11.761 5.062 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -6.910 12.916 6.158 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -10.851 13.532 4.453 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -9.997 12.502 3.280 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -9.844 12.180 5.024 1.00 0.00 H new ATOM 85 N GLU A 9 -4.238 12.946 4.092 1.00 0.00 N ATOM 86 CA GLU A 9 -3.044 12.231 3.656 1.00 0.00 C ATOM 87 C GLU A 9 -3.193 10.731 3.895 1.00 0.00 C ATOM 88 O GLU A 9 -4.082 10.291 4.625 1.00 0.00 O ATOM 89 CB GLU A 9 -1.810 12.756 4.393 1.00 0.00 C ATOM 90 CG GLU A 9 -1.481 14.204 4.072 1.00 0.00 C ATOM 91 CD GLU A 9 -2.276 15.183 4.915 1.00 0.00 C ATOM 92 OE1 GLU A 9 -2.665 14.816 6.043 1.00 0.00 O ATOM 93 OE2 GLU A 9 -2.508 16.317 4.445 1.00 0.00 O ATOM 0 H GLU A 9 -4.351 13.000 5.104 1.00 0.00 H new ATOM 0 HA GLU A 9 -2.919 12.402 2.587 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -1.969 12.658 5.467 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -0.953 12.132 4.139 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -0.416 14.375 4.231 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -1.680 14.393 3.017 1.00 0.00 H new ATOM 100 N CYS A 10 -2.316 9.949 3.273 1.00 0.00 N ATOM 101 CA CYS A 10 -2.348 8.499 3.415 1.00 0.00 C ATOM 102 C CYS A 10 -1.711 8.067 4.734 1.00 0.00 C ATOM 103 O CYS A 10 -0.561 8.400 5.018 1.00 0.00 O ATOM 104 CB CYS A 10 -1.621 7.834 2.244 1.00 0.00 C ATOM 105 SG CYS A 10 -1.706 6.015 2.252 1.00 0.00 S ATOM 0 H CYS A 10 -1.574 10.296 2.665 1.00 0.00 H new ATOM 0 HA CYS A 10 -3.391 8.182 3.414 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -2.046 8.203 1.310 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -0.574 8.138 2.260 1.00 0.00 H new ATOM 0 HG CYS A 10 -2.700 5.630 2.996 1.00 0.00 H new ATOM 110 N VAL A 11 -2.468 7.323 5.534 1.00 0.00 N ATOM 111 CA VAL A 11 -1.978 6.844 6.821 1.00 0.00 C ATOM 112 C VAL A 11 -0.995 5.694 6.642 1.00 0.00 C ATOM 113 O VAL A 11 -0.570 5.068 7.613 1.00 0.00 O ATOM 114 CB VAL A 11 -3.136 6.380 7.725 1.00 0.00 C ATOM 115 CG1 VAL A 11 -4.046 7.549 8.071 1.00 0.00 C ATOM 116 CG2 VAL A 11 -3.921 5.264 7.052 1.00 0.00 C ATOM 0 H VAL A 11 -3.423 7.039 5.314 1.00 0.00 H new ATOM 0 HA VAL A 11 -1.468 7.682 7.297 1.00 0.00 H new ATOM 0 HB VAL A 11 -2.716 5.991 8.653 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -4.858 7.201 8.710 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -3.473 8.313 8.596 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -4.460 7.971 7.155 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -4.735 4.948 7.704 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -4.331 5.625 6.109 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -3.260 4.419 6.861 1.00 0.00 H new ATOM 126 N VAL A 12 -0.635 5.419 5.392 1.00 0.00 N ATOM 127 CA VAL A 12 0.300 4.344 5.084 1.00 0.00 C ATOM 128 C VAL A 12 1.617 4.897 4.551 1.00 0.00 C ATOM 129 O VAL A 12 2.686 4.612 5.091 1.00 0.00 O ATOM 130 CB VAL A 12 -0.289 3.367 4.049 1.00 0.00 C ATOM 131 CG1 VAL A 12 0.720 2.283 3.702 1.00 0.00 C ATOM 132 CG2 VAL A 12 -1.582 2.756 4.570 1.00 0.00 C ATOM 0 H VAL A 12 -0.977 5.926 4.576 1.00 0.00 H new ATOM 0 HA VAL A 12 0.484 3.808 6.015 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.516 3.922 3.139 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.286 1.603 2.970 1.00 0.00 H new ATOM 0 HG12 VAL A 12 1.617 2.741 3.285 1.00 0.00 H new ATOM 0 HG13 VAL A 12 0.982 1.728 4.603 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -1.985 2.068 3.827 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -1.382 2.214 5.495 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -2.307 3.547 4.763 1.00 0.00 H new ATOM 142 N CYS A 13 1.533 5.691 3.489 1.00 0.00 N ATOM 143 CA CYS A 13 2.718 6.285 2.882 1.00 0.00 C ATOM 144 C CYS A 13 2.731 7.798 3.083 1.00 0.00 C ATOM 145 O CYS A 13 3.765 8.446 2.929 1.00 0.00 O ATOM 146 CB CYS A 13 2.770 5.958 1.388 1.00 0.00 C ATOM 147 SG CYS A 13 1.327 6.548 0.446 1.00 0.00 S ATOM 0 H CYS A 13 0.656 5.938 3.031 1.00 0.00 H new ATOM 0 HA CYS A 13 3.596 5.863 3.370 1.00 0.00 H new ATOM 0 HB2 CYS A 13 3.672 6.397 0.962 1.00 0.00 H new ATOM 0 HB3 CYS A 13 2.853 4.878 1.266 1.00 0.00 H new ATOM 0 HG CYS A 13 0.241 6.298 1.115 1.00 0.00 H new ATOM 152 N GLY A 14 1.573 8.354 3.428 1.00 0.00 N ATOM 153 CA GLY A 14 1.473 9.785 3.644 1.00 0.00 C ATOM 154 C GLY A 14 0.973 10.523 2.419 1.00 0.00 C ATOM 155 O GLY A 14 0.723 11.728 2.470 1.00 0.00 O ATOM 0 H GLY A 14 0.703 7.839 3.562 1.00 0.00 H new ATOM 0 HA2 GLY A 14 0.800 9.977 4.480 1.00 0.00 H new ATOM 0 HA3 GLY A 14 2.451 10.176 3.926 1.00 0.00 H new ATOM 159 N ASP A 15 0.828 9.801 1.313 1.00 0.00 N ATOM 160 CA ASP A 15 0.354 10.395 0.068 1.00 0.00 C ATOM 161 C ASP A 15 -1.063 10.935 0.229 1.00 0.00 C ATOM 162 O ASP A 15 -1.900 10.325 0.895 1.00 0.00 O ATOM 163 CB ASP A 15 0.396 9.365 -1.061 1.00 0.00 C ATOM 164 CG ASP A 15 0.015 9.961 -2.402 1.00 0.00 C ATOM 165 OD1 ASP A 15 0.613 10.987 -2.787 1.00 0.00 O ATOM 166 OD2 ASP A 15 -0.880 9.400 -3.067 1.00 0.00 O ATOM 0 H ASP A 15 1.032 8.803 1.253 1.00 0.00 H new ATOM 0 HA ASP A 15 1.013 11.226 -0.184 1.00 0.00 H new ATOM 0 HB2 ASP A 15 1.399 8.942 -1.126 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -0.282 8.544 -0.826 1.00 0.00 H new ATOM 171 N LYS A 16 -1.327 12.083 -0.386 1.00 0.00 N ATOM 172 CA LYS A 16 -2.643 12.707 -0.313 1.00 0.00 C ATOM 173 C LYS A 16 -3.745 11.680 -0.549 1.00 0.00 C ATOM 174 O LYS A 16 -3.978 11.255 -1.681 1.00 0.00 O ATOM 175 CB LYS A 16 -2.753 13.835 -1.341 1.00 0.00 C ATOM 176 CG LYS A 16 -3.743 14.919 -0.950 1.00 0.00 C ATOM 177 CD LYS A 16 -3.201 15.791 0.171 1.00 0.00 C ATOM 178 CE LYS A 16 -2.304 16.896 -0.366 1.00 0.00 C ATOM 179 NZ LYS A 16 -0.884 16.458 -0.466 1.00 0.00 N ATOM 0 H LYS A 16 -0.646 12.601 -0.941 1.00 0.00 H new ATOM 0 HA LYS A 16 -2.766 13.123 0.687 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.770 14.285 -1.481 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -3.050 13.413 -2.301 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -3.967 15.539 -1.818 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -4.680 14.461 -0.635 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -4.031 16.231 0.724 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -2.640 15.175 0.874 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -2.659 17.206 -1.349 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.370 17.767 0.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -0.277 17.129 0.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -0.783 15.511 -0.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -0.599 16.429 -1.466 1.00 0.00 H new ATOM 193 N SER A 17 -4.422 11.286 0.525 1.00 0.00 N ATOM 194 CA SER A 17 -5.499 10.307 0.434 1.00 0.00 C ATOM 195 C SER A 17 -6.650 10.843 -0.411 1.00 0.00 C ATOM 196 O SER A 17 -7.113 11.966 -0.210 1.00 0.00 O ATOM 197 CB SER A 17 -6.004 9.942 1.831 1.00 0.00 C ATOM 198 OG SER A 17 -7.255 9.280 1.765 1.00 0.00 O ATOM 0 H SER A 17 -4.244 11.630 1.469 1.00 0.00 H new ATOM 0 HA SER A 17 -5.104 9.412 -0.047 1.00 0.00 H new ATOM 0 HB2 SER A 17 -5.276 9.301 2.328 1.00 0.00 H new ATOM 0 HB3 SER A 17 -6.098 10.845 2.434 1.00 0.00 H new ATOM 0 HG SER A 17 -7.220 8.583 1.077 1.00 0.00 H new ATOM 204 N SER A 18 -7.107 10.031 -1.359 1.00 0.00 N ATOM 205 CA SER A 18 -8.202 10.424 -2.239 1.00 0.00 C ATOM 206 C SER A 18 -9.538 10.366 -1.503 1.00 0.00 C ATOM 207 O SER A 18 -10.503 11.020 -1.895 1.00 0.00 O ATOM 208 CB SER A 18 -8.245 9.516 -3.470 1.00 0.00 C ATOM 209 OG SER A 18 -8.987 10.114 -4.519 1.00 0.00 O ATOM 0 H SER A 18 -6.736 9.098 -1.537 1.00 0.00 H new ATOM 0 HA SER A 18 -8.028 11.451 -2.559 1.00 0.00 H new ATOM 0 HB2 SER A 18 -7.230 9.310 -3.810 1.00 0.00 H new ATOM 0 HB3 SER A 18 -8.692 8.558 -3.204 1.00 0.00 H new ATOM 0 HG SER