USER MOD reduce.3.24.130724 H: found=0, std=0, add=527, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 528 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 15 ASN : amide:sc= -0.432 K(o=-0.81,f=0.8!) USER MOD Set 1.2: A 25 GLN : amide:sc= 0 K(o=-0.81,f=0.8) USER MOD Set 1.3: A 43 CYS SG : rot -140:sc= -0.381 USER MOD Set 2.1: A 23 LYS NZ :NH3+ -172:sc= 1.05 (180deg=-0.337) USER MOD Set 2.2: A 60 TYR OH : rot 40:sc= 1.34 USER MOD Set 3.1: A 5 LYS NZ :NH3+ -174:sc= 1.12 (180deg=-0.146) USER MOD Set 3.2: A 6 GLN : amide:sc= -1.5! C(o=-0.37!,f=-10!) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot -86:sc= 1.09 USER MOD Single : A 13 ASN : amide:sc= -0.0398 K(o=-0.04,f=-1) USER MOD Single : A 16 SER OG : rot 95:sc= 1.25 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ -157:sc= -0.0611 (180deg=-0.433) USER MOD Single : A 21 SER OG : rot 78:sc= 0.324 USER MOD Single : A 24 THR OG1 : rot 180:sc= -1.75! USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot -175:sc=0.000337 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=-0.0027) USER MOD Single : A 41 THR OG1 : rot -31:sc= 1.24 USER MOD Single : A 44 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0664) USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -0.345 X(o=-0.34,f=-0.14) USER MOD Single : A 62 ASN : amide:sc= -1.56! K(o=-1.6!,f=-0.22) USER MOD Single : A 64 ASN : amide:sc= -0.56 K(o=-0.56,f=-9.5!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 70 N LYS A 5 8.898 8.568 5.915 1.00 0.00 N ATOM 71 CA LYS A 5 7.886 7.641 6.376 1.00 0.00 C ATOM 72 C LYS A 5 6.951 7.273 5.230 1.00 0.00 C ATOM 73 O LYS A 5 6.444 6.166 5.186 1.00 0.00 O ATOM 74 CB LYS A 5 7.114 8.200 7.580 1.00 0.00 C ATOM 75 CG LYS A 5 6.028 9.193 7.226 1.00 0.00 C ATOM 76 CD LYS A 5 5.375 9.777 8.468 1.00 0.00 C ATOM 77 CE LYS A 5 4.175 10.635 8.107 1.00 0.00 C ATOM 78 NZ LYS A 5 4.528 11.693 7.128 1.00 0.00 N ATOM 0 HA LYS A 5 8.383 6.733 6.717 1.00 0.00 H new ATOM 0 HB2 LYS A 5 6.665 7.369 8.125 1.00 0.00 H new ATOM 0 HB3 LYS A 5 7.821 8.680 8.257 1.00 0.00 H new ATOM 0 HG2 LYS A 5 6.452 9.998 6.625 1.00 0.00 H new ATOM 0 HG3 LYS A 5 5.272 8.702 6.613 1.00 0.00 H new ATOM 0 HD2 LYS A 5 5.062 8.970 9.131 1.00 0.00 H new ATOM 0 HD3 LYS A 5 6.102 10.376 9.016 1.00 0.00 H new ATOM 0 HE2 LYS A 5 3.389 10.004 7.693 1.00 0.00 H new ATOM 0 HE3 LYS A 5 3.772 11.095 9.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 3.710 12.319 6.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 5.330 12.248 7.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 4.792 11.254 6.223 1.00 0.00 H new ATOM 92 N GLN A 6 6.762 8.192 4.281 1.00 0.00 N ATOM 93 CA GLN A 6 5.980 7.900 3.084 1.00 0.00 C ATOM 94 C GLN A 6 6.583 6.706 2.351 1.00 0.00 C ATOM 95 O GLN A 6 5.880 5.772 1.966 1.00 0.00 O ATOM 96 CB GLN A 6 5.938 9.101 2.131 1.00 0.00 C ATOM 97 CG GLN A 6 5.162 10.306 2.641 1.00 0.00 C ATOM 98 CD GLN A 6 5.947 11.144 3.629 1.00 0.00 C ATOM 99 OE1 GLN A 6 5.878 10.928 4.833 1.00 0.00 O ATOM 100 NE2 GLN A 6 6.706 12.102 3.126 1.00 0.00 N ATOM 0 H GLN A 6 7.139 9.139 4.320 1.00 0.00 H new ATOM 0 HA GLN A 6 4.962 7.674 3.401 1.00 0.00 H new ATOM 0 HB2 GLN A 6 6.961 9.411 1.918 1.00 0.00 H new ATOM 0 HB3 GLN A 6 5.499 8.780 1.186 1.00 0.00 H new ATOM 0 HG2 GLN A 6 4.873 10.929 1.795 1.00 0.00 H new ATOM 0 HG3 GLN A 6 4.242 9.964 3.114 1.00 0.00 H new ATOM 0 HE21 GLN A 6 6.737 12.251 2.117 1.00 0.00 H new ATOM 0 HE22 GLN A 6 7.261 12.692 3.746 1.00 0.00 H new ATOM 109 N LYS A 7 7.902 6.745 2.188 1.00 0.00 N ATOM 110 CA LYS A 7 8.641 5.688 1.505 1.00 0.00 C ATOM 111 C LYS A 7 8.526 4.375 2.274 1.00 0.00 C ATOM 112 O LYS A 7 8.424 3.297 1.686 1.00 0.00 O ATOM 113 CB LYS A 7 10.114 6.097 1.375 1.00 0.00 C ATOM 114 CG LYS A 7 10.955 5.163 0.517 1.00 0.00 C ATOM 115 CD LYS A 7 12.418 5.589 0.496 1.00 0.00 C ATOM 116 CE LYS A 7 12.603 6.958 -0.143 1.00 0.00 C ATOM 117 NZ LYS A 7 14.029 7.388 -0.132 1.00 0.00 N ATOM 0 H LYS A 7 8.488 7.509 2.525 1.00 0.00 H new ATOM 0 HA LYS A 7 8.217 5.542 0.511 1.00 0.00 H new ATOM 0 HB2 LYS A 7 10.163 7.101 0.953 1.00 0.00 H new ATOM 0 HB3 LYS A 7 10.553 6.148 2.371 1.00 0.00 H new ATOM 0 HG2 LYS A 7 10.877 4.146 0.901 1.00 0.00 H new ATOM 0 HG3 LYS A 7 10.564 5.151 -0.500 1.00 0.00 H new ATOM 0 HD2 LYS A 7 12.805 5.609 1.515 1.00 0.00 H new ATOM 0 HD3 LYS A 7 13.003 4.851 -0.052 1.00 0.00 H new ATOM 0 HE2 LYS A 7 12.240 6.931 -1.170 1.00 0.00 H new ATOM 0 HE3 LYS A 7 11.998 7.692 0.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 14.113 8.325 -0.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 14.369 7.438 0.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 14.603 6.701 -0.662 1.00 0.00 H new ATOM 131 N ALA A 8 8.541 4.481 3.595 1.00 0.00 N ATOM 132 CA ALA A 8 8.457 3.313 4.462 1.00 0.00 C ATOM 133 C ALA A 8 7.036 2.758 4.525 1.00 0.00 C ATOM 134 O ALA A 8 6.845 1.549 4.622 1.00 0.00 O ATOM 135 CB ALA A 8 8.953 3.659 5.855 1.00 0.00 C ATOM 0 H ALA A 8 8.611 5.369 4.093 1.00 0.00 H new ATOM 0 HA ALA A 8 9.094 2.537 4.038 1.00 0.00 H new ATOM 0 HB1 ALA A 8 8.886 2.779 6.494 1.00 0.00 H new ATOM 0 HB2 ALA A 8 9.990 3.989 5.800 1.00 0.00 H new ATOM 0 HB3 ALA A 8 8.339 4.458 6.272 1.00 0.00 H new ATOM 141 N ILE A 9 6.047 3.639 4.477 1.00 0.00 N ATOM 142 CA ILE A 9 4.648 3.226 4.526 1.00 0.00 C ATOM 143 C ILE A 9 4.237 2.539 3.231 1.00 0.00 C ATOM 144 O ILE A 9 3.630 1.467 3.258 1.00 0.00 O ATOM 145 CB ILE A 9 3.714 4.427 4.793 1.00 0.00 C ATOM 146 CG1 ILE A 9 3.932 4.969 6.206 1.00 0.00 C ATOM 147 CG2 ILE A 9 2.256 4.042 4.599 1.00 0.00 C ATOM 148 CD1 ILE A 9 3.188 6.259 6.492 1.00 0.00 C ATOM 0 H ILE A 9 6.186 4.647 4.404 1.00 0.00 H new ATOM 0 HA ILE A 9 4.551 2.520 5.351 1.00 0.00 H new ATOM 0 HB ILE A 9 3.958 5.208 4.073 1.00 0.00 H new ATOM 0 HG12 ILE A 9 3.619 4.213 6.926 1.00 0.00 H new ATOM 0 HG13 ILE A 9 4.998 5.134 6.360 1.00 0.00 H new ATOM 0 HG21 ILE A 9 1.622 4.907 4.794 1.00 0.00 H new ATOM 0 HG22 ILE A 9 2.102 3.703 3.575 1.00 0.00 H new ATOM 0 HG23 ILE A 9 1.997 3.239 5.289 1.00 0.00 H new ATOM 0 HD11 ILE A 9 3.394 6.579 7.514 1.00 0.00 H new ATOM 0 HD12 ILE A 9 3.518 7.031 5.797 1.00 0.00 H new ATOM 0 HD13 ILE A 9 2.117 6.096 6.372 1.00 0.00 H new ATOM 160 N PHE A 10 4.589 3.149 2.104 1.00 0.00 N ATOM 161 CA PHE A 10 4.268 2.591 0.792 1.00 0.00 C ATOM 162 C PHE A 10 4.795 1.162 0.671 1.00 0.00 C ATOM 163 O PHE A 10 4.078 0.255 0.239 1.00 0.00 O ATOM 164 CB PHE A 10 4.863 3.467 -0.316 1.00 0.00 C ATOM 165 CG PHE A 10 4.615 2.948 -1.710 1.00 0.00 C ATOM 166 CD1 PHE A 10 3.394 3.153 -2.331 1.00 0.00 C ATOM 167 CD2 PHE A 10 5.607 2.266 -2.399 1.00 0.00 C ATOM 168 CE1 PHE A 10 3.165 2.685 -3.611 1.00 0.00 C ATOM 169 CE2 PHE A 10 5.383 1.795 -3.678 1.00 0.00 C ATOM 170 CZ PHE A 10 4.160 2.006 -4.286 1.00 0.00 C ATOM 0 H PHE A 10 5.098 4.032 2.071 1.00 0.00 H new ATOM 0 HA PHE A 10 3.184 2.570 0.683 1.00 0.00 H new ATOM 0 HB2 PHE A 10 4.446 4.471 -0.234 1.00 0.00 H new ATOM 0 HB3 PHE A 10 5.938 3.554 -0.158 1.00 0.00 H new ATOM 0 HD1 PHE A 10 2.612 3.685 -1.809 1.00 0.00 H new ATOM 0 HD2 PHE A 10 6.566 2.101 -1.930 1.00 0.00 H new ATOM 0 HE1 PHE A 10 2.208 2.850 -4.083 1.00 0.00 H new ATOM 0 HE2 PHE A 10 6.163 1.262 -4.202 1.00 0.00 H new ATOM 0 HZ PHE A 10 3.983 1.641 -5.287 1.00 0.00 H new ATOM 180 N SER A 11 6.047 0.968 1.068 1.00 0.00 N ATOM 181 CA SER A 11 6.668 -0.345 1.016 1.00 0.00 C ATOM 182 C SER A 11 6.058 -1.280 2.057 1.00 0.00 C ATOM 183 O SER A 11 5.778 -2.441 1.765 1.00 0.00 O ATOM 184 CB SER A 11 8.180 -0.221 1.222 1.00 0.00 C ATOM 185 OG SER A 11 8.480 