USER MOD reduce.3.24.130724 H: found=0, std=0, add=527, rem=0, adj=19 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 31 SER OG : rot 165:sc= 0.0267 USER MOD Set 1.2: A 60 TYR OH : rot 180:sc= 0.0258 USER MOD Set 2.1: A 15 ASN : amide:sc= -0.177 X(o=-0.4,f=-0.38) USER MOD Set 2.2: A 25 GLN : amide:sc= -0.475 K(o=-0.4,f=-0.95) USER MOD Set 2.3: A 43 CYS SG : rot 164:sc= 0.252 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 GLN : amide:sc= -0.0509 X(o=-0.051,f=-0.11) USER MOD Single : A 7 LYS NZ :NH3+ -139:sc= 1.54 (180deg=0.591) USER MOD Single : A 11 SER OG : rot -81:sc= 1.22 USER MOD Single : A 13 ASN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 16 SER OG : rot 73:sc= 1.14 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 163:sc= -0.0623 (180deg=-0.339) USER MOD Single : A 21 SER OG : rot 170:sc= 0.349 USER MOD Single : A 23 LYS NZ :NH3+ -167:sc= -0.0228 (180deg=-0.189) USER MOD Single : A 24 THR OG1 : rot -88:sc= 1.18 USER MOD Single : A 30 LYS NZ :NH3+ -135:sc= -0.532 (180deg=-2.55!) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 0.0658! X(o=0.066!,f=-0.028) USER MOD Single : A 41 THR OG1 : rot -40:sc= 1.21 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 MET CE :methyl -159:sc= -0.126 (180deg=-0.654) USER MOD Single : A 53 LYS NZ :NH3+ -157:sc= -0.103 (180deg=-0.543) USER MOD Single : A 55 GLN : amide:sc= -3.15! K(o=-3.1!,f=-0.042) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 ASN : amide:sc= 0.855 K(o=0.86,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 137:sc= -1.47 (180deg=-3.95!) USER MOD Single : A 66 SER OG : rot 180:sc= 0.0331 USER MOD ----------------------------------------------------------------- ATOM 70 N LYS A 5 10.245 8.303 6.327 1.00 0.00 N ATOM 71 CA LYS A 5 9.119 7.769 7.084 1.00 0.00 C ATOM 72 C LYS A 5 7.988 7.380 6.135 1.00 0.00 C ATOM 73 O LYS A 5 7.421 6.292 6.241 1.00 0.00 O ATOM 74 CB LYS A 5 8.630 8.810 8.102 1.00 0.00 C ATOM 75 CG LYS A 5 7.339 8.434 8.820 1.00 0.00 C ATOM 76 CD LYS A 5 7.498 7.184 9.671 1.00 0.00 C ATOM 77 CE LYS A 5 6.235 6.897 10.470 1.00 0.00 C ATOM 78 NZ LYS A 5 6.373 5.679 11.311 1.00 0.00 N ATOM 0 HA LYS A 5 9.443 6.879 7.623 1.00 0.00 H new ATOM 0 HB2 LYS A 5 9.412 8.968 8.845 1.00 0.00 H new ATOM 0 HB3 LYS A 5 8.482 9.760 7.589 1.00 0.00 H new ATOM 0 HG2 LYS A 5 7.022 9.264 9.452 1.00 0.00 H new ATOM 0 HG3 LYS A 5 6.550 8.273 8.085 1.00 0.00 H new ATOM 0 HD2 LYS A 5 7.728 6.332 9.031 1.00 0.00 H new ATOM 0 HD3 LYS A 5 8.341 7.309 10.351 1.00 0.00 H new ATOM 0 HE2 LYS A 5 6.006 7.752 11.106 1.00 0.00 H new ATOM 0 HE3 LYS A 5 5.394 6.773 9.