A 18 -8.998 9.515 -5.294 1.00 0.00 H new ATOM 215 N GLY A 19 -9.584 9.577 -0.434 1.00 0.00 N ATOM 216 CA GLY A 19 -10.805 9.447 0.340 1.00 0.00 C ATOM 217 C GLY A 19 -10.766 8.267 1.290 1.00 0.00 C ATOM 218 O GLY A 19 -9.925 7.378 1.154 1.00 0.00 O ATOM 0 H GLY A 19 -8.798 9.026 -0.090 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -10.970 10.362 0.909 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -11.651 9.336 -0.338 1.00 0.00 H new ATOM 222 N LYS A 20 -11.677 8.258 2.257 1.00 0.00 N ATOM 223 CA LYS A 20 -11.744 7.179 3.236 1.00 0.00 C ATOM 224 C LYS A 20 -12.032 5.845 2.555 1.00 0.00 C ATOM 225 O LYS A 20 -13.135 5.614 2.060 1.00 0.00 O ATOM 226 CB LYS A 20 -12.825 7.475 4.278 1.00 0.00 C ATOM 227 CG LYS A 20 -12.942 6.408 5.353 1.00 0.00 C ATOM 228 CD LYS A 20 -12.030 6.703 6.532 1.00 0.00 C ATOM 229 CE LYS A 20 -12.705 7.616 7.544 1.00 0.00 C ATOM 230 NZ LYS A 20 -11.975 7.643 8.841 1.00 0.00 N ATOM 0 H LYS A 20 -12.380 8.986 2.384 1.00 0.00 H new ATOM 0 HA LYS A 20 -10.777 7.112 3.734 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -12.609 8.433 4.751 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -13.786 7.578 3.774 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -13.975 6.348 5.697 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -12.689 5.435 4.931 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -11.746 5.769 7.016 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -11.112 7.169 6.175 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -12.763 8.626 7.139 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -13.728 7.280 7.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -12.654 7.765 9.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -11.460 6.749 8.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -11.300 8.434 8.843 1.00 0.00 H new ATOM 244 N HIS A 21 -11.032 4.968 2.534 1.00 0.00 N ATOM 245 CA HIS A 21 -11.179 3.656 1.916 1.00 0.00 C ATOM 246 C HIS A 21 -10.944 2.545 2.936 1.00 0.00 C ATOM 247 O HIS A 21 -9.931 2.536 3.636 1.00 0.00 O ATOM 248 CB HIS A 21 -10.203 3.507 0.748 1.00 0.00 C ATOM 249 CG HIS A 21 -10.461 4.464 -0.374 1.00 0.00 C ATOM 250 ND1 HIS A 21 -11.721 4.712 -0.876 1.00 0.00 N ATOM 251 CD2 HIS A 21 -9.613 5.237 -1.091 1.00 0.00 C ATOM 252 CE1 HIS A 21 -11.636 5.596 -1.855 1.00 0.00 C ATOM 253 NE2 HIS A 21 -10.368 5.931 -2.005 1.00 0.00 N ATOM 0 H HIS A 21 -10.112 5.143 2.938 1.00 0.00 H new ATOM 0 HA HIS A 21 -12.199 3.571 1.541 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -9.187 3.654 1.114 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -10.260 2.488 0.366 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -8.542 5.297 -0.968 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -12.463 5.979 -2.434 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -10.007 6.597 -2.688 1.00 0.00 H new ATOM 261 N TYR A 22 -11.886 1.612 3.014 1.00 0.00 N ATOM 262 CA TYR A 22 -11.783 0.499 3.951 1.00 0.00 C ATOM 263 C TYR A 22 -11.858 0.991 5.393 1.00 0.00 C ATOM 264 O TYR A 22 -11.253 0.410 6.292 1.00 0.00 O ATOM 265 CB TYR A 22 -10.475 -0.263 3.728 1.00 0.00 C ATOM 266 CG TYR A 22 -10.289 -0.743 2.306 1.00 0.00 C ATOM 267 CD1 TYR A 22 -11.212 -1.594 1.712 1.00 0.00 C ATOM 268 CD2 TYR A 22 -9.189 -0.343 1.556 1.00 0.00 C ATOM 269 CE1 TYR A 22 -11.045 -2.036 0.414 1.00 0.00 C ATOM 270 CE2 TYR A 22 -9.015 -0.778 0.257 1.00 0.00 C ATOM 271 CZ TYR A 22 -9.945 -1.625 -0.310 1.00 0.00 C ATOM 272 OH TYR A 22 -9.776 -2.061 -1.604 1.00 0.00 O ATOM 0 H TYR A 22 -12.729 1.604 2.440 1.00 0.00 H new ATOM 0 HA TYR A 22 -12.623 -0.172 3.771 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -9.638 0.382 3.997 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -10.445 -1.121 4.399 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -12.076 -1.916 2.275 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -8.458 0.319 1.997 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -11.771 -2.700 -0.031 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -8.155 -0.457 -0.312 1.00 0.00 H new ATOM 0 HH TYR A 22 -8.952 -1.679 -1.973 1.00 0.00 H new ATOM 282 N GLY A 23 -12.608 2.069 5.605 1.00 0.00 N ATOM 283 CA GLY A 23 -12.751 2.622 6.939 1.00 0.00 C ATOM 284 C GLY A 23 -11.534 3.416 7.370 1.00 0.00 C ATOM 285 O GLY A 23 -11.377 3.732 8.549 1.00 0.00 O ATOM 0 H GLY A 23 -13.119 2.569 4.877 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -13.630 3.265 6.970 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -12.923 1.812 7.648 1.00 0.00 H new ATOM 289 N GLN A 24 -10.669 3.738 6.413 1.00 0.00 N ATOM 290 CA GLN A 24 -9.458 4.498 6.702 1.00 0.00 C ATOM 291 C GLN A 24 -9.019 5.304 5.485 1.00 0.00 C ATOM 292 O GLN A 24 -9.116 4.838 4.349 1.00 0.00 O ATOM 293 CB GLN A 24 -8.333 3.558 7.139 1.00 0.00 C ATOM 294 CG GLN A 24 -7.284 4.229 8.010 1.00 0.00 C ATOM 295 CD GLN A 24 -7.840 4.692 9.342 1.00 0.00 C ATOM 296 OE1 GLN A 24 -7.608 5.825 9.764 1.00 0.00 O ATOM 297 NE2 GLN A 24 -8.578 3.816 10.012 1.00 0.00 N ATOM 0 H GLN A 24 -10.784 3.485 5.432 1.00 0.00 H new ATOM 0 HA GLN A 24 -9.679 5.191 7.514 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -8.764 2.719 7.685 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -7.849 3.147 6.253 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -6.464 3.533 8.185 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -6.868 5.084 7.477 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -8.745 2.887 9.624 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -8.979 4.071 10.915 1.00 0.00 H new ATOM 306 N PHE A 25 -8.535 6.518 5.728 1.00 0.00 N ATOM 307 CA PHE A 25 -8.082 7.391 4.652 1.00 0.00 C ATOM 308 C PHE A 25 -6.738 6.923 4.102 1.00 0.00 C ATOM 309 O PHE A 25 -5.716 6.990 4.786 1.00 0.00 O ATOM 310 CB PHE A 25 -7.968 8.833 5.150 1.00 0.00 C ATOM 311 CG PHE A 25 -9.296 9.499 5.368 1.00 0.00 C ATOM 312 CD1 PHE A 25 -10.045 9.949 4.293 1.00 0.00 C ATOM 313 CD2 PHE A 25 -9.795 9.675 6.648 1.00 0.00 C ATOM 314 CE1 PHE A 25 -11.269 10.562 4.490 1.00 0.00 C ATOM 315 CE2 PHE A 25 -11.018 10.287 6.852 1.00 0.00 C ATOM 316 CZ PHE A 25 -11.755 10.732 5.772 1.00 0.00 C ATOM 0 H PHE A 25 -8.447 6.919 6.662 1.00 0.00 H new ATOM 0 HA PHE A 25 -8.818 7.349 3.849 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -7.408 8.843 6.085 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -7.394 9.414 4.428 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -9.669 9.820 3.289 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -9.222 9.330 7.496 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -11.844 10.907 3.643 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -11.397 10.417 7.855 1.00 0.00 H new ATOM 0 HZ PHE A 25 -12.710 11.212 5.929 1.00 0.00 H new ATOM 326 N THR A 26 -6.746 6.447 2.860 1.00 0.00 N ATOM 327 CA THR A 26 -5.530 5.966 2.218 1.00 0.00 C ATOM 328 C THR A 26 -5.527 6.295 0.729 1.00 0.00 C ATOM 329 O THR A 26 -6.552 6.184 0.056 1.00 0.00 O ATOM 330 CB THR A 26 -5.365 4.445 2.396 1.00 0.00 C ATOM 331 OG1 THR A 26 -6.526 3.765 1.905 1.00 0.00 O ATOM 332 CG2 THR A 26 -5.145 4.092 3.859 1.00 0.00 C ATOM 0 H THR A 26 -7.582 6.385 2.279 1.00 0.00 H new ATOM 0 HA THR A 26 -4.695 6.474 2.701 1.00 0.00 H new ATOM 0 HB THR A 26 -4.491 4.128 1.827 1.00 0.00 H new ATOM 0 HG1 THR A 26 -6.995 4.339 1.264 1.00 0.00 H new ATOM 0 HG21 THR A 26 -5.031 3.013 3.960 1.00 0.00 H new ATOM 0 HG22 THR A 26 -4.244 4.587 4.221 1.00 0.00 H new ATOM 0 HG23 THR A 26 -6.002 4.423 4.446 1.00 0.00 H new ATOM 340 N CYS A 27 -4.368 6.700 0.220 1.00 0.00 N ATOM 341 CA CYS A 27 -4.231 7.046 -1.190 1.00 0.00 C ATOM 342 C CYS A 27 -4.674 5.887 -2.079 1.00 0.00 C ATOM 343 O CYS A 27 -4.880 4.771 -1.604 1.00 0.00 O ATOM 344 CB CYS A 27 -2.782 7.422 -1.505 1.00 0.00 C ATOM 345 SG CYS A 27 -1.625 6.015 -1.469 1.00 0.00 S ATOM 0 H CYS A 27 -3.510 6.797 0.763 1.00 0.00 H new ATOM 