0.576 2.356 1.00 0.00 O ATOM 0 H SER A 11 6.651 1.706 1.430 1.00 0.00 H new ATOM 0 HA SER A 11 6.482 -0.775 0.032 1.00 0.00 H new ATOM 0 HB2 SER A 11 8.615 -1.213 1.346 1.00 0.00 H new ATOM 0 HB3 SER A 11 8.636 0.218 0.335 1.00 0.00 H new ATOM 0 HG SER A 11 8.505 1.520 2.095 1.00 0.00 H new ATOM 191 N GLU A 12 5.836 -0.758 3.263 1.00 0.00 N ATOM 192 CA GLU A 12 5.270 -1.546 4.354 1.00 0.00 C ATOM 193 C GLU A 12 3.913 -2.115 3.962 1.00 0.00 C ATOM 194 O GLU A 12 3.678 -3.317 4.090 1.00 0.00 O ATOM 195 CB GLU A 12 5.125 -0.689 5.613 1.00 0.00 C ATOM 196 CG GLU A 12 4.872 -1.495 6.875 1.00 0.00 C ATOM 197 CD GLU A 12 6.051 -2.370 7.242 1.00 0.00 C ATOM 198 OE1 GLU A 12 7.011 -1.854 7.849 1.00 0.00 O ATOM 199 OE2 GLU A 12 6.027 -3.579 6.925 1.00 0.00 O ATOM 0 H GLU A 12 6.041 0.211 3.508 1.00 0.00 H new ATOM 0 HA GLU A 12 5.950 -2.372 4.561 1.00 0.00 H new ATOM 0 HB2 GLU A 12 6.031 -0.098 5.746 1.00 0.00 H new ATOM 0 HB3 GLU A 12 4.304 0.014 5.471 1.00 0.00 H new ATOM 0 HG2 GLU A 12 4.655 -0.816 7.700 1.00 0.00 H new ATOM 0 HG3 GLU A 12 3.989 -2.119 6.735 1.00 0.00 H new ATOM 206 N ASN A 13 3.032 -1.249 3.471 1.00 0.00 N ATOM 207 CA ASN A 13 1.695 -1.667 3.062 1.00 0.00 C ATOM 208 C ASN A 13 1.776 -2.732 1.984 1.00 0.00 C ATOM 209 O ASN A 13 1.242 -3.832 2.144 1.00 0.00 O ATOM 210 CB ASN A 13 0.878 -0.482 2.536 1.00 0.00 C ATOM 211 CG ASN A 13 0.499 0.506 3.620 1.00 0.00 C ATOM 212 OD1 ASN A 13 0.359 0.144 4.788 1.00 0.00 O ATOM 213 ND2 ASN A 13 0.318 1.760 3.237 1.00 0.00 N ATOM 0 H ASN A 13 3.219 -0.254 3.347 1.00 0.00 H new ATOM 0 HA ASN A 13 1.198 -2.074 3.942 1.00 0.00 H new ATOM 0 HB2 ASN A 13 1.452 0.034 1.767 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -0.029 -0.856 2.060 1.00 0.00 H new ATOM 0 HD21 ASN A 13 0.052 2.469 3.921 1.00 0.00 H new ATOM 0 HD22 ASN A 13 0.444 2.018 2.258 1.00 0.00 H new ATOM 220 N LEU A 14 2.472 -2.406 0.900 1.00 0.00 N ATOM 221 CA LEU A 14 2.605 -3.309 -0.235 1.00 0.00 C ATOM 222 C LEU A 14 3.165 -4.660 0.203 1.00 0.00 C ATOM 223 O LEU A 14 2.582 -5.705 -0.081 1.00 0.00 O ATOM 224 CB LEU A 14 3.517 -2.686 -1.297 1.00 0.00 C ATOM 225 CG LEU A 14 3.681 -3.498 -2.584 1.00 0.00 C ATOM 226 CD1 LEU A 14 2.352 -3.611 -3.314 1.00 0.00 C ATOM 227 CD2 LEU A 14 4.737 -2.868 -3.482 1.00 0.00 C ATOM 0 H LEU A 14 2.956 -1.516 0.785 1.00 0.00 H new ATOM 0 HA LEU A 14 1.614 -3.470 -0.660 1.00 0.00 H new ATOM 0 HB2 LEU A 14 3.125 -1.703 -1.556 1.00 0.00 H new ATOM 0 HB3 LEU A 14 4.503 -2.530 -0.858 1.00 0.00 H new ATOM 0 HG LEU A 14 4.013 -4.502 -2.320 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.486 -4.191 -4.227 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.625 -4.108 -2.672 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.990 -2.615 -3.568 1.00 0.00 H new ATOM 0 HD21 LEU A 14 4.840 -3.459 -4.392 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.436 -1.853 -3.740 1.00 0.00 H new ATOM 0 HD23 LEU A 14 5.692 -2.841 -2.957 1.00 0.00 H new ATOM 239 N ASN A 15 4.276 -4.621 0.929 1.00 0.00 N ATOM 240 CA ASN A 15 4.979 -5.832 1.349 1.00 0.00 C ATOM 241 C ASN A 15 4.087 -6.703 2.238 1.00 0.00 C ATOM 242 O ASN A 15 4.109 -7.931 2.144 1.00 0.00 O ATOM 243 CB ASN A 15 6.267 -5.445 2.089 1.00 0.00 C ATOM 244 CG ASN A 15 7.291 -6.565 2.166 1.00 0.00 C ATOM 245 OD1 ASN A 15 6.953 -7.743 2.264 1.00 0.00 O ATOM 246 ND2 ASN A 15 8.563 -6.196 2.120 1.00 0.00 N ATOM 0 H ASN A 15 4.715 -3.755 1.243 1.00 0.00 H new ATOM 0 HA ASN A 15 5.235 -6.416 0.465 1.00 0.00 H new ATOM 0 HB2 ASN A 15 6.718 -4.587 1.590 1.00 0.00 H new ATOM 0 HB3 ASN A 15 6.012 -5.128 3.100 1.00 0.00 H new ATOM 0 HD21 ASN A 15 9.300 -6.900 2.166 1.00 0.00 H new ATOM 0 HD22 ASN A 15 8.805 -5.208 2.038 1.00 0.00 H new ATOM 253 N SER A 16 3.282 -6.063 3.078 1.00 0.00 N ATOM 254 CA SER A 16 2.387 -6.787 3.970 1.00 0.00 C ATOM 255 C SER A 16 1.286 -7.495 3.186 1.00 0.00 C ATOM 256 O SER A 16 0.938 -8.640 3.487 1.00 0.00 O ATOM 257 CB SER A 16 1.778 -5.834 4.996 1.00 0.00 C ATOM 258 OG SER A 16 2.795 -5.156 5.717 1.00 0.00 O ATOM 0 H SER A 16 3.231 -5.048 3.159 1.00 0.00 H new ATOM 0 HA SER A 16 2.970 -7.545 4.494 1.00 0.00 H new ATOM 0 HB2 SER A 16 1.138 -5.110 4.492 1.00 0.00 H new ATOM 0 HB3 SER A 16 1.146 -6.391 5.687 1.00 0.00 H new ATOM 0 HG SER A 16 2.973 -4.290 5.295 1.00 0.00 H new ATOM 264 N TYR A 17 0.754 -6.820 2.171 1.00 0.00 N ATOM 265 CA TYR A 17 -0.280 -7.410 1.328 1.00 0.00 C ATOM 266 C TYR A 17 0.282 -8.575 0.526 1.00 0.00 C ATOM 267 O TYR A 17 -0.376 -9.601 0.378 1.00 0.00 O ATOM 268 CB TYR A 17 -0.887 -6.370 0.382 1.00 0.00 C ATOM 269 CG TYR A 17 -1.742 -5.332 1.076 1.00 0.00 C ATOM 270 CD1 TYR A 17 -2.802 -5.711 1.890 1.00 0.00 C ATOM 271 CD2 TYR A 17 -1.487 -3.976 0.922 1.00 0.00 C ATOM 272 CE1 TYR A 17 -3.584 -4.767 2.527 1.00 0.00 C ATOM 273 CE2 TYR A 17 -2.264 -3.026 1.556 1.00 0.00 C ATOM 274 CZ TYR A 17 -3.310 -3.426 2.360 1.00 0.00 C ATOM 275 OH TYR A 17 -4.089 -2.483 2.996 1.00 0.00 O ATOM 0 H TYR A 17 1.020 -5.870 1.914 1.00 0.00 H new ATOM 0 HA TYR A 17 -1.069 -7.778 1.984 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -0.082 -5.865 -0.151 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -1.492 -6.883 -0.366 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -3.018 -6.760 2.027 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -0.667 -3.658 0.295 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -4.407 -5.078 3.153 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -2.053 -1.975 1.423 1.00 0.00 H new ATOM 0 HH TYR A 17 -3.763 -1.586 2.775 1.00 0.00 H new ATOM 285 N ILE A 18 1.505 -8.421 0.025 1.00 0.00 N ATOM 286 CA ILE A 18 2.175 -9.482 -0.724 1.00 0.00 C ATOM 287 C ILE A 18 2.240 -10.769 0.098 1.00 0.00 C ATOM 288 O ILE A 18 1.961 -11.859 -0.406 1.00 0.00 O ATOM 289 CB ILE A 18 3.611 -9.068 -1.123 1.00 0.00 C ATOM 290 CG1 ILE A 18 3.586 -7.791 -1.963 1.00 0.00 C ATOM 291 CG2 ILE A 18 4.296 -10.188 -1.893 1.00 0.00 C ATOM 292 CD1 ILE A 18 4.958 -7.201 -2.215 1.00 0.00 C ATOM 0 H ILE A 18 2.055 -7.568 0.125 1.00 0.00 H new ATOM 0 HA ILE A 18 1.591 -9.655 -1.628 1.00 0.00 H new ATOM 0 HB ILE A 18 4.177 -8.876 -0.211 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.111 -8.006 -2.920 1.00 0.00 H new ATOM 0 HG13 ILE A 18 2.967 -7.048 -1.460 1.00 0.00 H new ATOM 0 HG21 ILE A 18 5.305 -9.878 -2.165 1.00 0.00 H new ATOM 0 HG22 ILE A 18 4.346 -11.081 -1.269 1.00 0.00 H new ATOM 0 HG23 ILE A 18 3.728 -10.408 -2.797 1.00 0.00 H new ATOM 0 HD11 ILE A 18 4.861 -6.298 -2.817 1.00 0.00 H new ATOM 0 HD12 ILE A 18 5.428 -6.954 -1.263 1.00 0.00 H new ATOM 0 HD13 ILE A 18 5.574 -7.926 -2.746 1.00 0.00 H new ATOM 304 N ALA A 19 2.589 -10.627 1.370 1.00 0.00 N ATOM 305 CA ALA A 19 2.724 -11.773 2.263 1.00 0.00 C ATOM 306 C ALA A 19 1.364 -12.369 2.618 1.00 0.00 C ATOM 307 O ALA A 19 1.252 -13.566 2.870 1.00 0.00 O ATOM 308 CB ALA A 19 3.479 -11.378 3.522 1.00 0.00 C ATOM 0 H ALA A 19 2.784 -9.727 1.809 1.00 0.00 H new ATOM 0 HA ALA A 19 3.294 -12.540 1.738 1.00 0.00 H new ATOM 0 HB1 ALA A 19 3.571 -12.244 4.178 1.00 0.00 H new ATOM 0 HB2 ALA A 19 4.472 -11.019 3.253 1.00 0.00 H new ATOM 0 HB3 ALA A 19 2.935 -10.587 4.039 1.00 0.00 H new ATOM 314 N LYS A 20 0.329 -11.535 2.633 1.00 0.00 N ATOM 315 CA LYS A 20 -1.016 -11.990 2.952 1.00 0.00 C ATOM 316 C LYS A 20 -1.675 -12.641 1.743 1.00 0.00 C ATOM 317 O LYS A 20 -2.360 -13.656 1.870 1.00 0.00 O ATOM 318 CB LYS A 20 -1.855 -10.823 3.469 1.00 0.00 C ATOM 319 CG LYS A 20 -1.628 -10.534 4.942 1.00 0.00 C ATOM 320 CD LYS A 20 -2.133 -11.679 5.807 1.00 0.00 C ATOM 321 CE LYS A 20 -1.515 -11.651 7.194 1.00 0.00 C ATOM 322 NZ LYS A 20 -0.056 -11.925 7.150 1.00 0.00 N ATOM 0 H LYS A 20 0.398 -10.538 2.427 1.00 0.00 H new ATOM 0 HA LYS A 20 -0.949 -12.744 3.736 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -1.621 -9.930 2.889 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -2.910 -11.042 3.306 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -0.565 -10.376 5.126 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -2.139 -9.612 5.218 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -3.218 -11.620 5.891 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -1.902 -12.629 5.325 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -1.689 -10.677 7.650 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -2.006 -12.391 7.