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 5.491 5.520 11.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 6.566 4.858 10.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 7.159 5.807 11.981 1.00 0.00 H new ATOM 92 N GLN A 6 7.692 8.269 5.194 1.00 0.00 N ATOM 93 CA GLN A 6 6.615 8.049 4.232 1.00 0.00 C ATOM 94 C GLN A 6 6.901 6.812 3.383 1.00 0.00 C ATOM 95 O GLN A 6 6.030 5.973 3.167 1.00 0.00 O ATOM 96 CB GLN A 6 6.461 9.277 3.328 1.00 0.00 C ATOM 97 CG GLN A 6 5.255 9.207 2.405 1.00 0.00 C ATOM 98 CD GLN A 6 3.941 9.269 3.158 1.00 0.00 C ATOM 99 OE1 GLN A 6 3.388 8.249 3.557 1.00 0.00 O ATOM 100 NE2 GLN A 6 3.429 10.471 3.354 1.00 0.00 N ATOM 0 H GLN A 6 8.185 9.154 5.075 1.00 0.00 H new ATOM 0 HA GLN A 6 5.687 7.889 4.781 1.00 0.00 H new ATOM 0 HB2 GLN A 6 6.380 10.168 3.951 1.00 0.00 H new ATOM 0 HB3 GLN A 6 7.363 9.390 2.726 1.00 0.00 H new ATOM 0 HG2 GLN A 6 5.300 10.030 1.691 1.00 0.00 H new ATOM 0 HG3 GLN A 6 5.296 8.283 1.829 1.00 0.00 H new ATOM 0 HE21 GLN A 6 3.918 11.296 3.007 1.00 0.00 H new ATOM 0 HE22 GLN A 6 2.545 10.574 3.852 1.00 0.00 H new ATOM 109 N LYS A 7 8.143 6.701 2.929 1.00 0.00 N ATOM 110 CA LYS A 7 8.551 5.595 2.073 1.00 0.00 C ATOM 111 C LYS A 7 8.600 4.294 2.868 1.00 0.00 C ATOM 112 O LYS A 7 8.343 3.216 2.332 1.00 0.00 O ATOM 113 CB LYS A 7 9.909 5.905 1.443 1.00 0.00 C ATOM 114 CG LYS A 7 10.344 4.915 0.372 1.00 0.00 C ATOM 115 CD LYS A 7 11.063 5.611 -0.778 1.00 0.00 C ATOM 116 CE LYS A 7 12.205 6.498 -0.296 1.00 0.00 C ATOM 117 NZ LYS A 7 13.323 5.722 0.306 1.00 0.00 N ATOM 0 H LYS A 7 8.887 7.366 3.140 1.00 0.00 H new ATOM 0 HA LYS A 7 7.818 5.470 1.276 1.00 0.00 H new ATOM 0 HB2 LYS A 7 9.874 6.903 1.006 1.00 0.00 H new ATOM 0 HB3 LYS A 7 10.664 5.927 2.229 1.00 0.00 H new ATOM 0 HG2 LYS A 7 11.002 4.167 0.813 1.00 0.00 H new ATOM 0 HG3 LYS A 7 9.471 4.386 -0.011 1.00 0.00 H new ATOM 0 HD2 LYS A 7 11.454 4.861 -1.466 1.00 0.00 H new ATOM 0 HD3 LYS A 7 10.349 6.215 -1.338 1.00 0.00 H new ATOM 0 HE2 LYS A 7 12.584 7.082 -1.135 1.00 0.00 H new ATOM 0 HE3 LYS A 7 11.823 7.207 0.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 13.672 6.216 1.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 12.985 4.775 0.