0 HA CYS A 27 -4.873 7.903 -1.394 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -2.744 7.885 -2.491 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -2.448 8.172 -0.788 1.00 0.00 H new ATOM 0 HG CYS A 27 -0.600 6.315 -0.728 1.00 0.00 H new ATOM 350 N GLU A 28 -4.816 6.162 -3.372 1.00 0.00 N ATOM 351 CA GLU A 28 -5.234 5.143 -4.327 1.00 0.00 C ATOM 352 C GLU A 28 -4.140 4.097 -4.521 1.00 0.00 C ATOM 353 O GLU A 28 -4.402 2.987 -4.981 1.00 0.00 O ATOM 354 CB GLU A 28 -5.585 5.785 -5.671 1.00 0.00 C ATOM 355 CG GLU A 28 -6.729 6.782 -5.589 1.00 0.00 C ATOM 356 CD GLU A 28 -7.121 7.333 -6.947 1.00 0.00 C ATOM 357 OE1 GLU A 28 -7.935 6.686 -7.638 1.00 0.00 O ATOM 358 OE2 GLU A 28 -6.613 8.412 -7.318 1.00 0.00 O ATOM 0 H GLU A 28 -4.648 7.081 -3.782 1.00 0.00 H new ATOM 0 HA GLU A 28 -6.119 4.648 -3.927 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -4.702 6.289 -6.065 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.848 5.001 -6.381 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.594 6.300 -5.133 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -6.442 7.606 -4.936 1.00 0.00 H new ATOM 365 N GLY A 29 -2.911 4.462 -4.167 1.00 0.00 N ATOM 366 CA GLY A 29 -1.795 3.546 -4.309 1.00 0.00 C ATOM 367 C GLY A 29 -1.827 2.429 -3.285 1.00 0.00 C ATOM 368 O GLY A 29 -1.518 1.279 -3.599 1.00 0.00 O ATOM 0 H GLY A 29 -2.669 5.376 -3.784 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -1.807 3.117 -5.311 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.861 4.099 -4.210 1.00 0.00 H new ATOM 372 N CYS A 30 -2.201 2.767 -2.055 1.00 0.00 N ATOM 373 CA CYS A 30 -2.271 1.785 -0.980 1.00 0.00 C ATOM 374 C CYS A 30 -3.634 1.101 -0.955 1.00 0.00 C ATOM 375 O CYS A 30 -3.750 -0.065 -0.576 1.00 0.00 O ATOM 376 CB CYS A 30 -2.000 2.456 0.369 1.00 0.00 C ATOM 377 SG CYS A 30 -0.355 3.228 0.498 1.00 0.00 S ATOM 0 H CYS A 30 -2.460 3.714 -1.778 1.00 0.00 H new ATOM 0 HA CYS A 30 -1.508 1.028 -1.163 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -2.761 3.216 0.544 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -2.104 1.713 1.160 1.00 0.00 H new ATOM 0 HG CYS A 30 -0.462 4.380 1.091 1.00 0.00 H new ATOM 382 N LYS A 31 -4.665 1.834 -1.363 1.00 0.00 N ATOM 383 CA LYS A 31 -6.021 1.299 -1.390 1.00 0.00 C ATOM 384 C LYS A 31 -6.083 0.014 -2.209 1.00 0.00 C ATOM 385 O LYS A 31 -6.575 -1.011 -1.737 1.00 0.00 O ATOM 386 CB LYS A 31 -6.988 2.334 -1.971 1.00 0.00 C ATOM 387 CG LYS A 31 -8.368 1.775 -2.270 1.00 0.00 C ATOM 388 CD LYS A 31 -9.019 2.496 -3.439 1.00 0.00 C ATOM 389 CE LYS A 31 -8.358 2.128 -4.759 1.00 0.00 C ATOM 390 NZ LYS A 31 -8.991 2.829 -5.910 1.00 0.00 N ATOM 0 H LYS A 31 -4.587 2.800 -1.680 1.00 0.00 H new ATOM 0 HA LYS A 31 -6.315 1.070 -0.366 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -7.085 3.163 -1.270 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -6.563 2.741 -2.889 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -8.290 0.711 -2.495 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -8.999 1.869 -1.386 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -10.079 2.244 -3.479 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -8.953 3.573 -3.286 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -7.299 2.381 -4.718 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -8.423 1.050 -4.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -8.513 2.552 -6.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -9.996 2.568 -5.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -8.907 3.857 -5.779 1.00 0.00 H new ATOM 404 N SER A 32 -5.580 0.076 -3.437 1.00 0.00 N ATOM 405 CA SER A 32 -5.580 -1.083 -4.323 1.00 0.00 C ATOM 406 C SER A 32 -4.524 -2.096 -3.892 1.00 0.00 C ATOM 407 O SER A 32 -4.774 -3.302 -3.875 1.00 0.00 O ATOM 408 CB SER A 32 -5.326 -0.648 -5.767 1.00 0.00 C ATOM 409 OG SER A 32 -6.443 0.047 -6.295 1.00 0.00 O ATOM 0 H SER A 32 -5.167 0.916 -3.842 1.00 0.00 H new ATOM 0 HA SER A 32 -6.560 -1.557 -4.261 1.00 0.00 H new ATOM 0 HB2 SER A 32 -4.444 -0.009 -5.808 1.00 0.00 H new ATOM 0 HB3 SER A 32 -5.114 -1.523 -6.382 1.00 0.00 H new ATOM 0 HG SER A 32 -6.255 0.316 -7.218 1.00 0.00 H new ATOM 415 N PHE A 33 -3.342 -1.598 -3.544 1.00 0.00 N ATOM 416 CA PHE A 33 -2.247 -2.459 -3.114 1.00 0.00 C ATOM 417 C PHE A 33 -2.644 -3.272 -1.885 1.00 0.00 C ATOM 418 O PHE A 33 -2.145 -4.376 -1.669 1.00 0.00 O ATOM 419 CB PHE A 33 -1.003 -1.622 -2.805 1.00 0.00 C ATOM 420 CG PHE A 33 0.017 -2.347 -1.976 1.00 0.00 C ATOM 421 CD1 PHE A 33 0.902 -3.236 -2.564 1.00 0.00 C ATOM 422 CD2 PHE A 33 0.091 -2.140 -0.608 1.00 0.00 C ATOM 423 CE1 PHE A 33 1.842 -3.905 -1.803 1.00 0.00 C ATOM 424 CE2 PHE A 33 1.029 -2.807 0.159 1.00 0.00 C ATOM 425 CZ PHE A 33 1.906 -3.690 -0.440 1.00 0.00 C ATOM 0 H PHE A 33 -3.118 -0.603 -3.551 1.00 0.00 H new ATOM 0 HA PHE A 33 -2.020 -3.149 -3.927 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -0.542 -1.311 -3.743 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.306 -0.715 -2.282 1.00 0.00 H new ATOM 0 HD1 PHE A 33 0.857 -3.408 -3.629 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -0.592 -1.450 -0.135 1.00 0.00 H new ATOM 0 HE1 PHE A 33 2.526 -4.595 -2.274 1.00 0.00 H new ATOM 0 HE2 PHE A 33 1.076 -2.638 1.225 1.00 0.00 H new ATOM 0 HZ PHE A 33 2.640 -4.211 0.156 1.00 0.00 H new ATOM 435 N PHE A 34 -3.545 -2.716 -1.082 1.00 0.00 N ATOM 436 CA PHE A 34 -4.009 -3.388 0.127 1.00 0.00 C ATOM 437 C PHE A 34 -4.951 -4.538 -0.217 1.00 0.00 C ATOM 438 O PHE A 34 -4.826 -5.640 0.317 1.00 0.00 O ATOM 439 CB PHE A 34 -4.717 -2.393 1.049 1.00 0.00 C ATOM 440 CG PHE A 34 -5.354 -3.035 2.248 1.00 0.00 C ATOM 441 CD1 PHE A 34 -4.584 -3.718 3.176 1.00 0.00 C ATOM 442 CD2 PHE A 34 -6.723 -2.957 2.447 1.00 0.00 C ATOM 443 CE1 PHE A 34 -5.167 -4.310 4.280 1.00 0.00 C ATOM 444 CE2 PHE A 34 -7.311 -3.546 3.550 1.00 0.00 C ATOM 445 CZ PHE A 34 -6.533 -4.225 4.467 1.00 0.00 C ATOM 0 H PHE A 34 -3.968 -1.803 -1.246 1.00 0.00 H new ATOM 0 HA PHE A 34 -3.139 -3.796 0.642 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -3.997 -1.647 1.386 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -5.482 -1.864 0.481 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -3.516 -3.788 3.035 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -7.337 -2.430 1.732 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -4.555 -4.839 4.996 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -8.379 -3.475 3.695 1.00 0.00 H new ATOM 0 HZ PHE A 34 -6.991 -4.688 5.328 1.00 0.00 H new ATOM 455 N LYS A 35 -5.895 -4.273 -1.114 1.00 0.00 N ATOM 456 CA LYS A 35 -6.859 -5.284 -1.532 1.00 0.00 C ATOM 457 C LYS A 35 -6.179 -6.379 -2.348 1.00 0.00 C ATOM 458 O LYS A 35 -6.199 -7.551 -1.971 1.00 0.00 O ATOM 459 CB LYS A 35 -7.979 -4.642 -2.353 1.00 0.00 C ATOM 460 CG LYS A 35 -8.703 -5.619 -3.264 1.00 0.00 C ATOM 461 CD LYS A 35 -9.615 -4.898 -4.242 1.00 0.00 C ATOM 462 CE LYS A 35 -10.060 -5.818 -5.370 1.00 0.00 C ATOM 463 NZ LYS A 35 -10.978 -5.128 -6.318 1.00 0.00 N ATOM 0 H LYS A 35 -6.013 -3.366 -1.566 1.00 0.00 H new ATOM 0 HA LYS A 35 -7.287 -5.735 -0.637 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -8.701 -4.188 -1.674 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -7.560 -3.837 -2.957 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -7.974 -6.213 -3.815 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -9.290 -6.313 -2.662 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -10.490 -4.519 -3.714 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -9.095 -4.035 -4.658 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -9.185 -6.180 -5.910 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -10.560 -6.691 -4.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -11.259 -5.788 -7.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -11.825 -4.805 -5.