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 0.259 -12.280 8.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 0.141 -12.639 6.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 0.455 -11.048 6.923 1.00 0.00 H new ATOM 336 N SER A 21 -1.467 -12.058 0.572 1.00 0.00 N ATOM 337 CA SER A 21 -1.954 -12.638 -0.660 1.00 0.00 C ATOM 338 C SER A 21 -1.207 -13.935 -0.962 1.00 0.00 C ATOM 339 O SER A 21 -1.765 -14.862 -1.553 1.00 0.00 O ATOM 340 CB SER A 21 -1.769 -11.637 -1.798 1.00 0.00 C ATOM 341 OG SER A 21 -2.490 -10.442 -1.547 1.00 0.00 O ATOM 0 H SER A 21 -0.961 -11.180 0.454 1.00 0.00 H new ATOM 0 HA SER A 21 -3.014 -12.870 -0.558 1.00 0.00 H new ATOM 0 HB2 SER A 21 -0.710 -11.408 -1.917 1.00 0.00 H new ATOM 0 HB3 SER A 21 -2.107 -12.080 -2.735 1.00 0.00 H new ATOM 0 HG SER A 21 -1.998 -9.892 -0.902 1.00 0.00 H new ATOM 347 N GLU A 22 0.048 -13.987 -0.515 1.00 0.00 N ATOM 348 CA GLU A 22 0.924 -15.133 -0.729 1.00 0.00 C ATOM 349 C GLU A 22 1.090 -15.400 -2.223 1.00 0.00 C ATOM 350 O GLU A 22 0.582 -16.383 -2.766 1.00 0.00 O ATOM 351 CB GLU A 22 0.411 -16.380 0.003 1.00 0.00 C ATOM 352 CG GLU A 22 1.379 -17.555 -0.042 1.00 0.00 C ATOM 353 CD GLU A 22 0.890 -18.752 0.746 1.00 0.00 C ATOM 354 OE1 GLU A 22 0.045 -19.509 0.224 1.00 0.00 O ATOM 355 OE2 GLU A 22 1.357 -18.948 1.888 1.00 0.00 O ATOM 0 H GLU A 22 0.486 -13.229 0.009 1.00 0.00 H new ATOM 0 HA GLU A 22 1.901 -14.894 -0.309 1.00 0.00 H new ATOM 0 HB2 GLU A 22 0.212 -16.124 1.044 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -0.538 -16.685 -0.438 1.00 0.00 H new ATOM 0 HG2 GLU A 22 1.537 -17.849 -1.080 1.00 0.00 H new ATOM 0 HG3 GLU A 22 2.345 -17.238 0.350 1.00 0.00 H new ATOM 362 N LYS A 23 1.790 -14.496 -2.884 1.00 0.00 N ATOM 363 CA LYS A 23 2.053 -14.620 -4.305 1.00 0.00 C ATOM 364 C LYS A 23 3.525 -14.339 -4.551 1.00 0.00 C ATOM 365 O LYS A 23 4.178 -13.695 -3.728 1.00 0.00 O ATOM 366 CB LYS A 23 1.174 -13.640 -5.096 1.00 0.00 C ATOM 367 CG LYS A 23 1.057 -13.965 -6.580 1.00 0.00 C ATOM 368 CD LYS A 23 0.328 -15.282 -6.809 1.00 0.00 C ATOM 369 CE LYS A 23 0.157 -15.583 -8.292 1.00 0.00 C ATOM 370 NZ LYS A 23 -0.668 -14.556 -8.986 1.00 0.00 N ATOM 0 H LYS A 23 2.189 -13.661 -2.454 1.00 0.00 H new ATOM 0 HA LYS A 23 1.814 -15.629 -4.641 1.00 0.00 H new ATOM 0 HB2 LYS A 23 0.176 -13.630 -4.658 1.00 0.00 H new ATOM 0 HB3 LYS A 23 1.581 -12.635 -4.987 1.00 0.00 H new ATOM 0 HG2 LYS A 23 0.525 -13.161 -7.088 1.00 0.00 H new ATOM 0 HG3 LYS A 23 2.052 -14.018 -7.021 1.00 0.00 H new ATOM 0 HD2 LYS A 23 0.883 -16.092 -6.335 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -0.651 -15.244 -6.331 1.00 0.00 H new ATOM 0 HE2 LYS A 23 1.138 -15.638 -8.765 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -0.309 -16.561 -8.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -0.870 -14.871 -9.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -1.562 -14.423 -8.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -0.149 -13.655 -9.015 1.00 0.00 H new ATOM 384 N THR A 24 4.052 -14.824 -5.661 1.00 0.00 N ATOM 385 CA THR A 24 5.455 -14.636 -5.975 1.00 0.00 C ATOM 386 C THR A 24 5.731 -13.210 -6.440 1.00 0.00 C ATOM 387 O THR A 24 4.971 -12.647 -7.229 1.00 0.00 O ATOM 388 CB THR A 24 5.901 -15.643 -7.044 1.00 0.00 C ATOM 389 OG1 THR A 24 4.785 -15.976 -7.886 1.00 0.00 O ATOM 390 CG2 THR A 24 6.455 -16.904 -6.398 1.00 0.00 C ATOM 0 H THR A 24 3.528 -15.351 -6.360 1.00 0.00 H new ATOM 0 HA THR A 24 6.030 -14.809 -5.065 1.00 0.00 H new ATOM 0 HB THR A 24 6.690 -15.189 -7.644 1.00 0.00 H new ATOM 0 HG1 THR A 24 5.071 -16.618 -8.569 1.00 0.00 H new ATOM 0 HG21 THR A 24 6.765 -17.604 -7.174 1.00 0.00 H new ATOM 0 HG22 THR A 24 7.313 -16.648 -5.776 1.00 0.00 H new ATOM 0 HG23 THR A 24 5.684 -17.365 -5.780 1.00 0.00 H new ATOM 398 N GLN A 25 6.816 -12.630 -5.935 1.00 0.00 N ATOM 399 CA GLN A 25 7.195 -11.264 -6.276 1.00 0.00 C ATOM 400 C GLN A 25 7.441 -11.134 -7.775 1.00 0.00 C ATOM 401 O GLN A 25 7.041 -10.150 -8.404 1.00 0.00 O ATOM 402 CB GLN A 25 8.459 -10.861 -5.513 1.00 0.00 C ATOM 403 CG GLN A 25 8.317 -10.923 -4.003 1.00 0.00 C ATOM 404 CD GLN A 25 9.579 -10.483 -3.289 1.00 0.00 C ATOM 405 OE1 GLN A 25 10.471 -11.287 -3.016 1.00 0.00 O ATOM 406 NE2 GLN A 25 9.667 -9.201 -2.977 1.00 0.00 N ATOM 0 H GLN A 25 7.452 -13.090 -5.283 1.00 0.00 H new ATOM 0 HA GLN A 25 6.376 -10.602 -5.994 1.00 0.00 H new ATOM 0 HB2 GLN A 25 9.278 -11.513 -5.817 1.00 0.00 H new ATOM 0 HB3 GLN A 25 8.736 -9.847 -5.800 1.00 0.00 H new ATOM 0 HG2 GLN A 25 7.486 -10.289 -3.692 1.00 0.00 H new ATOM 0 HG3 GLN A 25 8.070 -11.942 -3.705 1.00 0.00 H new ATOM 0 HE21 GLN A 25 8.908 -8.564 -3.219 1.00 0.00 H new ATOM 0 HE22 GLN A 25 10.494 -8.849 -2.494 1.00 0.00 H new ATOM 415 N LEU A 26 8.107 -12.140 -8.332 1.00 0.00 N ATOM 416 CA LEU A 26 8.383 -12.202 -9.756 1.00 0.00 C ATOM 417 C LEU A 26 7.085 -12.133 -10.562 1.00 0.00 C ATOM 418 O LEU A 26 7.002 -11.417 -11.557 1.00 0.00 O ATOM 419 CB LEU A 26 9.132 -13.500 -10.065 1.00 0.00 C ATOM 420 CG LEU A 26 10.232 -13.382 -11.116 1.00 0.00 C ATOM 421 CD1 LEU A 26 11.130 -14.607 -11.080 1.00 0.00 C ATOM 422 CD2 LEU A 26 9.641 -13.203 -12.508 1.00 0.00 C ATOM 0 H LEU A 26 8.470 -12.935 -7.805 1.00 0.00 H new ATOM 0 HA LEU A 26 8.999 -11.349 -10.039 1.00 0.00 H new ATOM 0 HB2 LEU A 26 9.573 -13.875 -9.141 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.411 -14.246 -10.399 1.00 0.00 H new ATOM 0 HG LEU A 26 10.828 -12.500 -10.884 1.00 0.00 H new ATOM 0 HD11 LEU A 26 11.910 -14.509 -11.835 1.00 0.00 H new ATOM 0 HD12 LEU A 26 11.588 -14.694 -10.095 1.00 0.00 H new ATOM 0 HD13 LEU A 26 10.537 -15.499 -11.284 1.00 0.00 H new ATOM 0 HD21 LEU A 26 10.447 -13.122 -13.238 1.00 0.00 H new ATOM 0 HD22 LEU A 26 9.017 -14.063 -12.751 1.00 0.00 H new ATOM 0 HD23 LEU A 26 9.036 -12.297 -12.533 1.00 0.00 H new ATOM 434 N GLU A 27 6.078 -12.875 -10.108 1.00 0.00 N ATOM 435 CA GLU A 27 4.780 -12.917 -10.755 1.00 0.00 C ATOM 436 C GLU A 27 4.156 -11.527 -10.795 1.00 0.00 C ATOM 437 O GLU A 27 3.713 -11.059 -11.846 1.00 0.00 O ATOM 438 CB GLU A 27 3.885 -13.870 -9.973 1.00 0.00 C ATOM 439 CG GLU A 27 2.910 -14.655 -10.820 1.00 0.00 C ATOM 440 CD GLU A 27 1.877 -13.784 -11.505 1.00 0.00 C ATOM 441 OE1 GLU A 27 1.030 -13.193 -10.801 1.00 0.00 O ATOM 442 OE2 GLU A 27 1.896 -13.701 -12.750 1.00 0.00 O ATOM 0 H GLU A 27 6.145 -13.464 -9.278 1.00 0.00 H new ATOM 0 HA GLU A 27 4.893 -13.264 -11.782 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.514 -14.570 -9.424 1.00 0.00 H new ATOM 0 HB3 GLU A 27 3.325 -13.297 -9.234 1.00 0.00 H new ATOM 0 HG2 GLU A 27 3.463 -15.214 -11.575 1.00 0.00 H new ATOM 0 HG3 GLU A 27 2.400 -15.386 -10.192 1.00 0.00 H new ATOM 449 N ILE A 28 4.138 -10.866 -9.642 1.00 0.00 N ATOM 450 CA ILE A 28 3.555 -9.541 -9.531 1.00 0.00 C ATOM 451 C ILE A 28 4.263 -8.561 -10.465 1.00 0.00 C ATOM 452 O ILE A 28 3.619 -7.833 -11.217 1.00 0.00 O ATOM 453 CB ILE A 28 3.623 -9.010 -8.083 1.00 0.00 C ATOM 454 CG1 ILE A 28 2.991 -10.021 -7.120 1.00 0.00 C ATOM 455 CG2 ILE A 28 2.925 -7.659 -7.977 1.00 0.00 C ATOM 456 CD1 ILE A 28 3.064 -9.606 -5.661 1.00 0.00 C ATOM 0 H ILE A 28 4.523 -11.231 -8.771 1.00 0.00 H new ATOM 0 HA ILE A 28 2.507 -9.625 -9.819 1.00 0.00 H new ATOM 0 HB ILE A 28 4.669 -8.876 -7.808 1.00 0.00 H new ATOM 0 HG12 ILE A 28 1.946 -10.166 -7.395 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.489 -10.983 -7.240 1.00 0.00 H new ATOM 0 HG21 ILE A 28 2.982 -7.299 -6.950 1.00 0.00 H new ATOM 0 HG22 ILE A 28 3.413 -6.944 -8.639 1.00 0.00 H new ATOM 0 HG23 ILE A 28 1.879 -7.766 -8.266 1.00 0.00 H new ATOM 0 HD11 ILE A 28 2.597 -10.371 -5.041 1.00 0.00 H new ATOM 0 HD12 ILE A 28 4.107 -9.489 -5.368 1.00 0.00 H new ATOM 0 HD13 ILE A 28 2.541 -8.660 -5.525 1.00 0.00 H new ATOM 468 N ALA A 29 5.593 -8.572 -10.430 1.00 0.00 N ATOM 469 CA ALA A 29 6.393 -7.693 -11.273 1.00 0.00 C ATOM 470 C ALA A 29 6.159 -7.992 -12.752 1.00 0.00 C ATOM 471 O ALA A 29 6.085 -7.078 -13.580 1.00 0.00 O ATOM 472 CB ALA A 29 7.869 -7.837 -10.936 1.00 0.00 C ATOM 0 H ALA A 29 6.140 -9.183 -9.824 1.00 0.00 H new ATOM 0 HA ALA A 29 6.085 -6.666 -11.079 1.00 0.00 H new ATOM 0 HB1 ALA A 29 8.454 -7.174 -11.574 1.00 0.00 H new ATOM 0 HB2 ALA A 29 8.031 -7.572 -9.891 1.00 0.00 H new ATOM 0 HB3 ALA A 29 8.181 -8.868 -11.101 1.00 0.00 H new ATOM 478 N LYS A 30 6.034 -9.273 -13.069 1.00 0.00 N ATOM 479 CA LYS A 30 5.780 -9.712 -14.435 1.00 0.00 C ATOM 480 C LYS A 30 4.430 -9.191 -14.922 1.00 0.00 C ATOM 481 O LYS A 30 4.302 -8.745 -16.062 1.00 0.00 O ATOM 482 CB LYS A 30 5.842 -11.248 -14.501 1.00 0.00 C ATOM 483 CG LYS A 30 5.507 -11.854 -15.857 1.00 0.00 C ATOM 484 CD LYS A 30 4.012 -12.100 -16.017 1.00 0.00 C ATOM 485 CE LYS A 30 3.703 -12.834 -17.307 1.00 0.00 C ATOM 486 NZ LYS A 30 2.247 -13.085 -17.462 1.00 0.00 N ATOM 0 H LYS A 30 6.105 -10.033 -12.392 1.00 0.00 H new ATOM 0 HA LYS A 30 6.547 -9.305 -15.094 1.00 0.00 H new ATOM 0 HB2 LYS A 30 6.844 -11.567 -14.216 1.00 0.00 H new ATOM 0 HB3 LYS A 30 5.155 -11.655 -13.759 1.00 0.00 H new ATOM 0 HG2 LYS A 30 5.852 -11.187 -16.647 1.00 0.00 H new ATOM 0 HG3 LYS A 30 6.044 -12.795 -15.977 1.00 0.00 H new ATOM 0 HD2 LYS A 30 3.645 -12.681 -15.170 1.00 0.00 H new ATOM 0 HD3 LYS A 30 3.482 -11.147 -16.004 1.00 0.00 H new ATOM 0 HE2 LYS A 30 4.063 -12.249 -18.153 1.00 0.00 H new ATOM 0 HE3 LYS A 30 4.239 -13.783 -17.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 2.075 -13.589 -18.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 1.908 -13.664 -16.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 1.738 -12.178 -17.472 1.00 0.00 H new ATOM 500 N SER A 31 3.432 -9.233 -14.046 1.00 0.00 N ATOM 501 CA SER A 31 2.090 -8.783 -14.390 1.00 0.00 C ATOM 502 C SER A 31 2.043 -7.259 -14.523 1.00 0.00 C ATOM 503 O SER A 31 1.127 -6.702 -15.131 1.00 0.00 O ATOM 504 CB SER A 31 1.090 -9.263 -13.334 1.00 0.00 C ATOM 505 OG SER A 31 -0.246 -8.990 -13.722 1.00 0.00 O ATOM 0 H SER A 31 3.529 -9.575 -13.090 1.00 0.00 H new ATOM 0 HA SER A 31 1.817 -9.212 -15.354 1.00 0.00 H new ATOM 0 HB2 SER A 31 1.212 -10.335 -13.176 1.00 0.00 H new ATOM 0 HB3 SER A 31 1.301 -8.774 -12.383 1.00 0.00 H new ATOM 0 HG SER A 31 -0.855 -9.236 -12.994 1.00 0.00 H new ATOM 511 N ILE A 32 3.030 -6.590 -13.944 1.00 0.00 N ATOM 512 CA ILE A 32 3.146 -5.143 -14.062 1.00 0.00 C ATOM 513 C ILE A 32 3.813 -4.773 -15.382 1.00 0.00 C ATOM 514 O ILE A 32 3.362 -3.874 -16.093 1.00 0.00 O ATOM 515 CB ILE A 32 3.970 -4.544 -12.899 1.00 0.00 C ATOM 516 CG1 ILE A 32 3.278 -4.809 -11.562 1.00 0.00 C ATOM 517 CG2 ILE A 32 4.188 -3.048 -13.097 1.00 0.00 C ATOM 518 CD1 ILE A 32 4.128 -4.449 -10.363 1.00 0.00 C ATOM 0 H ILE A 32 3.764 -7.027 -13.386 1.00 0.00 H new ATOM 0 HA ILE A 32 2.137 -4.732 -14.025 1.00 0.00 H new ATOM 0 HB ILE A 32 4.945 -5.031 -12.890 1.00 0.00 H new ATOM 0 HG12 ILE A 32 2.349 -4.240 -11.523 1.00 0.00 H new ATOM 0 HG13 ILE A 32 3.009 -5.864 -11.504 1.00 0.00 H new ATOM 0 HG21 ILE A 32 4.770 -2.652 -12.265 1.00 0.00 H new ATOM 0 HG22 ILE A 32 4.726 -2.879 -14.030 1.00 0.00 H new ATOM 0 HG23 ILE A 32 3.223 -2.542 -13.138 1.00 0.00 H new ATOM 0 HD11 ILE A 32 3.575 -4.662 -9.448 1.00 0.00 H new ATOM 0 HD12 ILE A 32 5.046 -5.037 -10.378 1.00 0.00 H new ATOM 0 HD13 ILE A 32 4.376 -3.388 -10.398 1.00 0.00 H new ATOM 530 N GLY A 33 4.881 -5.485 -15.703 1.00 0.00 N ATOM 531 CA GLY A 33 5.659 -5.171 -16.881 1.00 0.00 C ATOM 532 C GLY A 33 7.044 -4.681 -16.518 1.00 0.00 C ATOM 533 O GLY A 33 7.694 -3.980 -17.294 1.00 0.00 O ATOM 0 H GLY A 33 5.225 -6.280 -15.164 1.00 0.00 H new ATOM 0 HA2 GLY A 33 5.739 -6.056 -17.512 1.00 0.00 H new ATOM 0 HA3 GLY A 33 5.144 -4.409 -17.466 1.00 0.00 H new ATOM 537 N VAL A 34 7.493 -5.051 -15.326 1.00 0.00 N ATOM 538 CA VAL A 34 8.809 -4.670 -14.846 1.00 0.00 C ATOM 539 C VAL A 34 9.594 -5.908 -14.444 1.00 0.00 C ATOM 540 O VAL A 34 9.124 -7.033 -14.623 1.00 0.00 O ATOM 541 CB VAL A 34 8.727 -3.700 -13.641 1.00 0.00 C ATOM 542 CG1 VAL A 34 8.095 -2.379 -14.054 1.00 0.00 C ATOM 543 CG2 VAL A 34 7.952 -4.323 -12.485 1.00 0.00 C ATOM 0 H VAL A 34 6.957 -5.620 -14.670 1.00 0.00 H new ATOM 0 HA VAL A 34 9.316 -4.154 -15.661 1.00 0.00 H new ATOM 0 HB VAL A 34 9.744 -3.505 -13.301 1.00 0.00 H new ATOM 0 HG11 VAL A 34 8.047 -1.713 -13.192 1.00 0.00 H new ATOM 0 HG12 VAL A 34 8.696 -1.917 -14.837 1.00 0.00 H new ATOM 0 HG13 VAL A 34 7.088 -2.559 -14.429 1.00 0.00 H new ATOM 0 HG21 VAL A 34 7.911 -3.619 -11.654 1.00 0.00 H new ATOM 0 HG22 VAL A 34 6.939 -4.559 -12.811 1.00 0.00 H new ATOM 0 HG23 VAL A 34 8.451 -5.237 -12.163 1.00 0.00 H new ATOM 553 N SER A 35 10.785 -5.707 -13.914 1.00 0.00 N ATOM 554 CA SER A 35 11.618 -6.814 -13.481 1.00 0.00 C ATOM 555 C SER A 35 11.549 -6.967 -11.962 1.00 0.00 C ATOM 556 O SER A 35 11.217 -6.014 -11.255 1.00 0.00 O ATOM 557 CB SER A 35 13.056 -6.583 -13.941 1.00 0.00 C ATOM 558 OG SER A 35 13.118 -6.461 -15.352 1.00 0.00 O ATOM 0 H SER A 35 11.199 -4.786 -13.772 1.00 0.00 H new ATOM 0 HA SER A 35 11.252 -7.738 -13.929 1.00 0.00 H new ATOM 0 HB2 SER A 35 13.451 -5.680 -13.475 1.00 0.00 H new ATOM 0 HB3 SER A 35 13.685 -7.411 -13.615 1.00 0.00 H new ATOM 0 HG SER A 35 14.047 -6.312 -15.627 1.00 0.00 H new ATOM 564 N PRO A 36 11.842 -8.169 -11.438 1.00 0.00 N ATOM 565 CA PRO A 36 11.843 -8.425 -9.992 1.00 0.00 C ATOM 566 C PRO A 36 12.785 -7.484 -9.236 1.00 0.00 C ATOM 567 O PRO A 36 12.535 -7.144 -8.083 1.00 0.00 O ATOM 568 CB PRO A 36 12.311 -9.881 -9.876 1.00 0.00 C ATOM 569 CG PRO A 36 12.026 -10.485 -11.207 1.00 0.00 C ATOM 570 CD PRO A 36 12.182 -9.378 -12.210 1.00 0.00 C ATOM 0 HA PRO A 36 10.862 -8.254 -9.549 1.00 0.00 H new ATOM 0 HB2 PRO A 36 13.373 -9.936 -9.637 1.00 0.00 H new ATOM 0 HB3 PRO A 36 11.778 -10.405 -9.083 1.00 0.00 H new ATOM 0 HG2 PRO A 36 12.715 -11.303 -11.419 1.00 0.00 H new ATOM 0 HG3 PRO A 36 11.019 -10.900 -11.239 1.00 0.00 H new ATOM 0 HD2 PRO A 36 13.198 -9.332 -12.603 1.00 0.00 H new ATOM 0 HD3 PRO A 36 11.516 -9.511 -13.063 1.00 0.00 H new ATOM 578 N GLN A 37 13.857 -7.057 -9.899 1.00 0.00 N ATOM 579 CA GLN A 37 14.773 -6.072 -9.330 1.00 0.00 C ATOM 580 C GLN A 37 14.058 -4.742 -9.120 1.00 0.00 C ATOM 581 O GLN A 37 14.248 -4.071 -8.107 1.00 0.00 O ATOM 582 CB GLN A 37 15.971 -5.862 -10.254 1.00 0.00 C ATOM 583 CG GLN A 37 17.077 -5.017 -9.640 1.00 0.00 C ATOM 584 CD GLN