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 14.095 5.632 -0.385 1.00 0.00 H new ATOM 131 N ALA A 8 8.929 4.406 4.149 1.00 0.00 N ATOM 132 CA ALA A 8 8.916 3.255 5.046 1.00 0.00 C ATOM 133 C ALA A 8 7.499 2.727 5.205 1.00 0.00 C ATOM 134 O ALA A 8 7.273 1.519 5.188 1.00 0.00 O ATOM 135 CB ALA A 8 9.502 3.614 6.404 1.00 0.00 C ATOM 0 H ALA A 8 9.208 5.282 4.591 1.00 0.00 H new ATOM 0 HA ALA A 8 9.536 2.474 4.606 1.00 0.00 H new ATOM 0 HB1 ALA A 8 9.480 2.738 7.053 1.00 0.00 H new ATOM 0 HB2 ALA A 8 10.532 3.947 6.279 1.00 0.00 H new ATOM 0 HB3 ALA A 8 8.914 4.414 6.854 1.00 0.00 H new ATOM 141 N ILE A 9 6.547 3.639 5.354 1.00 0.00 N ATOM 142 CA ILE A 9 5.141 3.268 5.442 1.00 0.00 C ATOM 143 C ILE A 9 4.681 2.602 4.147 1.00 0.00 C ATOM 144 O ILE A 9 4.123 1.503 4.171 1.00 0.00 O ATOM 145 CB ILE A 9 4.246 4.499 5.724 1.00 0.00 C ATOM 146 CG1 ILE A 9 4.590 5.104 7.089 1.00 0.00 C ATOM 147 CG2 ILE A 9 2.772 4.126 5.657 1.00 0.00 C ATOM 148 CD1 ILE A 9 3.835 6.377 7.402 1.00 0.00 C ATOM 0 H ILE A 9 6.723 4.642 5.416 1.00 0.00 H new ATOM 0 HA ILE A 9 5.043 2.567 6.271 1.00 0.00 H new ATOM 0 HB ILE A 9 4.438 5.247 4.954 1.00 0.00 H new ATOM 0 HG12 ILE A 9 4.380 4.368 7.865 1.00 0.00 H new ATOM 0 HG13 ILE A 9 5.660 5.309 7.126 1.00 0.00 H new ATOM 0 HG21 ILE A 9 2.164 5.008 5.859 1.00 0.00 H new ATOM 0 HG22 ILE A 9 2.538 3.744 4.663 1.00 0.00 H new ATOM 0 HG23 ILE A 9 2.557 3.359 6.401 1.00 0.00 H new ATOM 0 HD11 ILE A 9 4.132 6.744 8.384 1.00 0.00 H new ATOM 0 HD12 ILE A 9 4.064 7.130 6.648 1.00 0.00 H new ATOM 0 HD13 ILE A 9 2.764 6.175 7.399 1.00 0.00 H new ATOM 160 N PHE A 10 4.944 3.267 3.027 1.00 0.00 N ATOM 161 CA PHE A 10 4.555 2.762 1.714 1.00 0.00 C ATOM 162 C PHE A 10 5.089 1.351 1.481 1.00 0.00 C ATOM 163 O PHE A 10 4.341 0.453 1.085 1.00 0.00 O ATOM 164 CB PHE A 10 5.063 3.705 0.616 1.00 0.00 C ATOM 165 CG PHE A 10 4.783 3.224 -0.783 1.00 0.00 C ATOM 166 CD1 PHE A 10 3.513 3.333 -1.327 1.00 0.00 C ATOM 167 CD2 PHE A 10 5.791 2.667 -1.555 1.00 0.00 C ATOM 168 CE1 PHE A 10 3.254 2.895 -2.612 1.00 0.00 C ATOM 169 CE2 PHE A 10 5.537 2.227 -2.839 1.00 0.00 C ATOM 170 CZ PHE A 10 4.267 2.341 -3.369 1.00 0.00 C ATOM 0 H PHE A 10 5.429 4.164 3.002 1.00 0.00 H new ATOM 0 HA PHE A 10 3.466 2.720 1.678 1.00 0.00 H new ATOM 0 HB2 PHE A 10 4.604 4.684 0.751 1.00 0.00 H new ATOM 0 HB3 PHE A 10 6.138 3.838 0.735 1.00 0.00 H new ATOM 0 HD1 PHE A 10 2.716 3.765 -0.740 1.00 0.00 H new ATOM 0 HD2 PHE A 10 6.787 2.576 -1.147 1.00 0.00 H new ATOM 0 HE1 PHE A 10 2.260 2.986 -3.024 1.00 0.00 H new ATOM 0 HE2 PHE A 10 6.331 1.794 -3.429 1.00 0.00 H new ATOM 0 HZ PHE A 10 4.067 1.998 -4.373 1.00 0.00 H new ATOM 180 N SER A 11 6.378 1.154 1.743 1.00 0.00 N ATOM 181 CA SER A 11 7.009 -0.140 1.522 1.00 0.00 C ATOM 182 C SER A 11 6.450 -1.199 2.468 1.00 0.00 C ATOM 183 O SER A 11 6.171 -2.320 2.052 1.00 0.00 O ATOM 184 CB SER A 11 8.532 -0.033 1.671 1.00 0.00 C ATOM 185 OG SER A 11 8.893 0.609 2.884 1.00 0.00 O ATOM 0 H SER A 11 7.003 1.873 2.108 1.00 0.00 H new ATOM 0 HA SER A 11 6.782 -0.450 0.502 1.00 0.00 H new ATOM 0 HB2 SER A 11 8.972 -1.030 1.641 1.00 0.00 H new ATOM 0 HB3 SER A 11 8.943 0.523 0.828 1.00 0.00 H new ATOM 0 HG SER A 11 8.828 1.580 2.772 1.00 0.00 H new ATOM 191 N GLU A 12 6.269 -0.838 3.736 1.00 0.00 N ATOM 192 CA GLU A 12 5.730 -1.767 4.724 1.00 0.00 C ATOM 193 C GLU A 12 4.307 -2.175 4.353 1.00 0.00 C ATOM 194 O GLU A 12 3.959 -3.360 4.388 1.00 0.00 O ATOM 195 CB GLU A 12 5.751 -1.141 6.121 1.00 0.00 C ATOM 196 CG GLU A 12 5.277 -2.081 7.216 1.00 0.00 C ATOM 197 CD GLU A 12 5.272 -1.433 8.582 1.00 0.00 C ATOM 198 OE1 GLU A 12 4.338 -0.661 8.872 1.00 0.00 O ATOM 199 OE2 GLU A 12 6.194 -1.697 9.379 1.00 0.00 O ATOM 0 H GLU A 12 6.487 0.089 4.102 1.00 0.00 H new ATOM 0 HA GLU A 12 6.359 -2.657 4.733 1.00 0.00 H new ATOM 0 HB2 GLU A 12 6.766 -0.814 6.348 1.00 0.00 H new ATOM 0 HB3 GLU A 12 5.122 -0.251 6.121 1.00 0.00 H new ATOM 0 HG2 GLU A 12 4.271 -2.429 6.980 1.00 0.00 H new ATOM 0 HG3 GLU A 12 5.921 -2.960 7.238 1.00 0.00 H new ATOM 206 N ASN A 13 3.495 -1.188 3.984 1.00 0.00 N ATOM 207 CA ASN A 13 2.123 -1.433 3.547 1.00 0.00 C ATOM 208 C ASN A 13 2.100 -2.354 2.338 1.00 0.00 C ATOM 209 O ASN A 13 1.465 -3.409 2.367 1.00 0.00 O ATOM 210 CB ASN A 13 1.419 -0.117 3.206 1.00 0.00 C ATOM 211 CG ASN A 13 0.888 0.607 4.427 1.00 0.00 C ATOM 212 OD1 ASN A 13 1.409 0.462 5.535 1.00 0.00 O ATOM 213 ND2 ASN A 13 -0.155 1.394 4.226 1.00 0.00 N ATOM 0 H ASN A 13 3.766 -0.205 3.979 1.00 0.00 H new ATOM 0 HA ASN A 13 1.592 -1.915 4.368 1.00 0.00 H new ATOM 0 HB2 ASN A 13 2.116 0.535 2.679 1.00 0.00 H new ATOM 0 HB3 ASN A 13 0.594 -0.320 2.524 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -0.561 1.912 5.005 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -0.554 1.484 3.291 1.00 0.00 H new ATOM 220 N LEU A 14 2.818 -1.966 1.290 1.00 0.00 N ATOM 221 CA LEU A 14 2.875 -2.745 0.056 1.00 0.00 C ATOM 222 C LEU A 14 3.398 -4.155 0.329 1.00 0.00 C ATOM 223 O LEU A 14 2.841 -5.139 -0.158 1.00 0.00 O ATOM 224 CB LEU A 14 3.765 -2.041 -0.975 1.00 0.00 C ATOM 225 CG LEU A 14 3.863 -2.731 -2.338 1.00 0.00 C ATOM 226 CD1 LEU A 14 2.500 -2.779 -3.015 1.00 0.00 C ATOM 227 CD2 LEU A 14 4.874 -2.016 -3.223 1.00 0.00 C ATOM 0 H LEU A 14 3.373 -1.110 1.270 1.00 0.00 H new ATOM 0 HA LEU A 14 1.865 -2.825 -0.345 1.00 0.00 H new ATOM 0 HB2 LEU A 14 3.388 -1.029 -1.125 1.00 0.00 