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -10.493 -4.309 -6.737 1.00 0.00 H new ATOM 477 N ARG A 36 -5.578 -5.990 -3.468 1.00 0.00 N ATOM 478 CA ARG A 36 -4.892 -6.938 -4.337 1.00 0.00 C ATOM 479 C ARG A 36 -4.200 -8.024 -3.518 1.00 0.00 C ATOM 480 O ARG A 36 -4.016 -9.147 -3.987 1.00 0.00 O ATOM 481 CB ARG A 36 -3.868 -6.213 -5.212 1.00 0.00 C ATOM 482 CG ARG A 36 -2.660 -5.706 -4.442 1.00 0.00 C ATOM 483 CD ARG A 36 -1.563 -5.225 -5.379 1.00 0.00 C ATOM 484 NE ARG A 36 -1.913 -3.964 -6.028 1.00 0.00 N ATOM 485 CZ ARG A 36 -1.030 -3.186 -6.645 1.00 0.00 C ATOM 486 NH1 ARG A 36 0.247 -3.539 -6.697 1.00 0.00 N ATOM 487 NH2 ARG A 36 -1.425 -2.053 -7.212 1.00 0.00 N ATOM 0 H ARG A 36 -5.553 -5.024 -3.795 1.00 0.00 H new ATOM 0 HA ARG A 36 -5.637 -7.410 -4.978 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.530 -6.889 -5.997 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -4.354 -5.371 -5.704 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -2.962 -4.890 -3.785 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -2.273 -6.502 -3.805 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -0.637 -5.100 -4.819 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -1.376 -5.984 -6.138 1.00 0.00 H new ATOM 0 HE ARG A 36 -2.888 -3.665 -6.006 1.00 0.00 H new ATOM 0 HH11 ARG A 36 0.554 -4.410 -6.263 1.00 0.00 H new ATOM 0 HH12 ARG A 36 0.923 -2.940 -7.171 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -2.407 -1.779 -7.174 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -0.747 -1.456 -7.685 1.00 0.00 H new ATOM 501 N SER A 37 -3.818 -7.680 -2.292 1.00 0.00 N ATOM 502 CA SER A 37 -3.142 -8.623 -1.409 1.00 0.00 C ATOM 503 C SER A 37 -4.134 -9.281 -0.456 1.00 0.00 C ATOM 504 O SER A 37 -4.096 -10.493 -0.241 1.00 0.00 O ATOM 505 CB SER A 37 -2.045 -7.912 -0.613 1.00 0.00 C ATOM 506 OG SER A 37 -1.577 -6.765 -1.300 1.00 0.00 O ATOM 0 H SER A 37 -3.965 -6.755 -1.888 1.00 0.00 H new ATOM 0 HA SER A 37 -2.688 -9.399 -2.025 1.00 0.00 H new ATOM 0 HB2 SER A 37 -2.431 -7.622 0.364 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.216 -8.598 -0.438 1.00 0.00 H new ATOM 0 HG SER A 37 -2.161 -6.004 -1.101 1.00 0.00 H new ATOM 512 N VAL A 38 -5.022 -8.473 0.115 1.00 0.00 N ATOM 513 CA VAL A 38 -6.026 -8.975 1.045 1.00 0.00 C ATOM 514 C VAL A 38 -7.003 -9.914 0.346 1.00 0.00 C ATOM 515 O VAL A 38 -7.090 -11.096 0.678 1.00 0.00 O ATOM 516 CB VAL A 38 -6.814 -7.823 1.696 1.00 0.00 C ATOM 517 CG1 VAL A 38 -8.072 -8.351 2.370 1.00 0.00 C ATOM 518 CG2 VAL A 38 -5.940 -7.075 2.690 1.00 0.00 C ATOM 0 H VAL A 38 -5.066 -7.467 -0.051 1.00 0.00 H new ATOM 0 HA VAL A 38 -5.492 -9.524 1.821 1.00 0.00 H new ATOM 0 HB VAL A 38 -7.115 -7.125 0.915 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.616 -7.523 2.825 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -8.705 -8.838 1.628 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -7.797 -9.071 3.141 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -6.513 -6.264 3.140 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -5.607 -7.760 3.469 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.073 -6.663 2.174 1.00 0.00 H new ATOM 528 N ARG A 39 -7.736 -9.379 -0.626 1.00 0.00 N ATOM 529 CA ARG A 39 -8.707 -10.169 -1.372 1.00 0.00 C ATOM 530 C ARG A 39 -8.052 -11.409 -1.975 1.00 0.00 C ATOM 531 O ARG A 39 -8.711 -12.424 -2.198 1.00 0.00 O ATOM 532 CB ARG A 39 -9.340 -9.324 -2.479 1.00 0.00 C ATOM 533 CG ARG A 39 -8.377 -8.967 -3.599 1.00 0.00 C ATOM 534 CD ARG A 39 -8.395 -10.012 -4.704 1.00 0.00 C ATOM 535 NE ARG A 39 -9.723 -10.162 -5.293 1.00 0.00 N ATOM 536 CZ ARG A 39 -9.940 -10.690 -6.493 1.00 0.00 C ATOM 537 NH1 ARG A 39 -8.921 -11.117 -7.227 1.00 0.00 N ATOM 538 NH2 ARG A 39 -11.177 -10.794 -6.960 1.00 0.00 N ATOM 0 H ARG A 39 -7.675 -8.403 -0.914 1.00 0.00 H new ATOM 0 HA ARG A 39 -9.485 -10.491 -0.680 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -10.187 -9.866 -2.899 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -9.734 -8.406 -2.043 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -8.643 -7.994 -4.012 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -7.368 -8.878 -3.198 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -7.684 -9.731 -5.481 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -8.066 -10.970 -4.302 1.00 0.00 H new ATOM 0 HE ARG A 39 -10.528 -9.844 -4.754 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -7.968 -11.040 -6.871 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -9.090 -11.522 -8.148 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -11.963 -10.468 -6.398 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -11.342 -11.199 -7.881 1.00 0.00 H new ATOM 552 N ARG A 40 -6.753 -11.317 -2.237 1.00 0.00 N ATOM 553 CA ARG A 40 -6.009 -12.429 -2.815 1.00 0.00 C ATOM 554 C ARG A 40 -5.431 -13.323 -1.722 1.00 0.00 C ATOM 555 O ARG A 40 -4.992 -14.441 -1.989 1.00 0.00 O ATOM 556 CB ARG A 40 -4.884 -11.908 -3.711 1.00 0.00 C ATOM 557 CG ARG A 40 -5.375 -11.308 -5.019 1.00 0.00 C ATOM 558 CD ARG A 40 -4.290 -11.330 -6.084 1.00 0.00 C ATOM 559 NE ARG A 40 -4.300 -12.573 -6.850 1.00 0.00 N ATOM 560 CZ ARG A 40 -3.245 -13.038 -7.510 1.00 0.00 C ATOM 561 NH1 ARG A 40 -2.103 -12.365 -7.498 1.00 0.00 N ATOM 562 NH2 ARG A 40 -3.332 -14.177 -8.184 1.00 0.00 N ATOM 0 H ARG A 40 -6.193 -10.483 -2.058 1.00 0.00 H new ATOM 0 HA ARG A 40 -6.699 -13.020 -3.417 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.316 -11.154 -3.166 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -4.198 -12.726 -3.931 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -6.244 -11.863 -5.372 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -5.700 -10.281 -4.850 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -4.429 -10.486 -6.760 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -3.316 -11.203 -5.612 1.00 0.00 H new ATOM 0 HE ARG A 40 -5.164 -13.114 -6.880 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -2.033 -11.488 -6.981 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -1.294 -12.724 -8.005 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -4.210 -14.697 -8.196 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -2.521 -14.533 -8.690 1.00 0.00 H new ATOM 576 N ASN A 41 -5.433 -12.822 -0.492 1.00 0.00 N ATOM 577 CA ASN A 41 -4.908 -13.574 0.642 1.00 0.00 C ATOM 578 C ASN A 41 -3.412 -13.830 0.478 1.00 0.00 C ATOM 579 O ASN A 41 -2.957 -14.973 0.531 1.00 0.00 O ATOM 580 CB ASN A 41 -5.651 -14.904 0.786 1.00 0.00 C ATOM 581 CG ASN A 41 -6.864 -14.793 1.689 1.00 0.00 C ATOM 582 OD1 ASN A 41 -7.691 -13.895 1.529 1.00 0.00 O ATOM 583 ND2 ASN A 41 -6.976 -15.708 2.645 1.00 0.00 N ATOM 0 H ASN A 41 -5.793 -11.898 -0.254 1.00 0.00 H new ATOM 0 HA ASN A 41 -5.061 -12.980 1.543 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -5.965 -15.250 -0.199 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -4.971 -15.656 1.186 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -7.771 -15.684 3.283 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -6.267 -16.435 2.741 1.00 0.00 H new ATOM 590 N LEU A 42 -2.653 -12.758 0.280 1.00 0.00 N ATOM 591 CA LEU A 42 -1.208 -12.865 0.110 1.00 0.00 C ATOM 592 C LEU A 42 -0.486 -12.649 1.436 1.00 0.00 C ATOM 593 O LEU A 42 -1.065 -12.138 2.396 1.00 0.00 O ATOM 594 CB LEU A 42 -0.719 -11.847 -0.921 1.00 0.00 C ATOM 595 CG LEU A 42 -1.590 -11.683 -2.168 1.00 0.00 C ATOM 596 CD1 LEU A 42 -0.987 -10.651 -3.108 1.00 0.00 C ATOM 597 CD2 LEU A 42 -1.761 -13.018 -2.877 1.00 0.00 C ATOM 0 H LEU A 42 -3.014 -11.805 0.233 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.983 -13.870 -0.246 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.634 -10.877 -0.432 1.00 0.00 H new ATOM 0 HB3 LEU A 42 0.284 -12.134 -1.238 1.00 0.00 H new ATOM 0 HG LEU A 42 -2.574 -11.330 -1.858 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.620 -10.548 -3.989 