A 37 18.227 -4.777 -10.597 1.00 0.00 C ATOM 585 OE1 GLN A 37 18.039 -4.715 -11.812 1.00 0.00 O ATOM 586 NE2 GLN A 37 19.428 -4.645 -10.057 1.00 0.00 N ATOM 0 H GLN A 37 14.113 -7.378 -10.833 1.00 0.00 H new ATOM 0 HA GLN A 37 15.123 -6.448 -8.369 1.00 0.00 H new ATOM 0 HB2 GLN A 37 16.380 -6.834 -10.531 1.00 0.00 H new ATOM 0 HB3 GLN A 37 15.630 -5.386 -11.173 1.00 0.00 H new ATOM 0 HG2 GLN A 37 16.665 -4.058 -9.326 1.00 0.00 H new ATOM 0 HG3 GLN A 37 17.452 -5.512 -8.744 1.00 0.00 H new ATOM 0 HE21 GLN A 37 19.541 -4.703 -9.045 1.00 0.00 H new ATOM 0 HE22 GLN A 37 20.240 -4.485 -10.653 1.00 0.00 H new ATOM 595 N THR A 38 13.216 -4.386 -10.079 1.00 0.00 N ATOM 596 CA THR A 38 12.466 -3.144 -10.015 1.00 0.00 C ATOM 597 C THR A 38 11.463 -3.228 -8.876 1.00 0.00 C ATOM 598 O THR A 38 11.267 -2.282 -8.116 1.00 0.00 O ATOM 599 CB THR A 38 11.717 -2.879 -11.336 1.00 0.00 C ATOM 600 OG1 THR A 38 12.583 -3.144 -12.451 1.00 0.00 O ATOM 601 CG2 THR A 38 11.226 -1.441 -11.402 1.00 0.00 C ATOM 0 H THR A 38 13.036 -4.944 -10.914 1.00 0.00 H new ATOM 0 HA THR A 38 13.164 -2.324 -9.847 1.00 0.00 H new ATOM 0 HB THR A 38 10.854 -3.543 -11.378 1.00 0.00 H new ATOM 0 HG1 THR A 38 12.101 -2.975 -13.287 1.00 0.00 H new ATOM 0 HG21 THR A 38 10.701 -1.279 -12.343 1.00 0.00 H new ATOM 0 HG22 THR A 38 10.548 -1.250 -10.570 1.00 0.00 H new ATOM 0 HG23 THR A 38 12.077 -0.763 -11.340 1.00 0.00 H new ATOM 609 N PHE A 39 10.861 -4.398 -8.753 1.00 0.00 N ATOM 610 CA PHE A 39 9.916 -4.676 -7.690 1.00 0.00 C ATOM 611 C PHE A 39 10.618 -4.630 -6.335 1.00 0.00 C ATOM 612 O PHE A 39 10.049 -4.195 -5.334 1.00 0.00 O ATOM 613 CB PHE A 39 9.297 -6.052 -7.920 1.00 0.00 C ATOM 614 CG PHE A 39 8.084 -6.322 -7.076 1.00 0.00 C ATOM 615 CD1 PHE A 39 6.864 -5.741 -7.383 1.00 0.00 C ATOM 616 CD2 PHE A 39 8.168 -7.152 -5.971 1.00 0.00 C ATOM 617 CE1 PHE A 39 5.751 -5.987 -6.604 1.00 0.00 C ATOM 618 CE2 PHE A 39 7.058 -7.402 -5.189 1.00 0.00 C ATOM 619 CZ PHE A 39 5.848 -6.817 -5.505 1.00 0.00 C ATOM 0 H PHE A 39 11.015 -5.181 -9.388 1.00 0.00 H new ATOM 0 HA PHE A 39 9.131 -3.920 -7.694 1.00 0.00 H new ATOM 0 HB2 PHE A 39 9.024 -6.146 -8.971 1.00 0.00 H new ATOM 0 HB3 PHE A 39 10.047 -6.816 -7.716 1.00 0.00 H new ATOM 0 HD1 PHE A 39 6.783 -5.089 -8.240 1.00 0.00 H new ATOM 0 HD2 PHE A 39 9.113 -7.609 -5.718 1.00 0.00 H new ATOM 0 HE1 PHE A 39 4.805 -5.530 -6.854 1.00 0.00 H new ATOM 0 HE2 PHE A 39 7.136 -8.054 -4.332 1.00 0.00 H new ATOM 0 HZ PHE A 39 4.979 -7.008 -4.893 1.00 0.00 H new ATOM 629 N ASN A 40 11.870 -5.071 -6.320 1.00 0.00 N ATOM 630 CA ASN A 40 12.670 -5.104 -5.101 1.00 0.00 C ATOM 631 C ASN A 40 12.923 -3.699 -4.565 1.00 0.00 C ATOM 632 O ASN A 40 12.903 -3.481 -3.352 1.00 0.00 O ATOM 633 CB ASN A 40 13.999 -5.819 -5.362 1.00 0.00 C ATOM 634 CG ASN A 40 14.897 -5.866 -4.142 1.00 0.00 C ATOM 635 OD1 ASN A 40 15.755 -5.001 -3.952 1.00 0.00 O ATOM 636 ND2 ASN A 40 14.708 -6.876 -3.308 1.00 0.00 N ATOM 0 H ASN A 40 12.358 -5.414 -7.148 1.00 0.00 H new ATOM 0 HA ASN A 40 12.110 -5.655 -4.345 1.00 0.00 H new ATOM 0 HB2 ASN A 40 13.798 -6.836 -5.697 1.00 0.00 H new ATOM 0 HB3 ASN A 40 14.524 -5.314 -6.173 1.00 0.00 H new ATOM 0 HD21 ASN A 40 15.284 -6.960 -2.470 1.00 0.00 H new ATOM 0 HD22 ASN A 40 13.987 -7.570 -3.503 1.00 0.00 H new ATOM 643 N THR A 41 13.140 -2.738 -5.463 1.00 0.00 N ATOM 644 CA THR A 41 13.405 -1.365 -5.046 1.00 0.00 C ATOM 645 C THR A 41 12.190 -0.760 -4.341 1.00 0.00 C ATOM 646 O THR A 41 12.322 0.161 -3.538 1.00 0.00 O ATOM 647 CB THR A 41 13.828 -0.459 -6.227 1.00 0.00 C ATOM 648 OG1 THR A 41 12.786 -0.366 -7.206 1.00 0.00 O ATOM 649 CG2 THR A 41 15.095 -0.988 -6.884 1.00 0.00 C ATOM 0 H THR A 41 13.137 -2.884 -6.472 1.00 0.00 H new ATOM 0 HA THR A 41 14.240 -1.413 -4.347 1.00 0.00 H new ATOM 0 HB THR A 41 14.021 0.535 -5.824 1.00 0.00 H new ATOM 0 HG1 THR A 41 12.276 -1.203 -7.221 1.00 0.00 H new ATOM 0 HG21 THR A 41 15.375 -0.336 -7.712 1.00 0.00 H new ATOM 0 HG22 THR A 41 15.902 -1.011 -6.152 1.00 0.00 H new ATOM 0 HG23 THR A 41 14.917 -1.996 -7.260 1.00 0.00 H new ATOM 657 N TRP A 42 11.013 -1.299 -4.634 1.00 0.00 N ATOM 658 CA TRP A 42 9.791 -0.850 -3.989 1.00 0.00 C ATOM 659 C TRP A 42 9.557 -1.642 -2.708 1.00 0.00 C ATOM 660 O TRP A 42 9.172 -1.088 -1.682 1.00 0.00 O ATOM 661 CB TRP A 42 8.594 -1.025 -4.928 1.00 0.00 C ATOM 662 CG TRP A 42 8.781 -0.394 -6.275 1.00 0.00 C ATOM 663 CD1 TRP A 42 9.574 0.673 -6.583 1.00 0.00 C ATOM 664 CD2 TRP A 42 8.142 -0.786 -7.494 1.00 0.00 C ATOM 665 NE1 TRP A 42 9.481 0.957 -7.922 1.00 0.00 N ATOM 666 CE2 TRP A 42 8.603 0.079 -8.504 1.00 0.00 C ATOM 667 CE3 TRP A 42 7.229 -1.790 -7.832 1.00 0.00 C ATOM 668 CZ2 TRP A 42 8.177 -0.027 -9.824 1.00 0.00 C ATOM 669 CZ3 TRP A 42 6.808 -1.893 -9.144 1.00 0.00 C ATOM 670 CH2 TRP A 42 7.283 -1.017 -10.126 1.00 0.00 C ATOM 0 H TRP A 42 10.881 -2.047 -5.314 1.00 0.00 H new ATOM 0 HA TRP A 42 9.897 0.207 -3.746 1.00 0.00 H new ATOM 0 HB2 TRP A 42 8.401 -2.090 -5.060 1.00 0.00 H new ATOM 0 HB3 TRP A 42 7.709 -0.597 -4.457 1.00 0.00 H new ATOM 0 HD1 TRP A 42 10.185 1.215 -5.876 1.00 0.00 H new ATOM 0 HE1 TRP A 42 9.984 1.701 -8.406 1.00 0.00 H new ATOM 0 HE3 TRP A 42 6.860 -2.473 -7.081 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 8.540 0.649 -10.584 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 6.101 -2.662 -9.416 1.00 0.00 H new ATOM 0 HH2 TRP A 42 6.937 -1.125 -11.143 1.00 0.00 H new ATOM 681 N CYS A 43 9.817 -2.942 -2.780 1.00 0.00 N ATOM 682 CA CYS A 43 9.586 -3.850 -1.661 1.00 0.00 C ATOM 683 C CYS A 43 10.505 -3.527 -0.482 1.00 0.00 C ATOM 684 O CYS A 43 10.096 -3.614 0.678 1.00 0.00 O ATOM 685 CB CYS A 43 9.803 -5.294 -2.130 1.00 0.00 C ATOM 686 SG CYS A 43 9.320 -6.557 -0.935 1.00 0.00 S ATOM 0 H CYS A 43 10.193 -3.396 -3.612 1.00 0.00 H new ATOM 0 HA CYS A 43 8.559 -3.727 -1.317 1.00 0.00 H new ATOM 0 HB2 CYS A 43 9.241 -5.451 -3.051 1.00 0.00 H new ATOM 0 HB3 CYS A 43 10.857 -5.428 -2.373 1.00 0.00 H new ATOM 0 HG CYS A 43 10.191 -7.522 -0.947 1.00 0.00 H new ATOM 692 N LYS A 44 11.741 -3.146 -0.780 1.00 0.00 N ATOM 693 CA LYS A 44 12.697 -2.775 0.248 1.00 0.00 C ATOM 694 C LYS A 44 12.521 -1.321 0.669 1.00 0.00 C ATOM 695 O LYS A 44 13.230 -0.832 1.554 1.00 0.00 O ATOM 696 CB LYS A 44 14.106 -3.007 -0.278 1.00 0.00 C ATOM 697 CG LYS A 44 14.898 -3.985 0.557 1.00 0.00 C ATOM 698 CD LYS A 44 15.554 -3.303 1.745 1.00 0.00 C ATOM 699 CE LYS A 44 16.037 -4.314 2.768 1.00 0.00 C ATOM 700 NZ LYS A 44 14.910 -4.892 3.547 1.00 0.00 N ATOM 0 H LYS A 44 12.103 -3.087 -1.732 1.00 0.00 H new ATOM 0 HA LYS A 44 12.525 -3.394 1.129 1.00 0.00 H new ATOM 0 HB2 LYS A 44 14.049 -3.376 -1.302 1.00 0.00 H new ATOM 0 HB3 LYS A 44 14.636 -2.055 -0.312 1.00 0.00 H new ATOM 0 HG2 LYS A 44 14.240 -4.779 0.910 1.00 0.00 H new ATOM 0 HG3 LYS A 44 15.663 -4.456 -0.061 1.00 0.00 H new ATOM 0 HD2 LYS A 44 16.395 -2.701 1.402 1.00 0.00 H new ATOM 0 HD3 LYS A 44 14.844 -2.621 2.213 1.00 0.00 H new ATOM 0 HE2 LYS A 44 16.577 -5.114 2.262 1.00 0.00 H new ATOM 0 HE3 LYS A 44 16.741 -3.835 3.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 15.286 -5.431 4.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 14.301 -4.125 3.