H new ATOM 0 HB3 LEU A 14 4.769 -1.949 -0.561 1.00 0.00 H new ATOM 0 HG LEU A 14 4.203 -3.755 -2.182 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.591 -3.273 -3.982 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.802 -3.334 -2.388 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.130 -1.764 -3.160 1.00 0.00 H new ATOM 0 HD21 LEU A 14 4.932 -2.519 -4.188 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.562 -0.982 -3.370 1.00 0.00 H new ATOM 0 HD23 LEU A 14 5.853 -2.034 -2.745 1.00 0.00 H new ATOM 239 N ASN A 15 4.457 -4.238 1.132 1.00 0.00 N ATOM 240 CA ASN A 15 5.086 -5.515 1.478 1.00 0.00 C ATOM 241 C ASN A 15 4.075 -6.470 2.101 1.00 0.00 C ATOM 242 O ASN A 15 4.132 -7.682 1.878 1.00 0.00 O ATOM 243 CB ASN A 15 6.241 -5.288 2.455 1.00 0.00 C ATOM 244 CG ASN A 15 7.047 -6.546 2.725 1.00 0.00 C ATOM 245 OD1 ASN A 15 6.724 -7.328 3.621 1.00 0.00 O ATOM 246 ND2 ASN A 15 8.112 -6.736 1.964 1.00 0.00 N ATOM 0 H ASN A 15 4.903 -3.427 1.560 1.00 0.00 H new ATOM 0 HA ASN A 15 5.468 -5.960 0.560 1.00 0.00 H new ATOM 0 HB2 ASN A 15 6.902 -4.519 2.055 1.00 0.00 H new ATOM 0 HB3 ASN A 15 5.844 -4.909 3.397 1.00 0.00 H new ATOM 0 HD21 ASN A 15 8.702 -7.555 2.108 1.00 0.00 H new ATOM 0 HD22 ASN A 15 8.343 -6.063 1.233 1.00 0.00 H new ATOM 253 N SER A 16 3.142 -5.908 2.867 1.00 0.00 N ATOM 254 CA SER A 16 2.127 -6.694 3.559 1.00 0.00 C ATOM 255 C SER A 16 1.291 -7.494 2.563 1.00 0.00 C ATOM 256 O SER A 16 1.016 -8.673 2.778 1.00 0.00 O ATOM 257 CB SER A 16 1.219 -5.777 4.387 1.00 0.00 C ATOM 258 OG SER A 16 1.981 -4.942 5.247 1.00 0.00 O ATOM 0 H SER A 16 3.070 -4.903 3.024 1.00 0.00 H new ATOM 0 HA SER A 16 2.632 -7.392 4.227 1.00 0.00 H new ATOM 0 HB2 SER A 16 0.614 -5.162 3.721 1.00 0.00 H new ATOM 0 HB3 SER A 16 0.530 -6.380 4.978 1.00 0.00 H new ATOM 0 HG SER A 16 2.426 -4.247 4.718 1.00 0.00 H new ATOM 264 N TYR A 17 0.913 -6.848 1.463 1.00 0.00 N ATOM 265 CA TYR A 17 0.097 -7.493 0.441 1.00 0.00 C ATOM 266 C TYR A 17 0.928 -8.490 -0.360 1.00 0.00 C ATOM 267 O TYR A 17 0.443 -9.562 -0.734 1.00 0.00 O ATOM 268 CB TYR A 17 -0.507 -6.450 -0.506 1.00 0.00 C ATOM 269 CG TYR A 17 -1.325 -5.379 0.183 1.00 0.00 C ATOM 270 CD1 TYR A 17 -2.632 -5.625 0.590 1.00 0.00 C ATOM 271 CD2 TYR A 17 -0.793 -4.120 0.419 1.00 0.00 C ATOM 272 CE1 TYR A 17 -3.382 -4.644 1.213 1.00 0.00 C ATOM 273 CE2 TYR A 17 -1.534 -3.135 1.041 1.00 0.00 C ATOM 274 CZ TYR A 17 -2.827 -3.399 1.437 1.00 0.00 C ATOM 275 OH TYR A 17 -3.566 -2.415 2.053 1.00 0.00 O ATOM 0 H TYR A 17 1.159 -5.880 1.258 1.00 0.00 H new ATOM 