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.917 -9.691 -2.597 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.009 -10.974 -3.412 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -2.383 -12.883 -3.762 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.784 -13.399 -3.175 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -2.238 -13.729 -2.203 1.00 0.00 H new ATOM 609 N THR A 43 0.784 -13.040 1.483 1.00 0.00 N ATOM 610 CA THR A 43 1.586 -12.889 2.691 1.00 0.00 C ATOM 611 C THR A 43 3.046 -12.612 2.350 1.00 0.00 C ATOM 612 O THR A 43 3.780 -13.513 1.942 1.00 0.00 O ATOM 613 CB THR A 43 1.507 -14.145 3.579 1.00 0.00 C ATOM 614 OG1 THR A 43 0.140 -14.444 3.884 1.00 0.00 O ATOM 615 CG2 THR A 43 2.288 -13.946 4.869 1.00 0.00 C ATOM 0 H THR A 43 1.279 -13.464 0.698 1.00 0.00 H new ATOM 0 HA THR A 43 1.176 -12.040 3.239 1.00 0.00 H new ATOM 0 HB THR A 43 1.947 -14.978 3.032 1.00 0.00 H new ATOM 0 HG1 THR A 43 0.098 -15.245 4.448 1.00 0.00 H new ATOM 0 HG21 THR A 43 2.217 -14.846 5.480 1.00 0.00 H new ATOM 0 HG22 THR A 43 3.334 -13.748 4.634 1.00 0.00 H new ATOM 0 HG23 THR A 43 1.873 -13.101 5.419 1.00 0.00 H new ATOM 623 N TYR A 44 3.461 -11.362 2.520 1.00 0.00 N ATOM 624 CA TYR A 44 4.834 -10.967 2.229 1.00 0.00 C ATOM 625 C TYR A 44 5.749 -11.264 3.413 1.00 0.00 C ATOM 626 O TYR A 44 5.346 -11.147 4.571 1.00 0.00 O ATOM 627 CB TYR A 44 4.896 -9.478 1.884 1.00 0.00 C ATOM 628 CG TYR A 44 3.884 -9.055 0.842 1.00 0.00 C ATOM 629 CD1 TYR A 44 4.075 -9.355 -0.501 1.00 0.00 C ATOM 630 CD2 TYR A 44 2.739 -8.356 1.201 1.00 0.00 C ATOM 631 CE1 TYR A 44 3.154 -8.970 -1.456 1.00 0.00 C ATOM 632 CE2 TYR A 44 1.812 -7.968 0.253 1.00 0.00 C ATOM 633 CZ TYR A 44 2.024 -8.278 -1.075 1.00 0.00 C ATOM 634 OH TYR A 44 1.104 -7.893 -2.023 1.00 0.00 O ATOM 0 H TYR A 44 2.867 -10.605 2.858 1.00 0.00 H new ATOM 0 HA TYR A 44 5.178 -11.547 1.373 1.00 0.00 H new ATOM 0 HB2 TYR A 44 4.735 -8.896 2.792 1.00 0.00 H new ATOM 0 HB3 TYR A 44 5.897 -9.238 1.525 1.00 0.00 H new ATOM 0 HD1 TYR A 44 4.958 -9.898 -0.803 1.00 0.00 H new ATOM 0 HD2 TYR A 44 2.570 -8.111 2.239 1.00 0.00 H new ATOM 0 HE1 TYR A 44 3.318 -9.210 -2.496 1.00 0.00 H new ATOM 0 HE2 TYR A 44 0.927 -7.425 0.549 1.00 0.00 H new ATOM 0 HH TYR A 44 0.374 -7.402 -1.590 1.00 0.00 H new ATOM 644 N THR A 45 6.986 -11.650 3.114 1.00 0.00 N ATOM 645 CA THR A 45 7.960 -11.965 4.151 1.00 0.00 C ATOM 646 C THR A 45 9.035 -10.888 4.242 1.00 0.00 C ATOM 647 O THR A 45 10.072 -10.974 3.584 1.00 0.00 O ATOM 648 CB THR A 45 8.635 -13.326 3.893 1.00 0.00 C ATOM 649 OG1 THR A 45 7.640 -14.344 3.740 1.00 0.00 O ATOM 650 CG2 THR A 45 9.570 -13.691 5.036 1.00 0.00 C ATOM 0 H THR A 45 7.336 -11.752 2.162 1.00 0.00 H new ATOM 0 HA THR A 45 7.414 -12.010 5.093 1.00 0.00 H new ATOM 0 HB THR A 45 9.220 -13.250 2.977 1.00 0.00 H new ATOM 0 HG1 THR A 45 8.076 -15.206 3.575 1.00 0.00 H new ATOM 0 HG21 THR A 45 10.035 -14.655 4.832 1.00 0.00 H new ATOM 0 HG22 THR A 45 10.343 -12.928 5.131 1.00 0.00 H new ATOM 0 HG23 THR A 45 9.003 -13.751 5.965 1.00 0.00 H new ATOM 658 N CYS A 46 8.781 -9.873 5.062 1.00 0.00 N ATOM 659 CA CYS A 46 9.726 -8.778 5.240 1.00 0.00 C ATOM 660 C CYS A 46 11.152 -9.306 5.373 1.00 0.00 C ATOM 661 O CYS A 46 11.474 -10.018 6.324 1.00 0.00 O ATOM 662 CB CYS A 46 9.358 -7.954 6.475 1.00 0.00 C ATOM 663 SG CYS A 46 10.523 -6.603 6.842 1.00 0.00 S ATOM 0 H CYS A 46 7.928 -9.787 5.614 1.00 0.00 H new ATOM 0 HA CYS A 46 9.674 -8.140 4.358 1.00 0.00 H new ATOM 0 HB2 CYS A 46 8.363 -7.533 6.334 1.00 0.00 H new ATOM 0 HB3 CYS A 46 9.304 -8.617 7.338 1.00 0.00 H new ATOM 0 HG CYS A 46 9.867 -5.488 6.973 1.00 0.00 H new ATOM 668 N ARG A 47 12.001 -8.951 4.414 1.00 0.00 N ATOM 669 CA ARG A 47 13.391 -9.390 4.424 1.00 0.00 C ATOM 670 C ARG A 47 14.217 -8.556 5.399 1.00 0.00 C ATOM 671 O ARG A 47 15.447 -8.581 5.365 1.00 0.00 O ATOM 672 CB ARG A 47 13.989 -9.292 3.020 1.00 0.00 C ATOM 673 CG ARG A 47 15.131 -10.265 2.775 1.00 0.00 C ATOM 674 CD ARG A 47 14.624 -11.688 2.602 1.00 0.00 C ATOM 675 NE ARG A 47 14.323 -12.321 3.884 1.00 0.00 N ATOM 676 CZ ARG A 47 13.517 -13.368 4.015 1.00 0.00 C ATOM 677 NH1 ARG A 47 12.935 -13.898 2.948 1.00 0.00 N ATOM 678 NH2 ARG A 47 13.293 -13.889 5.215 1.00 0.00 N ATOM 0 H ARG A 47 11.751 -8.361 3.621 1.00 0.00 H new ATOM 0 HA ARG A 47 13.415 -10.430 4.750 1.00 0.00 H new ATOM 0 HB2 ARG A 47 13.204 -9.474 2.286 1.00 0.00 H new ATOM 0 HB3 ARG A 47 14.348 -8.276 2.857 1.00 0.00 H new ATOM 0 HG2 ARG A 47 15.682 -9.963 1.884 1.00 0.00 H new ATOM 0 HG3 ARG A 47 15.829 -10.226 3.611 1.00 0.00 H new ATOM 0 HD2 ARG A 47 13.728 -11.681 1.982 1.00 0.00 H new ATOM 0 HD3 ARG A 47 15.373 -12.278 2.073 1.00 0.00 H new ATOM 0 HE ARG A 47 14.756 -11.938 4.724 1.00 0.00 H new ATOM 0 HH11 ARG A 47 13.106 -13.501 2.024 1.00 0.00 H new ATOM 0 HH12 ARG A 47 12.316 -14.702 3.051 1.00 0.00 H new ATOM 0 HH21 ARG A 47 13.740 -13.485 6.038 1.00 0.00 H new ATOM 0 HH22 ARG A 47 12.674 -14.693 5.314 1.00 0.00 H new ATOM 692 N ALA A 48 13.532 -7.819 6.267 1.00 0.00 N ATOM 693 CA ALA A 48 14.202 -6.979 7.252 1.00 0.00 C ATOM 694 C ALA A 48 13.583 -7.154 8.635 1.00 0.00 C ATOM 695 O ALA A 48 12.736 -8.023 8.841 1.00 0.00 O ATOM 696 CB ALA A 48 14.145 -5.519 6.828 1.00 0.00 C ATOM 0 H ALA A 48 12.513 -7.787 6.308 1.00 0.00 H new ATOM 0 HA ALA A 48 15.245 -7.289 7.307 1.00 0.00 H new ATOM 0 HB1 ALA A 48 14.649 -4.904 7.573 1.00 0.00 H new ATOM 0 HB2 ALA A 48 14.640 -5.400 5.864 1.00 0.00 H new ATOM 0 HB3 ALA A 48 13.105 -5.205 6.742 1.00 0.00 H new ATOM 702 N ASN A 49 14.012 -6.324 9.580 1.00 0.00 N ATOM 703 CA ASN A 49 13.500 -6.388 10.944 1.00 0.00 C ATOM 704 C ASN A 49 12.140 -5.704 11.047 1.00 0.00 C ATOM 705 O ASN A 49 11.864 -4.991 12.013 1.00 0.00 O ATOM 706 CB ASN A 49 14.487 -5.734 11.913 1.00 0.00 C ATOM 707 CG ASN A 49 15.718 -6.589 12.148 1.00 0.00 C ATOM 708 OD1 ASN A 49 15.937 -7.090 13.251 1.00 0.00 O ATOM 709 ND2 ASN A 49 16.528 -6.758 11.110 1.00 0.00 N ATOM 0 H ASN A 49 14.713 -5.599 9.426 1.00 0.00 H new ATOM 0 HA ASN A 49 13.380 -7.438 11.212 1.00 0.00 H new ATOM 0 HB2 ASN A 49 14.791 -4.764 11.519 1.00 0.00 H new ATOM 0 HB3 ASN A 49 13.989 -5.549 12.865 1.00 0.00 H new ATOM 0 HD21 ASN A 49 17.372 -7.322 11.208 1.00 0.00 H new ATOM 0 HD22 ASN A 49 16.306 -6.324 10.214 1.00 0.00 H new ATOM 716 N ARG A 50 11.295 -5.925 10.046 1.00 0.00 N ATOM 717 CA ARG A 50 9.964 -5.330 10.024 1.00 0.00 C ATOM 718 C ARG A 50 10.011 -3.876 10.485 1.00 0.00 C ATOM 719 O ARG A 50 9.116 -3.408 11.187 1.00 0.00 O ATOM 720 CB ARG A 50 9.010 -6.128 10.915 1.00 0.00 C ATOM 721 CG ARG A 50 8.794 -7.558 10.449 1.00 0.00 C ATOM 722 CD ARG A 50 8.118 -8.398 11.522 1.00 0.00 C ATOM 723 NE ARG A 50 9.014 -8.684 12.639 1.00 0.00 N ATOM 724 CZ ARG A 50 8.823 -9.678 13.498 1.00 0.00 C ATOM 725 NH1 ARG A 50 7.773 -10.477 13.370 1.00 0.00 N ATOM 726 NH2 ARG A 50 9.683 -9.875 14.489 1.00 0.00 N ATOM 0 H ARG A 50 11.508 -6.512 9.239 1.00 0.00 H new ATOM 0 HA ARG A 50 9.599 -5.356 8.997 1.00 0.00 H new ATOM 0 HB2 ARG A 50 9.402 -6.142 11.932 1.00 0.00 H new ATOM 0 HB3 ARG A 50 8.048 -5.617 10.951 1.00 0.00 H new ATOM 0 HG2 ARG A 50 8.183 -7.559 9.546 1.00 0.00 H new ATOM 0 HG3 ARG A 50 9.753 -8.005 10.186 1.00 0.00 H new ATOM 0 HD2 ARG A 50 7.236 -7.874 11.890 1.00 0.00 H new ATOM 0 HD3 ARG A 50 7.773 -9.335 11.085 1.00 0.00 H new ATOM 0 HE ARG A 50 9.831 -8.087 12.766 1.00 0.00 H new ATOM 0 HH11 ARG A 50 7.109 -10.329 12.610 1.00 0.00 H new ATOM 0 HH12 ARG A 50 7.629 -11.240 14.032 1.00 0.00 H new ATOM 0 HH21 ARG A 50 10.492 -9.262 14.592 1.00 0.00 H new ATOM 0 HH22 ARG A 50 9.535 -10.639 15.148 1.00 0.00 H new ATOM 740 N ASN A 51 11.062 -3.168 10.084 1.00 0.00 N ATOM 741 CA ASN A 51 11.226 -1.767 10.456 1.00 0.00 C ATOM 742 C ASN A 51 11.456 -0.899 9.222 1.00 0.00 C ATOM 743 O ASN A 51 11.852 0.261 9.331 1.00 0.00 O ATOM 744 CB ASN A 51 