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 14.354 -5.524 2.936 1.00 0.00 H new ATOM 714 N GLY A 45 11.571 -0.638 0.041 1.00 0.00 N ATOM 715 CA GLY A 45 11.351 0.765 0.332 1.00 0.00 C ATOM 716 C GLY A 45 12.556 1.617 -0.008 1.00 0.00 C ATOM 717 O GLY A 45 12.980 2.457 0.786 1.00 0.00 O ATOM 0 H GLY A 45 10.949 -1.032 -0.665 1.00 0.00 H new ATOM 0 HA2 GLY A 45 10.487 1.120 -0.231 1.00 0.00 H new ATOM 0 HA3 GLY A 45 11.113 0.882 1.389 1.00 0.00 H new ATOM 721 N ILE A 46 13.116 1.393 -1.188 1.00 0.00 N ATOM 722 CA ILE A 46 14.282 2.136 -1.637 1.00 0.00 C ATOM 723 C ILE A 46 13.853 3.347 -2.457 1.00 0.00 C ATOM 724 O ILE A 46 14.299 4.468 -2.209 1.00 0.00 O ATOM 725 CB ILE A 46 15.225 1.250 -2.484 1.00 0.00 C ATOM 726 CG1 ILE A 46 15.699 0.044 -1.667 1.00 0.00 C ATOM 727 CG2 ILE A 46 16.415 2.060 -2.986 1.00 0.00 C ATOM 728 CD1 ILE A 46 16.560 -0.925 -2.453 1.00 0.00 C ATOM 0 H ILE A 46 12.778 0.698 -1.854 1.00 0.00 H new ATOM 0 HA ILE A 46 14.823 2.466 -0.750 1.00 0.00 H new ATOM 0 HB ILE A 46 14.672 0.885 -3.350 1.00 0.00 H new ATOM 0 HG12 ILE A 46 16.263 0.400 -0.805 1.00 0.00 H new ATOM 0 HG13 ILE A 46 14.829 -0.487 -1.282 1.00 0.00 H new ATOM 0 HG21 ILE A 46 17.067 1.419 -3.580 1.00 0.00 H new ATOM 0 HG22 ILE A 46 16.059 2.886 -3.602 1.00 0.00 H new ATOM 0 HG23 ILE A 46 16.971 2.455 -2.136 1.00 0.00 H new ATOM 0 HD11 ILE A 46 16.857 -1.752 -1.809 1.00 0.00 H new ATOM 0 HD12 ILE A 46 15.993 -1.310 -3.300 1.00 0.00 H new ATOM 0 HD13 ILE A 46 17.449 -0.410 -2.816 1.00 0.00 H new ATOM 740 N ALA A 47 12.974 3.116 -3.417 1.00 0.00 N ATOM 741 CA ALA A 47 12.497 4.175 -4.288 1.00 0.00 C ATOM 742 C ALA A 47 10.992 4.070 -4.481 1.00 0.00 C ATOM 743 O ALA A 47 10.419 2.987 -4.363 1.00 0.00 O ATOM 744 CB ALA A 47 13.208 4.115 -5.634 1.00 0.00 C ATOM 0 H ALA A 47 12.574 2.198 -3.613 1.00 0.00 H new ATOM 0 HA ALA A 47 12.719 5.133 -3.819 1.00 0.00 H new ATOM 0 HB1 ALA A 47 12.840 4.915 -6.276 1.00 0.00 H new ATOM 0 HB2 ALA A 47 14.281 4.235 -5.484 1.00 0.00 H new ATOM 0 HB3 ALA A 47 13.013 3.152 -6.106 1.00 0.00 H new ATOM 750 N ILE A 48 10.360 5.198 -4.760 1.00 0.00 N ATOM 751 CA ILE A 48 8.934 5.225 -5.026 1.00 0.00 C ATOM 752 C ILE A 48 8.690 5.416 -6.516 1.00 0.00 C ATOM 753 O ILE A 48 9.211 6.351 -7.129 1.00 0.00 O ATOM 754 CB ILE A 48 8.223 6.341 -4.224 1.00 0.00 C ATOM 755 CG1 ILE A 48 8.346 6.069 -2.725 1.00 0.00 C ATOM 756 CG2 ILE A 48 6.757 6.446 -4.623 1.00 0.00 C ATOM 757 CD1 ILE A 48 7.821 7.192 -1.853 1.00 0.00 C ATOM 0 H ILE A 48 10.815 6.109 -4.808 1.00 0.00 H new ATOM 0 HA ILE A 48 8.516 4.271 -4.706 1.00 0.00 H new ATOM 0 HB ILE A 48 8.706 7.291 -4.453 1.00 0.00 H new ATOM 0 HG12 ILE A 48 7.805 5.153 -2.486 1.00 0.00 H new ATOM 0 HG13 ILE A 48 9.394 5.893 -2.482 1.00 0.00 H new ATOM 0 HG21 ILE A 48 6.279 7.237 -4.046 1.00 0.00 H new ATOM 0 HG22 ILE A 48 6.685 6.678 -5.686 1.00 0.00 H new ATOM 0 HG23 ILE A 48 6.257 5.498 -4.424 1.00 0.00 H new ATOM 0 HD11 ILE A 48 7.943 6.925 -0.803 1.00 0.00 H new ATOM 0 HD12 ILE A 48 8.378 8.106 -2.062 1.00 0.00 H new ATOM 0 HD13 ILE A 48 6.764 7.354 -2.066 1.00 0.00 H new ATOM 769 N PRO A 49 7.910 4.512 -7.116 1.00 0.00 N ATOM 770 CA PRO A 49 7.574 4.572 -8.539 1.00 0.00 C ATOM 771 C PRO A 49 6.624 5.726 -8.857 1.00 0.00 C ATOM 772 O PRO A 49 6.125 6.403 -7.957 1.00 0.00 O ATOM 773 CB PRO A 49 6.887 3.225 -8.788 1.00 0.00 C ATOM 774 CG PRO A 49 6.299 2.863 -7.468 1.00 0.00 C ATOM 775 CD PRO A 49 7.281 3.359 -6.445 1.00 0.00 C ATOM 0 HA PRO A 49 8.449 4.744 -9.166 1.00 0.00 H new ATOM 0 HB2 PRO A 49 6.119 3.306 -9.557 1.00 0.00 H new ATOM 0 HB3 PRO A 49 7.599 2.472 -9.127 1.00 0.00 H new ATOM 0 HG2 PRO A 49 5.322 3.327 -7.332 1.00 0.00 H new ATOM 0 HG3 PRO A 49 6.155 1.786 -7.384 1.00 0.00 H new ATOM 0 HD2 PRO A 49 6.785 3.652 -5.520 1.00 0.00 H new ATOM 0 HD3 PRO A 49 8.014 2.595 -6.186 1.00 0.00 H new ATOM 783 N ARG A 50 6.386 5.952 -10.138 1.00 0.00 N ATOM 784 CA ARG A 50 5.478 7.001 -10.563 1.00 0.00 C ATOM 785 C ARG A 50 4.074 6.429 -10.735 1.00 0.00 C ATOM 786 O ARG A 50 3.903 5.205 -10.737 1.00 0.00 O ATOM 787 CB ARG A 50 5.975 7.639 -11.861 1.00 0.00 C ATOM 788 CG ARG A 50 7.394 8.181 -11.759 1.00 0.00 C ATOM 789 CD ARG A 50 7.850 8.816 -13.061 1.00 0.00 C ATOM 790 NE ARG A 50 9.289 9.076 -13.059 1.00 0.00 N ATOM 791 CZ ARG A 50 9.962 9.560 -14.103 1.00 0.00 C ATOM 792 NH1 ARG A 50 9.313 9.986 -15.179 1.00 0.00 N ATOM 793 NH2 ARG A 50 11.286 9.657 -14.043 1.00 0.00 N ATOM 0 H ARG A 50 6.809 5.423 -10.900 1.00 0.00 H new ATOM 0 HA ARG A 50 5.443 7.778 -9.800 1.00 0.00 H new ATOM 0 HB2 ARG A 50 5.932 6.900 -12.661 1.00 0.00 H new ATOM 0 HB3 ARG A 50 5.303 8.450 -12.140 1.00 0.00 H new ATOM 0 HG2 ARG A 50 7.445 8.918 -10.958 1.00 0.00 H new ATOM 0 HG3 ARG A 50 8.074 7.372 -11.491 1.00 0.00 H new ATOM 0 HD2 ARG A 50 7.600 8.159 -13.894 1.00 0.00 H new ATOM 0 HD3 ARG A 50 7.311 9.750 -13.219 1.00 0.00 H new ATOM 0 HE ARG A 50 9.810 8.874 -12.206 1.00 0.00 H new ATOM 0 HH11 ARG A 50 8.294 9.944 -15.210 1.00 0.00 H new ATOM 0 HH12 ARG A 50 9.833 10.355 -15.975 1.00 0.00 H new ATOM 0 HH21 ARG A 50 11.781 9.362 -13.202 1.00 0.00 H new ATOM 0 HH22 ARG A 50 11.807 10.026 -14.838 1.00 0.00 H new ATOM 807 N MET A 51 3.087 7.309 -10.889 1.00 0.00 N ATOM 808 CA MET A 51 1.673 6.914 -10.922 1.00 0.00 C ATOM 809 C MET A 51 1.393 5.786 -11.904 1.00 0.00 C ATOM 810 O MET A 51 0.656 4.856 -11.579 1.00 0.00 O ATOM 811 CB MET A 51 0.782 8.112 -11.255 1.00 0.00 C ATOM 812 CG MET A 51 0.386 8.932 -10.041 1.00 0.00 C ATOM 813 SD MET A 51 -0.607 7.989 -8.864 1.00 0.00 S ATOM 814 CE MET A 51 -0.920 9.234 -7.611 1.00 0.00 C ATOM 0 H MET A 51 3.239 8.312 -10.994 1.00 0.00 H new ATOM 0 HA MET A 51 1.440 6.545 -9.923 1.00 0.00 H new ATOM 0 HB2 MET A 51 1.303 8.756 -11.963 1.00 0.00 H new ATOM 0 HB3 MET A 51 -0.120 7.756 -11.752 1.00 0.00 H new ATOM 0 HG2 MET A 51 1.285 9.296 -9.543 1.00 0.00 H new ATOM 0 HG3 MET A 51 -0.176 9.808 -10.366 1.00 0.00 H new ATOM 0 HE1 MET A 51 -1.524 8.803 -6.813 1.00 0.00 H new ATOM 0 HE2 MET A 51 0.027 9.583 -7.201 1.00 0.00 H new ATOM 0 HE3 MET A 51 -1.453 10.073 -8.057 1.00 0.00 H new ATOM 824 N GLY A 52 1.995 5.850 -13.089 1.00 0.00 N ATOM 825 CA GLY A 52 1.760 4.837 -14.107 1.00 0.00 C ATOM 826 C GLY A 52 2.086 3.436 -13.624 1.00 0.00 C ATOM 827 O GLY A 52 1.430 2.469 -14.010 1.00 0.00 O ATOM 0 H GLY A 52 2.644 6.588 -13.364 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.716 4.876 -14.419 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.364 5.064 -14.986 1.00 0.00 H new ATOM 831 N LYS A 53 3.089 3.329 -12.764 1.00 0.00 N ATOM 832 CA LYS A 53 3.491 2.040 -12.220 1.00 0.00 C ATOM 833 C LYS A 53 2.657 1.698 -10.992 1.00 0.00 C ATOM 834 O LYS A 53 2.331 0.535 -10.752 1.00 0.00 O ATOM 835 CB LYS A 53 4.979 2.054 -11.866 1.00 0.00 C ATOM 836 CG LYS A 53 5.874 2.388 -13.048 1.00 0.00 C ATOM 837 CD LYS A 53 7.349 2.322 -12.680 1.00 0.00 C ATOM 838 CE LYS A 53 8.223 2.780 -13.836 1.00 0.00 C ATOM 839 NZ LYS A 53 9.674 2.676 -13.526 1.00 0.00 N ATOM 0 H LYS A 53 3.639 4.119 -12.428 1.00 0.00 H new ATOM 0 HA LYS A 53 3.321 1.275 -12.978 1.00 0.00 H new ATOM 0 HB2 LYS A 53 5.150 2.781 -11.073 1.00 0.00 H new ATOM 0 HB3 LYS A 53 5.261 1.078 -11.470 1.00 0.00 H new ATOM 0 HG2 LYS A 53 5.672 1.694 -13.864 1.00 0.00 H new ATOM 0 HG3 LYS A 53 5.635 3.387 -13.413 1.00 0.00 H new ATOM 0 HD2 LYS A 53 7.538 2.948 -11.808 1.00 0.00 H new ATOM 0 HD3 LYS A 53 7.612 1.301 -12.403 1.00 0.00 H new ATOM 0 HE2 LYS A 53 7.999 2.179 -14.718 1.00 0.00 H new ATOM 0 HE3 LYS A 53 7.980 3.813 -14.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 10.228 3.000 -14.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 9.896 3.269 -12.