0 HA TYR A 17 -0.710 -8.026 0.943 1.00 0.00 H new ATOM 0 HB2 TYR A 17 0.299 -5.972 -1.063 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -1.138 -6.960 -1.234 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -3.068 -6.598 0.417 1.00 0.00 H new ATOM 0 HD2 TYR A 17 0.220 -3.906 0.110 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -4.396 -4.850 1.523 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -1.102 -2.161 1.217 1.00 0.00 H new ATOM 0 HH TYR A 17 -3.025 -1.602 2.134 1.00 0.00 H new ATOM 285 N ILE A 18 2.182 -8.132 -0.615 1.00 0.00 N ATOM 286 CA ILE A 18 3.085 -8.971 -1.398 1.00 0.00 C ATOM 287 C ILE A 18 3.365 -10.290 -0.686 1.00 0.00 C ATOM 288 O ILE A 18 3.187 -11.366 -1.250 1.00 0.00 O ATOM 289 CB ILE A 18 4.427 -8.251 -1.661 1.00 0.00 C ATOM 290 CG1 ILE A 18 4.197 -6.912 -2.360 1.00 0.00 C ATOM 291 CG2 ILE A 18 5.345 -9.127 -2.497 1.00 0.00 C ATOM 292 CD1 ILE A 18 5.432 -6.034 -2.415 1.00 0.00 C ATOM 0 H ILE A 18 2.599 -7.260 -0.289 1.00 0.00 H new ATOM 0 HA ILE A 18 2.590 -9.171 -2.348 1.00 0.00 H new ATOM 0 HB ILE A 18 4.903 -8.060 -0.699 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.848 -7.098 -3.376 1.00 0.00 H new ATOM 0 HG13 ILE A 18 3.402 -6.374 -1.843 1.00 0.00 H new ATOM 0 HG21 ILE A 18 6.285 -8.605 -2.673 1.00 0.00 H new ATOM 0 HG22 ILE A 18 5.541 -10.059 -1.967 1.00 0.00 H new ATOM 0 HG23 ILE A 18 4.868 -9.347 -3.452 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.193 -5.101 -2.925 1.00 0.00 H new ATOM 0 HD12 ILE A 18 5.770 -5.817 -1.402 1.00 0.00 H new ATOM 0 HD13 ILE A 18 6.223 -6.552 -2.958 1.00 0.00 H new ATOM 304 N ALA A 19 3.771 -10.196 0.569 1.00 0.00 N ATOM 305 CA ALA A 19 4.169 -11.369 1.330 1.00 0.00 C ATOM 306 C ALA A 19 2.964 -12.174 1.800 1.00 0.00 C ATOM 307 O ALA A 19 3.111 -13.266 2.349 1.00 0.00 O ATOM 308 CB ALA A 19 5.021 -10.954 2.515 1.00 0.00 C ATOM 0 H ALA A 19 3.834 -9.318 1.084 1.00 0.00 H new ATOM 0 HA ALA A 19 4.754 -12.011 0.672 1.00 0.00 H new ATOM 0 HB1 ALA A 19 5.315 -11.839 3.080 1.00 0.00 H new ATOM 0 HB2 ALA A 19 5.913 -10.438 2.159 1.00 0.00 H new ATOM 0 HB3 ALA A 19 4.448 -10.286 3.159 1.00 0.00 H new ATOM 314 N LYS A 20 1.772 -11.635 1.588 1.00 0.00 N ATOM 315 CA LYS A 20 0.549 -12.312 1.991 1.00 0.00 C ATOM 316 C LYS A 20 0.019 -13.163 0.847 1.00 0.00 C ATOM 317 O LYS A 20 -0.810 -14.048 1.044 1.00 0.00 O ATOM 318 CB LYS A 20 -0.506 -11.288 2.396 1.00 0.00 C ATOM 319 CG LYS A 20 -1.429 -11.752 3.510 1.00 0.00 C ATOM 320 CD LYS A 20 -2.443 -10.681 3.869 1.00 0.00 C ATOM 321 CE LYS A 20 -3.268 -11.075 5.081 