12.397 -1.611 11.429 1.00 0.00 C ATOM 745 CG ASN A 51 12.225 -2.450 12.680 1.00 0.00 C ATOM 746 OD1 ASN A 51 11.126 -2.558 13.222 1.00 0.00 O ATOM 747 ND2 ASN A 51 13.316 -3.048 13.145 1.00 0.00 N ATOM 0 H ASN A 51 11.812 -3.541 9.502 1.00 0.00 H new ATOM 0 HA ASN A 51 10.309 -1.436 10.944 1.00 0.00 H new ATOM 0 HB2 ASN A 51 13.322 -1.896 10.928 1.00 0.00 H new ATOM 0 HB3 ASN A 51 12.496 -0.562 11.709 1.00 0.00 H new ATOM 0 HD21 ASN A 51 13.263 -3.625 13.984 1.00 0.00 H new ATOM 0 HD22 ASN A 51 14.207 -2.930 12.663 1.00 0.00 H new ATOM 754 N CYS A 52 11.203 -1.470 8.049 1.00 0.00 N ATOM 755 CA CYS A 52 11.381 -0.750 6.794 1.00 0.00 C ATOM 756 C CYS A 52 10.527 0.514 6.766 1.00 0.00 C ATOM 757 O CYS A 52 9.335 0.495 7.073 1.00 0.00 O ATOM 758 CB CYS A 52 11.020 -1.650 5.610 1.00 0.00 C ATOM 759 SG CYS A 52 11.697 -3.337 5.724 1.00 0.00 S ATOM 0 H CYS A 52 10.874 -2.429 7.942 1.00 0.00 H new ATOM 0 HA CYS A 52 12.429 -0.461 6.715 1.00 0.00 H new ATOM 0 HB2 CYS A 52 9.935 -1.710 5.531 1.00 0.00 H new ATOM 0 HB3 CYS A 52 11.381 -1.187 4.692 1.00 0.00 H new ATOM 0 HG CYS A 52 10.871 -4.174 5.170 1.00 0.00 H new ATOM 764 N PRO A 53 11.150 1.640 6.389 1.00 0.00 N ATOM 765 CA PRO A 53 10.467 2.935 6.311 1.00 0.00 C ATOM 766 C PRO A 53 9.461 2.991 5.166 1.00 0.00 C ATOM 767 O PRO A 53 9.841 3.081 3.998 1.00 0.00 O ATOM 768 CB PRO A 53 11.609 3.925 6.069 1.00 0.00 C ATOM 769 CG PRO A 53 12.680 3.117 5.422 1.00 0.00 C ATOM 770 CD PRO A 53 12.570 1.737 6.010 1.00 0.00 C ATOM 0 HA PRO A 53 9.887 3.145 7.210 1.00 0.00 H new ATOM 0 HB2 PRO A 53 11.291 4.747 5.428 1.00 0.00 H new ATOM 0 HB3 PRO A 53 11.956 4.366 7.004 1.00 0.00 H new ATOM 0 HG2 PRO A 53 12.550 3.092 4.340 1.00 0.00 H new ATOM 0 HG3 PRO A 53 13.663 3.546 5.615 1.00 0.00 H new ATOM 0 HD2 PRO A 53 12.846 0.969 5.287 1.00 0.00 H new ATOM 0 HD3 PRO A 53 13.225 1.614 6.872 1.00 0.00 H new ATOM 778 N ILE A 54 8.179 2.938 5.507 1.00 0.00 N ATOM 779 CA ILE A 54 7.119 2.985 4.507 1.00 0.00 C ATOM 780 C ILE A 54 6.592 4.405 4.331 1.00 0.00 C ATOM 781 O ILE A 54 5.573 4.777 4.913 1.00 0.00 O ATOM 782 CB ILE A 54 5.948 2.058 4.883 1.00 0.00 C ATOM 783 CG1 ILE A 54 6.449 0.627 5.090 1.00 0.00 C ATOM 784 CG2 ILE A 54 4.874 2.098 3.807 1.00 0.00 C ATOM 785 CD1 ILE A 54 7.028 0.002 3.841 1.00 0.00 C ATOM 0 H ILE A 54 7.848 2.862 6.469 1.00 0.00 H new ATOM 0 HA ILE A 54 7.555 2.643 3.569 1.00 0.00 H new ATOM 0 HB ILE A 54 5.511 2.409 5.818 1.00 0.00 H new ATOM 0 HG12 ILE A 54 7.208 0.626 5.872 1.00 0.00 H new ATOM 0 HG13 ILE A 54 5.624 0.010 5.446 1.00 0.00 H new ATOM 0 HG21 ILE A 54 4.053 1.438 4.087 1.00 0.00 H new ATOM 0 HG22 ILE A 54 4.501 3.117 3.703 1.00 0.00 H new ATOM 0 HG23 ILE A 54 5.297 1.768 2.858 1.00 0.00 H new ATOM 0 HD11 ILE A 54 7.363 -1.011 4.063 1.00 0.00 H new ATOM 0 HD12 ILE A 54 6.265 -0.030 3.063 1.00 0.00 H new ATOM 0 HD13 ILE A 54 7.874 0.596 3.496 1.00 0.00 H new ATOM 797 N ASP A 55 7.292 5.194 3.523 1.00 0.00 N ATOM 798 CA ASP A 55 6.893 6.573 3.266 1.00 0.00 C ATOM 799 C ASP A 55 6.513 6.765 1.802 1.00 0.00 C ATOM 800 O ASP A 55 6.797 5.913 0.960 1.00 0.00 O ATOM 801 CB ASP A 55 8.024 7.531 3.642 1.00 0.00 C ATOM 802 CG ASP A 55 9.275 7.303 2.817 1.00 0.00 C ATOM 803 OD1 ASP A 55 9.146 6.899 1.642 1.00 0.00 O ATOM 804 OD2 ASP A 55 10.384 7.529 3.345 1.00 0.00 O ATOM 0 H ASP A 55 8.139 4.902 3.035 1.00 0.00 H new ATOM 0 HA ASP A 55 6.020 6.794 3.881 1.00 0.00 H new ATOM 0 HB2 ASP A 55 7.686 8.558 3.507 1.00 0.00 H new ATOM 0 HB3 ASP A 55 8.262 7.410 4.699 1.00 0.00 H new ATOM 809 N GLN A 56 5.867 7.888 1.506 1.00 0.00 N ATOM 810 CA GLN A 56 5.446 8.191 0.143 1.00 0.00 C ATOM 811 C GLN A 56 6.647 8.523 -0.737 1.00 0.00 C ATOM 812 O GLN A 56 6.782 8.000 -1.843 1.00 0.00 O ATOM 813 CB GLN A 56 4.458 9.359 0.139 1.00 0.00 C ATOM 814 CG GLN A 56 4.248 9.974 -1.235 1.00 0.00 C ATOM 815 CD GLN A 56 4.182 8.934 -2.336 1.00 0.00 C ATOM 816 OE1 GLN A 56 4.774 9.103 -3.402 1.00 0.00 O ATOM 817 NE2 GLN A 56 3.458 7.849 -2.083 1.00 0.00 N ATOM 0 H GLN A 56 5.624 8.603 2.191 1.00 0.00 H new ATOM 0 HA GLN A 56 4.954 7.307 -0.263 1.00 0.00 H new ATOM 0 HB2 GLN A 56 3.498 9.014 0.524 1.00 0.00 H new ATOM 0 HB3 GLN A 56 4.816 10.129 0.822 1.00 0.00 H new ATOM 0 HG2 GLN A 56 3.325 10.554 -1.232 1.00 0.00 H new ATOM 0 HG3 GLN A 56 5.060 10.669 -1.446 1.00 0.00 H new ATOM 0 HE21 GLN A 56 2.984 7.750 -1.185 1.00 0.00 H new ATOM 0 HE22 GLN A 56 3.376 7.115 -2.786 1.00 0.00 H new ATOM 915 N CYS A 62 9.434 -2.002 1.146 1.00 0.00 N ATOM 916 CA CYS A 62 9.059 -3.313 1.663 1.00 0.00 C ATOM 917 C CYS A 62 7.604 -3.632 1.332 1.00 0.00 C ATOM 918 O CYS A 62 6.770 -2.734 1.230 1.00 0.00 O ATOM 919 CB CYS A 62 9.274 -3.369 3.177 1.00 0.00 C ATOM 920 SG CYS A 62 8.991 -5.013 3.908 1.00 0.00 S ATOM 0 HA CYS A 62 9.694 -4.059 1.186 1.00 0.00 H new ATOM 0 HB2 CYS A 62 10.294 -3.055 3.400 1.00 0.00 H new ATOM 0 HB3 CYS A 62 8.607 -2.651 3.655 1.00 0.00 H new ATOM 0 HG CYS A 62 8.752 -4.887 5.180 1.00 0.00 H new ATOM 925 N GLN A 63 7.309 -4.918 1.166 1.00 0.00 N ATOM 926 CA GLN A 63 5.955 -5.355 0.847 1.00 0.00 C ATOM 927 C GLN A 63 5.177 -5.689 2.115 1.00 0.00 C ATOM 928 O GLN A 63 4.054 -5.224 2.307 1.00 0.00 O ATOM 929 CB GLN A 63 5.995 -6.573 -0.078 1.00 0.00 C ATOM 930 CG GLN A 63 6.130 -6.217 -1.549 1.00 0.00 C ATOM 931 CD GLN A 63 6.360 -7.432 -2.425 1.00 0.00 C ATOM 932 OE1 GLN A 63 5.584 -7.707 -3.341 1.00 0.00 O ATOM 933 NE2 GLN A 63 7.430 -8.168 -2.149 1.00 0.00 N ATOM 0 H GLN A 63 7.989 -5.674 1.247 1.00 0.00 H new ATOM 0 HA GLN A 63 5.447 -4.537 0.337 1.00 0.00 H new ATOM 0 HB2 GLN A 63 6.831 -7.211 0.211 1.00 0.00 H new ATOM 0 HB3 GLN A 63 5.085 -7.156 0.064 1.00 0.00 H new ATOM 0 HG2 GLN A 63 5.228 -5.702 -1.878 1.00 0.00 H new ATOM 0 HG3 GLN A 63 6.959 -5.520 -1.676 1.00 0.00 H new ATOM 0 HE21 GLN A 63 8.047 -7.904 -1.381 1.00 0.00 H new ATOM 0 HE22 GLN A 63 7.636 -8.998 -2.705 1.00 0.00 H new ATOM 942 N TYR A 64 5.782 -6.499 2.978 1.00 0.00 N ATOM 943 CA TYR A 64 5.145 -6.898 4.227 1.00 0.00 C ATOM 944 C TYR A 64 4.860 -5.683 5.105 1.00 0.00 C ATOM 945 O TYR A 64 3.720 -5.446 5.507 1.00 0.00 O ATOM 946 CB TYR A 64 6.031 -7.890 4.982 1.00 0.00 C ATOM 947 CG TYR A 64 5.742 -7.954 6.464 1.00 0.00 C ATOM 948 CD1 TYR A 64 6.267 -7.008 7.336 1.00 0.00 C ATOM 949 CD2 TYR A 64 4.942 -8.960 6.993 1.00 0.00 C ATOM 950 CE1 TYR A 64 6.006 -7.064 8.692 1.00 0.00 C ATOM 951 CE2 TYR A 64 4.674 -9.022 8.347 1.00 0.00 C ATOM 952 CZ TYR A 64 5.209 -8.072 9.192 1.00 0.00 C ATOM 953 OH TYR A 64 4.945 -8.130 10.541 1.00 0.00 O ATOM 0 H TYR A 64 6.712 -6.892 2.835 1.00 0.00 H new ATOM 0 HA TYR A 64 4.198 -7.379 3.985 1.00 0.00 H new ATOM 0 HB2 TYR A 64 5.899 -8.883 4.552 1.00 0.00 H new ATOM 0 HB3 TYR A 64 7.076 -7.615 4.836 1.00 0.00 H new ATOM 0 HD1 TYR A 64 6.890 -6.216 6.947 1.00 0.00 H new ATOM 0 HD2 TYR A 64 4.523 -9.706 6.334 1.00 0.00 H new ATOM 0 HE1 TYR A 64 6.424 -6.322 9.356 1.00 0.00 H new ATOM 0 HE2 TYR A 64 4.049 -9.810 8.742 1.00 0.00 H new ATOM 0 HH TYR A 64 4.367 -8.899 10.729 1.00 0.00 H new ATOM 963 N CYS A 65 5.904 -4.915 5.399 1.00 0.00 N ATOM 964 CA CYS A 65 5.768 -3.725 6.229 1.00 0.00 C ATOM 965 C CYS A 65 4.647 -2.827 5.713 1.00 0.00 C ATOM 966 O CYS A 65 3.781 -2.397 6.476 1.00 0.00 O ATOM 967 CB CYS A 65 7.086 -2.947 6.261 1.00 0.00 C ATOM 968 SG CYS A 65 8.360 -3.687 7.332 1.00 0.00 S ATOM 0 H CYS A 65 6.854 -5.096 5.074 1.00 0.00 H new ATOM 0 HA CYS A 65 5.517 -4.044 7.241 1.00 0.00 H new ATOM 0 HB2 CYS A 65 7.477 -2.874 5.246 1.00 0.00 H new ATOM 0 HB3 CYS A 65 6.887 -1.930 6.600 1.00 0.00 H new ATOM 0 HG CYS A 65 9.522 -3.585 6.758 1.00 0.00 H new ATOM 973 N ARG A 66 4.671 -2.547 4.414 1.00 0.00 N ATOM 974 CA ARG A 66 3.658 -1.700 3.796 1.00 0.00 C ATOM 975 C ARG A 66 2.275 -2.333 3.913 1.00 0.00 C ATOM 976 O ARG A 66 1.391 -1.801 4.586 1.00 0.00 O ATOM 977 CB ARG A 66 3.996 -1.455 2.324 1.00 0.00 C ATOM 