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 9.914 1.686 -13.315 1.00 0.00 H new ATOM 853 N VAL A 54 2.307 2.724 -10.226 1.00 0.00 N ATOM 854 CA VAL A 54 1.456 2.559 -9.052 1.00 0.00 C ATOM 855 C VAL A 54 0.074 2.046 -9.459 1.00 0.00 C ATOM 856 O VAL A 54 -0.543 1.252 -8.744 1.00 0.00 O ATOM 857 CB VAL A 54 1.310 3.888 -8.269 1.00 0.00 C ATOM 858 CG1 VAL A 54 0.424 3.705 -7.048 1.00 0.00 C ATOM 859 CG2 VAL A 54 2.677 4.422 -7.860 1.00 0.00 C ATOM 0 H VAL A 54 2.601 3.685 -10.398 1.00 0.00 H new ATOM 0 HA VAL A 54 1.934 1.827 -8.401 1.00 0.00 H new ATOM 0 HB VAL A 54 0.836 4.617 -8.927 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.338 4.652 -6.516 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -0.566 3.374 -7.363 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.864 2.957 -6.388 1.00 0.00 H new ATOM 0 HG21 VAL A 54 2.554 5.356 -7.311 1.00 0.00 H new ATOM 0 HG22 VAL A 54 3.178 3.691 -7.225 1.00 0.00 H new ATOM 0 HG23 VAL A 54 3.279 4.602 -8.751 1.00 0.00 H new ATOM 869 N GLN A 55 -0.395 2.485 -10.625 1.00 0.00 N ATOM 870 CA GLN A 55 -1.682 2.043 -11.146 1.00 0.00 C ATOM 871 C GLN A 55 -1.689 0.536 -11.363 1.00 0.00 C ATOM 872 O GLN A 55 -2.697 -0.124 -11.113 1.00 0.00 O ATOM 873 CB GLN A 55 -2.022 2.753 -12.458 1.00 0.00 C ATOM 874 CG GLN A 55 -2.183 4.260 -12.325 1.00 0.00 C ATOM 875 CD GLN A 55 -3.162 4.651 -11.239 1.00 0.00 C ATOM 876 OE1 GLN A 55 -4.365 4.760 -11.479 1.00 0.00 O ATOM 877 NE2 GLN A 55 -2.654 4.885 -10.040 1.00 0.00 N ATOM 0 H GLN A 55 0.098 3.146 -11.225 1.00 0.00 H new ATOM 0 HA GLN A 55 -2.439 2.300 -10.405 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -1.237 2.545 -13.185 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -2.946 2.333 -12.857 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -1.212 4.707 -12.111 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -2.520 4.670 -13.277 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -1.651 4.783 -9.882 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -3.265 5.167 -9.273 1.00 0.00 H new ATOM 886 N ALA A 56 -0.565 -0.003 -11.819 1.00 0.00 N ATOM 887 CA ALA A 56 -0.449 -1.438 -12.051 1.00 0.00 C ATOM 888 C ALA A 56 -0.471 -2.197 -10.726 1.00 0.00 C ATOM 889 O ALA A 56 -1.115 -3.236 -10.606 1.00 0.00 O ATOM 890 CB ALA A 56 0.819 -1.749 -12.831 1.00 0.00 C ATOM 0 H ALA A 56 0.277 0.530 -12.035 1.00 0.00 H new ATOM 0 HA ALA A 56 -1.303 -1.764 -12.644 1.00 0.00 H new ATOM 0 HB1 ALA A 56 0.890 -2.824 -12.996 1.00 0.00 H new ATOM 0 HB2 ALA A 56 0.790 -1.236 -13.792 1.00 0.00 H new ATOM 0 HB3 ALA A 56 1.687 -1.410 -12.265 1.00 0.00 H new ATOM 896 N LEU A 57 0.224 -1.651 -9.734 1.00 0.00 N ATOM 897 CA LEU A 57 0.240 -2.222 -8.392 1.00 0.00 C ATOM 898 C LEU A 57 -1.169 -2.258 -7.812 1.00 0.00 C ATOM 899 O LEU A 57 -1.632 -3.290 -7.323 1.00 0.00 O ATOM 900 CB LEU A 57 1.152 -1.391 -7.484 1.00 0.00 C ATOM 901 CG LEU A 57 2.648 -1.485 -7.794 1.00 0.00 C ATOM 902 CD1 LEU A 57 3.413 -0.410 -7.036 1.00 0.00 C ATOM 903 CD2 LEU A 57 3.174 -2.866 -7.429 1.00 0.00 C ATOM 0 H LEU A 57 0.788 -0.807 -9.836 1.00 0.00 H new ATOM 0 HA LEU A 57 0.621 -3.242 -8.452 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.849 -0.346 -7.551 1.00 0.00 H new ATOM 0 HB3 LEU A 57 0.992 -1.703 -6.452 1.00 0.00 H new ATOM 0 HG LEU A 57 2.795 -1.327 -8.862 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.476 -0.489 -7.266 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.049 0.574 -7.333 1.00 0.00 H new ATOM 0 HD13 LEU A 57 3.263 -0.544 -5.965 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.239 -2.921 -7.654 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.018 -3.045 -6.365 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.642 -3.622 -8.006 1.00 0.00 H new ATOM 915 N ALA A 58 -1.852 -1.123 -7.895 1.00 0.00 N ATOM 916 CA ALA A 58 -3.199 -0.991 -7.364 1.00 0.00 C ATOM 917 C ALA A 58 -4.186 -1.883 -8.112 1.00 0.00 C ATOM 918 O ALA A 58 -5.181 -2.330 -7.544 1.00 0.00 O ATOM 919 CB ALA A 58 -3.652 0.459 -7.432 1.00 0.00 C ATOM 0 H ALA A 58 -1.489 -0.275 -8.330 1.00 0.00 H new ATOM 0 HA ALA A 58 -3.178 -1.313 -6.323 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -4.662 0.544 -7.031 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -2.975 1.080 -6.845 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -3.644 0.795 -8.469 1.00 0.00 H new ATOM 925 N ASP A 59 -3.903 -2.136 -9.384 1.00 0.00 N ATOM 926 CA ASP A 59 -4.781 -2.950 -10.222 1.00 0.00 C ATOM 927 C ASP A 59 -4.593 -4.431 -9.925 1.00 0.00 C ATOM 928 O ASP A 59 -5.561 -5.184 -9.856 1.00 0.00 O ATOM 929 CB ASP A 59 -4.508 -2.679 -11.706 1.00 0.00 C ATOM 930 CG ASP A 59 -5.459 -3.424 -12.623 1.00 0.00 C ATOM 931 OD1 ASP A 59 -6.550 -2.886 -12.919 1.00 0.00 O ATOM 932 OD2 ASP A 59 -5.117 -4.536 -13.069 1.00 0.00 O ATOM 0 H ASP A 59 -3.071 -1.789 -9.861 1.00 0.00 H new ATOM 0 HA ASP A 59 -5.811 -2.677 -9.994 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -4.590 -1.609 -11.897 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -3.483 -2.967 -11.941 1.00 0.00 H new ATOM 937 N TYR A 60 -3.342 -4.833 -9.731 1.00 0.00 N ATOM 938 CA TYR A 60 -3.022 -6.225 -9.435 1.00 0.00 C ATOM 939 C TYR A 60 -3.693 -6.671 -8.139 1.00 0.00 C ATOM 940 O TYR A 60 -4.219 -7.782 -8.048 1.00 0.00 O ATOM 941 CB TYR A 60 -1.507 -6.414 -9.330 1.00 0.00 C ATOM 942 CG TYR A 60 -1.090 -7.862 -9.195 1.00 0.00 C ATOM 943 CD1 TYR A 60 -1.003 -8.680 -10.313 1.00 0.00 C ATOM 944 CD2 TYR A 60 -0.800 -8.412 -7.954 1.00 0.00 C ATOM 945 CE1 TYR A 60 -0.633 -10.004 -10.198 1.00 0.00 C ATOM 946 CE2 TYR A 60 -0.430 -9.739 -7.832 1.00 0.00 C ATOM 947 CZ TYR A 60 -0.350 -10.529 -8.958 1.00 0.00 C ATOM 948 OH TYR A 60 0.011 -11.851 -8.847 1.00 0.00 O ATOM 0 H TYR A 60 -2.532 -4.214 -9.773 1.00 0.00 H new ATOM 0 HA TYR A 60 -3.400 -6.840 -10.252 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -1.033 -5.988 -10.214 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -1.137 -5.855 -8.470 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -1.228 -8.274 -11.288 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -0.864 -7.794 -7.070 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -0.566 -10.626 -11.078 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -0.205 -10.153 -6.860 1.00 0.00 H new ATOM 0 HH TYR A 60 0.609 -12.090 -9.585 1.00 0.00 H new ATOM 958 N PHE A 61 -3.671 -5.799 -7.140 1.00 0.00 N ATOM 959 CA PHE A 61 -4.310 -6.090 -5.864 1.00 0.00 C ATOM 960 C PHE A 61 -5.779 -5.685 -5.903 1.00 0.00 C ATOM 961 O PHE A 61 -6.560 -6.054 -5.026 1.00 0.00 O ATOM 962 CB PHE A 61 -3.582 -5.379 -4.724 1.00 0.00 C ATOM 963 CG PHE A 61 -2.225 -5.958 -4.428 1.00 0.00 C ATOM 964 CD1 PHE A 61 -1.097 -5.495 -5.087 1.00 0.00 C ATOM 965 CD2 PHE A 61 -2.081 -6.976 -3.497 1.00 0.00 C ATOM 966 CE1 PHE A 61 0.148 -6.032 -4.819 1.00 0.00 C ATOM 967 CE2 PHE A 61 -0.838 -7.514 -3.225 1.00 0.00 C ATOM 968 CZ PHE A 61 0.276 -7.044 -3.888 1.00 0.00 C ATOM 0 H PHE A 61 -3.219 -4.886 -7.188 1.00 0.00 H new ATOM 0 HA PHE A 61 -4.254 -7.164 -5.684 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -3.472 -4.324 -4.975 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -4.195 -5.430 -3.824 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -1.192 -4.706 -5.818 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -2.951 -7.352 -2.979 1.00 0.00 H new ATOM 0 HE1 PHE A 61 1.020 -5.661 -5.337 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -0.739 -8.302 -2.493 1.00 0.00 H new ATOM 0 HZ PHE A 61 1.248 -7.467 -3.679 1.00 0.00 H new ATOM 978 N ASN A 62 -6.133 -4.918 -6.931 1.00 0.00 N ATOM 979 CA ASN A 62 -7.518 -4.532 -7.210 1.00 0.00 C ATOM 980 C ASN A 62 -8.123 -3.724 -6.057 1.00 0.00 C ATOM 981 O ASN A 62 -9.325 -3.796 -5.794 1.00 0.00 O ATOM 982 CB ASN A 62 -8.372 -5.777 -7.493 1.00 0.00 C ATOM 983 CG ASN A 62 -9.667 -5.447 -8.220 1.00 0.00 C ATOM 984 OD1 ASN A 62 -10.697 -6.085 -8.000 1.00 0.00 O ATOM 985 ND2 ASN A 62 -9.619 -4.457 -9.102 1.00 0.00 N ATOM 0 H ASN A 62 -5.462 -4.542 -7.601 1.00 0.00 H new ATOM 0 HA ASN A 62 -7.512 -3.895 -8.094 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -7.794 -6.481 -8.091 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -8.605 -6.275 -6.552 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -10.455 -4.200 -9.627 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -8.746 -3.953 -9.255 1.00 0.00 H new ATOM 992 N ILE A 63 -7.295 -2.932 -5.390 1.00 0.00 N ATOM 993 CA ILE A 63 -7.766 -2.118 -4.274 1.00 0.00 C ATOM 994 C ILE A 63 -7.900 -0.645 -4.671 1.00 0.00 C ATOM 995 O ILE A 63 -8.971 -0.215 -5.103 1.00 0.00 O ATOM 996 CB ILE A 63 -6.851 -2.260 -3.031 1.00 0.00 C ATOM 997 CG1 ILE A 63 -5.392 -2.499 -3.443 1.00 0.00 C ATOM 998 CG2 ILE A 63 -7.351 -3.394 -2.143 1.00 0.00 C ATOM 999 CD1 ILE A 63 -4.424 -2.499 -2.278 1.00 0.00 C ATOM 0 H ILE A 63 -6.301 -2.835 -5.598 1.00 0.00 H new ATOM 0 HA ILE A 63 -8.755 -2.492 -4.008 1.00 0.00 H new ATOM 0 HB ILE A 63 -6.888 -1.328 -2.468 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -5.322 -3.455 -3.962 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -5.093 -1.728 -4.153 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -6.702 -3.487 -1.272 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -8.368 -3.179 -1.817 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -7.340 -4.328 -2.705 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.413 -2.674 -2.645 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -4.465 -1.535 -1.771 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -4.697 -3.289 -1.578 1.00 0.00 H new ATOM 1011 N ASN A 64 -6.816 0.110 -4.545 1.00 0.00 N ATOM 1012 CA ASN A 64 -6.784 1.510 -4.953 1.00 0.00 C ATOM 1013 C ASN A 64 -5.372 2.044 -4.761 1.00 0.00 C ATOM 1014 O ASN A 64 -4.568 1.437 -4.052 1.00 0.00 O ATOM 1015 CB ASN A 64 -7.767 2.357 -4.124 1.00 0.00 C ATOM 1016 CG ASN A 64 -8.228 3.616 -4.848 1.00 0.00 C ATOM 1017 OD1 ASN A 64 -7.516 4.166 -5.688 1.00 0.00 O ATOM 1018 ND2 ASN A 64 -9.426 4.081 -4.533 1.00 0.00 N ATOM 0 H ASN A 64 -5.935 -0.229 -4.158 1.00 0.00 H new ATOM 0 HA ASN A 64 -7.081 1.575 -6.000 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -8.637 1.751 -3.872 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -7.292 2.639 -3.184 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -9.784 4.919 -4.991 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -9.991 3.601 -3.832 1.00 0.00 H new ATOM 1025 N LYS A 65 -5.074 3.165 -5.390 1.00 0.00 N ATOM 1026 CA LYS A 65 -3.781 3.813 -5.238 1.00 0.00 C ATOM 1027 C LYS A 65 -3.648 4.396 -3.833 1.00 0.00 C ATOM 1028 O LYS A 65 -2.555 4.458 -3.272 1.00 0.00 O ATOM 1029 CB LYS A 65 -3.619 4.904 -6.302 1.00 0.00 C ATOM 1030 CG LYS A 65 -4.727 5.946 -6.280 1.00 0.00 C ATOM 1031 CD LYS A 65 -4.768 6.748 -7.570 1.00 0.00 C ATOM 1032 CE LYS A 65 -5.911 7.748 -7.562 1.00 0.00 C ATOM 1033 NZ LYS A 65 -6.172 8.305 -8.914 1.00 0.00 N ATOM 0 H LYS A 65 -5.715 3.651 -6.017 1.00 0.00 H new ATOM 0 HA LYS A 65 -2.990 3.076 -5.376 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -2.660 5.402 -6.157 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -3.590 4.438 -7.287 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -5.687 5.453 -6.127 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -4.576 6.620 -5.437 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -3.823 7.274 -7.704 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -4.879 6.072 -8.418 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -6.814 7.264 -7.189 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -5.677 8.560 -6.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -6.959 8.983 -8.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -5.319 8.789 -9.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -6.421 7.533 -9.565 1.00 0.00 H new ATOM 1047 N SER A 66 -4.779 4.793 -3.264 1.00 0.00 N ATOM 1048 CA SER A 66 -4.810 5.404 -1.945 1.00 0.00 C ATOM 1049 C SER A 66 -4.314 4.438 -0.868 1.00 0.00 C ATOM 1050 O SER A 66 -3.550 4.825 0.013 1.00 0.00 O ATOM 1051 CB SER A 66 -6.233 5.860 -1.635 1.00 0.00 C ATOM 1052 OG SER A 66 -6.745 6.653 -2.694 1.00 0.00 O ATOM 0 H SER A 66 -5.695 4.700 -3.703 1.00 0.00 H new ATOM 0 HA SER A 66 -4.140 6.264 -1.945 1.00 0.00 H new ATOM 0 HB2 SER A 66 -6.874 4.992 -1.481 1.00 0.00 H new ATOM 0 HB3 SER A 66 -6.243 6.432 -0.707 1.00 0.00 H new ATOM 0 HG SER A 66 -7.659 6.935 -2.479 1.00 0.00 H new ATOM 1058 N ASP A 67 -4.730 3.176 -0.971 1.00 0.00 N ATOM 1059 CA ASP A 67 -4.379 2.161 0.026 1.00 0.00 C ATOM 1060 C ASP A 67 -2.871 1.927 0.087 1.00 0.00 C ATOM 1061 O ASP A 67 -2.345 1.488 1.106 1.00 0.00 O ATOM 1062 CB ASP A 67 -5.077 0.831 -0.286 1.00 0.00 C ATOM 1063 CG ASP A 67 -6.586 0.916 -0.196 1.00 0.00 C ATOM 1064 OD1 ASP A 67 -7.229 1.233 -1.220 1.00 0.00 O ATOM 1065 OD2 ASP A 67 -7.138 0.660 0.894 1.00 0.00 O ATOM 0 H ASP A 67 -5.311 2.830 -1.735 1.00 0.00 H new ATOM 0 HA ASP A 67 -4.715 2.536 0.993 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -4.797 0.507 -1.288 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -4.720 0.069 0.407 1.00 0.00 H new ATOM 1070 N LEU A 68 -2.186 2.211 -1.010 1.00 0.00 N ATOM 1071 CA LEU A 68 -0.752 1.972 -1.092 1.00 0.00 C ATOM 1072 C LEU A 68 0.047 3.215 -0.710 1.00 0.00 C ATOM 1073 O LEU A 68 1.068 3.119 -0.030 1.00 0.00 O ATOM 1074 CB LEU A 68 -0.373 1.527 -2.508 1.00 0.00 C ATOM 1075 CG LEU A 68 -1.013 0.217 -2.968 1.00 0.00 C ATOM 1076 CD1 LEU A 68 -0.628 -0.089 -4.407 1.00 0.00 C ATOM 1077 CD2 LEU A 68 -0.607 -0.930 -2.050 1.00 0.00 C ATOM 0 H LEU A 68 -2.598 2.607 -1.855 1.00 0.00 H new ATOM 0 HA LEU A 68 -0.506 1.182 -0.383 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -0.652 2.315 -3.207 1.00 0.00 H new ATOM 0 HB3 LEU A 68 0.711 1.423 -2.562 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.096 0.329 -2.918 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -1.093 -1.025 -4.717 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -0.970 0.718 -5.055 1.00 0.00 H new ATOM 0 HD13 LEU A 68 0.456 -0.180 -4.482 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.073 -1.854 -2.394 1.00 0.00 H new ATOM 0 HD22 LEU A 68 0.477 -1.042 -2.066 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -0.935 -0.715 -1.033 1.00 0.00 H new ATOM 1089 N ILE A 69 -0.432 4.376 -1.148 1.00 0.00 N ATOM 1090 CA ILE A 69 0.295 5.630 -0.965 1.00 0.00 C ATOM 1091 C ILE A 69 0.163 6.158 0.464 1.00 0.00 C ATOM 1092 O ILE A 69 1.126 6.670 1.040 1.00 0.00 O ATOM 1093 CB ILE A 69 -0.206 6.714 -1.955 1.00 0.00 C ATOM 1094 CG1 ILE A 69 0.017 6.267 -3.404 1.00 0.00 C ATOM 1095 CG2 ILE A 69 0.489 8.044 -1.697 1.00 0.00 C ATOM 1096 CD1 ILE A 69 1.473 6.041 -3.763 1.00 0.00 C ATOM 0 H ILE A 69 -1.323 4.475 -1.634 1.00 0.00 H new ATOM 0 HA ILE A 69 1.345 5.415 -1.163 1.00 0.00 H new ATOM 0 HB ILE A 69 -1.276 6.849 -1.796 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -0.537 5.344 -3.578 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -0.399 7.020 -4.074 1.00 0.00 H new ATOM 0 HG21 ILE A 69 0.122 8.789 -2.403 1.00 0.00 H new ATOM 0 HG22 ILE A 69 0.278 8.373 -0.680 1.00 0.00 H new ATOM 0 HG23 ILE A 69 1.565 7.923 -1.824 1.00 0.00 H new ATOM 0 HD11 ILE A 69 1.547 5.727 -4.804 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.030 6.967 -3.623 1.00 0.00 H new ATOM 0 HD13 ILE A 69 1.890 5.266 -3.120 1.00 0.00 H new