978 CG ARG A 66 3.065 -0.466 1.642 1.00 0.00 C ATOM 979 CD ARG A 66 3.645 0.027 0.326 1.00 0.00 C ATOM 980 NE ARG A 66 2.727 0.921 -0.376 1.00 0.00 N ATOM 981 CZ ARG A 66 3.089 1.695 -1.393 1.00 0.00 C ATOM 982 NH1 ARG A 66 4.342 1.684 -1.826 1.00 0.00 N ATOM 983 NH2 ARG A 66 2.196 2.482 -1.980 1.00 0.00 N ATOM 0 H ARG A 66 5.381 -2.894 3.769 1.00 0.00 H new ATOM 0 HA ARG A 66 3.648 -0.746 4.323 1.00 0.00 H new ATOM 0 HB2 ARG A 66 5.019 -1.087 2.251 1.00 0.00 H new ATOM 0 HB3 ARG A 66 3.960 -2.404 1.789 1.00 0.00 H new ATOM 0 HG2 ARG A 66 2.099 -0.938 1.461 1.00 0.00 H new ATOM 0 HG3 ARG A 66 2.886 0.382 2.303 1.00 0.00 H new ATOM 0 HD2 ARG A 66 4.584 0.548 0.516 1.00 0.00 H new ATOM 0 HD3 ARG A 66 3.877 -0.827 -0.310 1.00 0.00 H new ATOM 0 HE ARG A 66 1.755 0.952 -0.068 1.00 0.00 H new ATOM 0 HH11 ARG A 66 5.031 1.080 -1.378 1.00 0.00 H new ATOM 0 HH12 ARG A 66 4.617 2.279 -2.607 1.00 0.00 H new ATOM 0 HH21 ARG A 66 1.231 2.493 -1.650 1.00 0.00 H new ATOM 0 HH22 ARG A 66 2.475 3.076 -2.761 1.00 0.00 H new ATOM 997 N LEU A 67 2.093 -3.472 3.253 1.00 0.00 N ATOM 998 CA LEU A 67 0.817 -4.178 3.282 1.00 0.00 C ATOM 999 C LEU A 67 0.271 -4.257 4.704 1.00 0.00 C ATOM 1000 O LEU A 67 -0.908 -3.994 4.944 1.00 0.00 O ATOM 1001 CB LEU A 67 0.978 -5.586 2.707 1.00 0.00 C ATOM 1002 CG LEU A 67 -0.136 -6.579 3.041 1.00 0.00 C ATOM 1003 CD1 LEU A 67 0.099 -7.205 4.407 1.00 0.00 C ATOM 1004 CD2 LEU A 67 -1.494 -5.894 2.992 1.00 0.00 C ATOM 0 H LEU A 67 2.813 -3.926 2.691 1.00 0.00 H new ATOM 0 HA LEU A 67 0.107 -3.621 2.670 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.054 -5.507 1.623 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.922 -5.997 3.064 1.00 0.00 H new ATOM 0 HG LEU A 67 -0.125 -7.373 2.294 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.704 -7.909 4.628 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.053 -7.732 4.407 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.116 -6.424 5.167 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.275 -6.616 3.232 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.517 -5.080 3.716 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.664 -5.495 1.992 1.00 0.00 H new ATOM 1016 N LYS A 68 1.136 -4.620 5.646 1.00 0.00 N ATOM 1017 CA LYS A 68 0.742 -4.730 7.045 1.00 0.00 C ATOM 1018 C LYS A 68 0.295 -3.379 7.593 1.00 0.00 C ATOM 1019 O LYS A 68 -0.770 -3.264 8.200 1.00 0.00 O ATOM 1020 CB LYS A 68 1.903 -5.273 7.882 1.00 0.00 C ATOM 1021 CG LYS A 68 2.244 -6.722 7.581 1.00 0.00 C ATOM 1022 CD LYS A 68 1.161 -7.665 8.077 1.00 0.00 C ATOM 1023 CE LYS A 68 1.457 -8.163 9.483 1.00 0.00 C ATOM 1024 NZ LYS A 68 0.810 -7.313 10.521 1.00 0.00 N ATOM 0 H LYS A 68 2.115 -4.843 5.465 1.00 0.00 H new ATOM 0 HA LYS A 68 -0.098 -5.422 7.106 1.00 0.00 H new ATOM 0 HB2 LYS A 68 2.785 -4.657 7.707 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.653 -5.179 8.939 1.00 0.00 H new ATOM 0 HG2 LYS A 68 2.375 -6.850 6.507 1.00 0.00 H new ATOM 0 HG3 LYS A 68 3.194 -6.978 8.051 1.00 0.00 H new ATOM 0 HD2 LYS A 68 0.199 -7.153 8.066 1.00 0.00 H new ATOM 0 HD3 LYS A 68 1.078 -8.514 7.399 1.00 0.00 H new ATOM 0 HE2 LYS A 68 1.107 -9.190 9.585 1.00 0.00 H new ATOM 0 HE3 LYS A 68 2.535 -8.176 9.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 0.755 -7.839 11.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 1.371 -6.449 10.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -0.149 -7.057 10.211 1.00 0.00 H new ATOM 1038 N LYS A 69 1.115 -2.356 7.374 1.00 0.00 N ATOM 1039 CA LYS A 69 0.804 -1.011 7.843 1.00 0.00 C ATOM 1040 C LYS A 69 -0.683 -0.710 7.682 1.00 0.00 C ATOM 1041 O LYS A 69 -1.242 0.110 8.413 1.00 0.00 O ATOM 1042 CB LYS A 69 1.631 0.023 7.076 1.00 0.00 C ATOM 1043 CG LYS A 69 1.264 1.460 7.404 1.00 0.00 C ATOM 1044 CD LYS A 69 2.469 2.380 7.303 1.00 0.00 C ATOM 1045 CE LYS A 69 3.229 2.450 8.619 1.00 0.00 C ATOM 1046 NZ LYS A 69 4.598 3.007 8.439 1.00 0.00 N ATOM 0 H LYS A 69 2.001 -2.433 6.874 1.00 0.00 H new ATOM 0 HA LYS A 69 1.056 -0.955 8.902 1.00 0.00 H new ATOM 0 HB2 LYS A 69 2.687 -0.133 7.296 1.00 0.00 H new ATOM 0 HB3 LYS A 69 1.501 -0.141 6.006 1.00 0.00 H new ATOM 0 HG2 LYS A 69 0.486 1.802 6.722 1.00 0.00 H new ATOM 0 HG3 LYS A 69 0.850 1.510 8.411 1.00 0.00 H new ATOM 0 HD2 LYS A 69 3.134 2.025 6.516 1.00 0.00 H new ATOM 0 HD3 LYS A 69 2.142 3.380 7.017 1.00 0.00 H new ATOM 0 HE2 LYS A 69 2.675 3.068 9.326 1.00 0.00 H new ATOM 0 HE3 LYS A 69 3.297 1.452 9.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 5.008 3.229 9.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 5.196 2.308 7.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 4.547 3.874 7.867 1.00 0.00 H new ATOM 1060 N CYS A 70 -1.316 -1.377 6.725 1.00 0.00 N ATOM 1061 CA CYS A 70 -2.739 -1.180 6.469 1.00 0.00 C ATOM 1062 C CYS A 70 -3.577 -1.696 7.634 1.00 0.00 C ATOM 1063 O CYS A 70 -4.468 -1.002 8.128 1.00 0.00 O ATOM 1064 CB CYS A 70 -3.149 -1.888 5.177 1.00 0.00 C ATOM 1065 SG CYS A 70 -2.345 -1.239 3.693 1.00 0.00 S ATOM 0 H CYS A 70 -0.868 -2.059 6.113 1.00 0.00 H new ATOM 0 HA CYS A 70 -2.919 -0.110 6.361 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -2.918 -2.949 5.268 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -4.229 -1.806 5.057 1.00 0.00 H new ATOM 0 HG CYS A 70 -3.047 -0.255 3.215 1.00 0.00 H new ATOM 1071 N LEU A 71 -3.289 -2.918 8.068 1.00 0.00 N ATOM 1072 CA LEU A 71 -4.017 -3.529 9.175 1.00 0.00 C ATOM 1073 C LEU A 71 -3.693 -2.830 10.491 1.00 0.00 C ATOM 1074 O LEU A 71 -4.424 -2.962 11.473 1.00 0.00 O ATOM 1075 CB LEU A 71 -3.676 -5.016 9.276 1.00 0.00 C ATOM 1076 CG LEU A 71 -3.767 -5.816 7.975 1.00 0.00 C ATOM 1077 CD1 LEU A 71 -3.044 -7.147 8.116 1.00 0.00 C ATOM 1078 CD2 LEU A 71 -5.221 -6.035 7.584 1.00 0.00 C ATOM 0 H LEU A 71 -2.556 -3.506 7.670 1.00 0.00 H new ATOM 0 HA LEU A 71 -5.084 -3.420 8.981 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.663 -5.110 9.667 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.343 -5.472 10.007 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.282 -5.244 7.184 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.119 -7.703 7.181 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -1.994 -6.968 8.348 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -3.500 -7.725 8.919 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.266 -6.606 6.656 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -5.731 -6.586 8.374 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -5.708 -5.071 7.441 1.00 0.00 H new ATOM 1090 N LYS A 72 -2.593 -2.085 10.505 1.00 0.00 N ATOM 1091 CA LYS A 72 -2.172 -1.362 11.699 1.00 0.00 C ATOM 1092 C LYS A 72 -2.876 -0.012 11.794 1.00 0.00 C ATOM 1093 O LYS A 72 -3.539 0.285 12.788 1.00 0.00 O ATOM 1094 CB LYS A 72 -0.656 -1.159 11.690 1.00 0.00 C ATOM 1095 CG LYS A 72 -0.117 -0.539 12.968 1.00 0.00 C ATOM 1096 CD LYS A 72 -0.117 0.978 12.895 1.00 0.00 C ATOM 1097 CE LYS A 72 0.520 1.595 14.131 1.00 0.00 C ATOM 1098 NZ LYS A 72 2.006 1.513 14.088 1.00 0.00 N ATOM 0 H LYS A 72 -1.976 -1.966 9.701 1.00 0.00 H new ATOM 0 HA LYS A 72 -2.447 -1.958 12.569 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.170 -2.121 11.530 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -0.388 -0.523 10.846 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -0.723 -0.863 13.814 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.897 -0.896 13.147 1.00 0.00 H new ATOM 0 HD2 LYS A 72 0.424 1.301 12.006 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -1.141 1.339 12.793 1.00 0.00 H new ATOM 0 HE2 LYS A 72 0.216 2.638 14.214 1.00 0.00 H new ATOM 0 HE3 LYS A 72 0.154 1.085 15.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 2.402 1.944 14.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 2.297 0.516 14.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 2.358 2.022 13.252 1.00 0.00 H new ATOM 1112 N VAL A 73 -2.729 0.801 10.753 1.00 0.00 N ATOM 1113 CA VAL A 73 -3.353 2.119 10.718 1.00 0.00 C ATOM 1114 C VAL A 73 -4.845 2.028 11.017 1.00 0.00 C ATOM 1115 O VAL A 73 -5.395 2.855 11.743 1.00 0.00 O ATOM 1116 CB VAL A 73 -3.155 2.797 9.349 1.00 0.00 C ATOM 1117 CG1 VAL A 73 -1.680 3.068 9.095 1.00 0.00 C ATOM 1118 CG2 VAL A 73 -3.747 1.941 8.240 1.00 0.00 C ATOM 0 H VAL A 73 -2.183 0.571 9.923 1.00 0.00 H new ATOM 0 HA VAL A 73 -2.867 2.720 11.487 1.00 0.00 H new ATOM 0 HB VAL A 73 -3.679 3.753 9.358 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.560 3.547 8.123 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -1.291 3.724 9.874 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -1.130 2.127 9.106 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.598 2.435 7.280 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -3.254 0.969 8.228 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -4.814 1.804 8.416 1.00 0.00 H new ATOM 1128 N GLY A 74 -5.496 1.016 10.452 1.00 0.00 N ATOM 1129 CA GLY A 74 -6.920 0.835 10.671 1.00 0.00 C ATOM 1130 C GLY A 74 -7.570 -0.005 9.589 1.00 0.00 C ATOM 1131 O GLY A 74 -8.535 -0.723 9.849 1.00 0.00 O ATOM 0 H GLY A 74 -5.063 0.318 9.847 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -7.078 0.361 11.639 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -7.405 1.810 10.711 1.00 0.00 H new ATOM 1135 N MET A 75 -7.042 0.087 8.373 1.00 0.00 N ATOM 1136 CA MET A 75 -7.579 -0.671 7.249 1.00 0.00 C ATOM 1137 C MET A 75 -7.967 -2.082 7.679 1.00 0.00 C ATOM 1138 O MET A 75 -7.146 -2.824 8.218 1.00 0.00 O ATOM 1139 CB MET A 75 -6.554 -0.735 6.114 1.00 0.00 C ATOM 1140 CG MET A 75 -5.871 0.594 5.837 1.00 0.00 C ATOM 1141 SD MET A 75 -4.942 0.589 4.291 1.00 0.00 S ATOM 1142 CE MET A 75 -6.263 0.354 3.104 1.00 0.00 C ATOM 0 H MET A 75 -6.244 0.678 8.141 1.00 0.00 H new ATOM 0 HA MET A 75 -8.474 -0.160 6.894 1.00 0.00 H new ATOM 0 HB2 MET A 75 -5.797 -1.479 6.361 1.00 0.00 H new ATOM 0 HB3 MET A 75 -7.051 -1.075 5.205 1.00 0.00 H new ATOM 0 HG2 MET A 75 -6.622 1.384 5.803 1.00 0.00 H new ATOM 0 HG3 MET A 75 -5.197 0.830 6.661 1.00 0.00 H new ATOM 0 HE1 MET A 75 -5.885 -0.199 2.244 1.00 0.00 H new ATOM 0 HE2 MET A 75 -7.074 -0.207 3.568 1.00 0.00 H new ATOM 0 HE3 MET A 75 -6.635 1.325 2.777 1.00 0.00 H new ATOM 1152 N ARG A 76 -9.222 -2.445 7.439 1.00 0.00 N ATOM 1153 CA ARG A 76 -9.719 -3.766 7.803 1.00 0.00 C ATOM 1154 C ARG A 76 -9.873 -4.649 6.568 1.00 0.00 C ATOM 1155 O ARG A 76 -10.325 -4.192 5.519 1.00 0.00 O ATOM 1156 CB ARG A 76 -11.060 -3.648 8.529 1.00 0.00 C ATOM 1157 CG ARG A 76 -12.144 -2.977 7.701 1.00 0.00 C ATOM 1158 CD ARG A 76 -13.196 -2.325 8.584 1.00 0.00 C ATOM 1159 NE ARG A 76 -12.714 -1.085 9.186 1.00 0.00 N ATOM 1160 CZ ARG A 76 -13.250 -0.538 10.272 1.00 0.00 C ATOM 1161 NH1 ARG A 76 -14.280 -1.120 10.871 1.00 0.00 N ATOM 1162 NH2 ARG A 76 -12.755 0.592 10.760 1.00 0.00 N ATOM 0 H ARG A 76 -9.914 -1.842 6.994 1.00 0.00 H new ATOM 0 HA ARG A 76 -8.992 -4.228 8.470 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -11.398 -4.644 8.815 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -10.916 -3.083 9.450 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -11.695 -2.225 7.052 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -12.618 -3.715 7.053 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -14.088 -2.118 7.992 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -13.490 -3.020 9.371 1.00 0.00 H new ATOM 0 HE ARG A 76 -11.923 -0.613 8.749 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -14.662 -1.989 10.498 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -14.690 -0.699 11.704 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -11.962 1.042 10.302 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -13.167 1.011 11.594 1.00 0.00 H new ATOM 1176 N ARG A 77 -9.492 -5.915 6.701 1.00 0.00 N ATOM 1177 CA ARG A 77 -9.586 -6.862 5.596 1.00 0.00 C ATOM 1178 C ARG A 77 -11.044 -7.159 5.257 1.00 0.00 C ATOM 1179 O ARG A 77 -11.395 -7.338 4.092 1.00 0.00 O ATOM 1180 CB ARG A 77 -8.857 -8.161 5.946 1.00 0.00 C ATOM 1181 CG ARG A 77 -7.369 -7.977 6.193 1.00 0.00 C ATOM 1182 CD ARG A 77 -6.659 -9.313 6.338 1.00 0.00 C ATOM 1183 NE ARG A 77 -6.669 -10.076 5.093 1.00 0.00 N ATOM 1184 CZ ARG A 77 -6.416 -11.379 5.027 1.00 0.00 C ATOM 1185 NH1 ARG A 77 -6.134 -12.059 6.129 1.00 0.00 N ATOM 1186 NH2 ARG A 77 -6.445 -12.003 3.856 1.00 0.00 N ATOM 0 H ARG A 77 -9.115 -6.309 7.563 1.00 0.00 H new ATOM 0 HA ARG A 77 -9.113 -6.412 4.723 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -9.313 -8.595 6.836 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -8.996 -8.876 5.135 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -6.929 -7.417 5.368 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -7.219 -7.384 7.096 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -5.629 -9.144 6.651 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -7.140 -9.895 7.124 1.00 0.00 H new ATOM 0 HE ARG A 77 -6.882 -9.582 4.226 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -6.111 -11.582 7.030 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -5.940 -13.059 6.076 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -6.662 -11.482 3.006 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -6.251 -13.003 3.806 1.00 0.00 H new ATOM 1200 N GLU A 78 -11.886 -7.210 6.285 1.00 0.00 N ATOM 1201 CA GLU A 78 -13.305 -7.487 6.095 1.00 0.00 C ATOM 1202 C GLU A 78 -13.936 -6.471 5.147 1.00 0.00 C ATOM 1203 O GLU A 78 -14.896 -6.778 4.440 1.00 0.00 O ATOM 1204 CB GLU A 78 -14.036 -7.469 7.439 1.00 0.00 C ATOM 1205 CG GLU A 78 -13.965 -6.129 8.152 1.00 0.00 C ATOM 1206 CD GLU A 78 -15.111 -5.923 9.123 1.00 0.00 C ATOM 1207 OE1 GLU A 78 -15.109 -6.576 10.188 1.00 0.00 O ATOM 1208 OE2 GLU A 78 -16.010 -5.112 8.819 1.00 0.00 O ATOM 0 H GLU A 78 -11.610 -7.063 7.256 1.00 0.00 H new ATOM 0 HA GLU A 78 -13.399 -8.479 5.652 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -15.082 -7.730 7.278 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -13.611 -8.238 8.085 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -13.020 -6.058 8.691 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -13.971 -5.328 7.413 1.00 0.00 H new ATOM 1215 N ALA A 79 -13.389 -5.259 5.139 1.00 0.00 N ATOM 1216 CA ALA A 79 -13.897 -4.198 4.278 1.00 0.00 C ATOM 1217 C ALA A 79 -13.529 -4.451 2.820 1.00 0.00 C ATOM 1218 O ALA A 79 -14.228 -4.010 1.907 1.00 0.00 O ATOM 1219 CB ALA A 79 -13.361 -2.849 4.732 1.00 0.00 C ATOM 0 H ALA A 79 -12.595 -4.988 5.719 1.00 0.00 H new ATOM 0 HA ALA A 79 -14.984 -4.190 4.355 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -13.748 -2.066 4.080 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -13.678 -2.658 5.757 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -12.272 -2.855 4.684 1.00 0.00 H new ATOM 1225 N VAL A 80 -12.428 -5.165 2.607 1.00 0.00 N ATOM 1226 CA VAL A 80 -11.968 -5.477 1.259 1.00 0.00 C ATOM 1227 C VAL A 80 -12.909 -6.459 0.571 1.00 0.00 C ATOM 1228 O VAL A 80 -13.157 -6.357 -0.630 1.00 0.00 O ATOM 1229 CB VAL A 80 -10.546 -6.071 1.275 1.00 0.00 C ATOM 1230 CG1 VAL A 80 -10.136 -6.511 -0.122 1.00 0.00 C ATOM 1231 CG2 VAL A 80 -9.555 -5.063 1.838 1.00 0.00 C ATOM 0 H VAL A 80 -11.838 -5.538 3.351 1.00 0.00 H new ATOM 0 HA VAL A 80 -11.956 -4.539 0.703 1.00 0.00 H new ATOM 0 HB VAL A 80 -10.544 -6.949 1.922 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -9.129 -6.928 -0.091 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -10.831 -7.268 -0.484 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -10.153 -5.653 -0.793 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -8.556 -5.499 1.842 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -9.557 -4.166 1.219 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -9.841 -4.802 2.857 1.00 0.00 H new