1.00 0.00 C ATOM 322 NZ LYS A 20 -2.435 -11.222 6.307 1.00 0.00 N ATOM 0 H LYS A 20 1.626 -10.731 1.139 1.00 0.00 H new ATOM 0 HA LYS A 20 0.771 -12.956 2.842 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -0.005 -10.373 2.712 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -1.107 -11.037 1.522 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -1.949 -12.659 3.200 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -0.840 -12.007 4.391 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -1.926 -9.743 4.070 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -3.104 -10.506 3.020 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -4.037 -10.322 5.255 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -3.782 -12.015 4.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -3.048 -11.204 7.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -1.922 -12.126 6.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -1.753 -10.438 6.359 1.00 0.00 H new ATOM 336 N SER A 21 0.505 -12.880 -0.348 1.00 0.00 N ATOM 337 CA SER A 21 0.045 -13.568 -1.543 1.00 0.00 C ATOM 338 C SER A 21 0.891 -14.805 -1.823 1.00 0.00 C ATOM 339 O SER A 21 2.041 -14.897 -1.394 1.00 0.00 O ATOM 340 CB SER A 21 0.092 -12.617 -2.741 1.00 0.00 C ATOM 341 OG SER A 21 -0.437 -13.227 -3.907 1.00 0.00 O ATOM 0 H SER A 21 1.222 -12.175 -0.518 1.00 0.00 H new ATOM 0 HA SER A 21 -0.983 -13.891 -1.378 1.00 0.00 H new ATOM 0 HB2 SER A 21 -0.473 -11.714 -2.513 1.00 0.00 H new ATOM 0 HB3 SER A 21 1.122 -12.311 -2.924 1.00 0.00 H new ATOM 0 HG SER A 21 -0.544 -12.552 -4.610 1.00 0.00 H new ATOM 347 N GLU A 22 0.297 -15.759 -2.533 1.00 0.00 N ATOM 348 CA GLU A 22 1.016 -16.934 -3.003 1.00 0.00 C ATOM 349 C GLU A 22 1.788 -16.589 -4.271 1.00 0.00 C ATOM 350 O GLU A 22 2.643 -17.348 -4.728 1.00 0.00 O ATOM 351 CB GLU A 22 0.038 -18.078 -3.276 1.00 0.00 C ATOM 352 CG GLU A 22 -0.668 -18.590 -2.031 1.00 0.00 C ATOM 353 CD GLU A 22 -1.889 -19.418 -2.359 1.00 0.00 C ATOM 354 OE1 GLU A 22 -1.729 -20.598 -2.736 1.00 0.00 O ATOM 355 OE2 GLU A 22 -3.015 -18.883 -2.252 1.00 0.00 O ATOM 0 H GLU A 22 -0.688 -15.739 -2.796 1.00 0.00 H new ATOM 0 HA GLU A 22 1.718 -17.254 -2.233 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -0.710 -17.741 -3.994 1.00 0.00 H new ATOM 0 HB3 GLU A 22 0.578 -18.902 -3.741 1.00 0.00 H new ATOM 0 HG2 GLU A 22 0.027 -19.190 -1.444 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -0.962 -17.744 -1.410 1.00 0.00 H new ATOM 362 N LYS A 23 1.458 -15.437 -4.840 1.00 0.00 N ATOM 363 CA LYS A 23 2.154 -14.916 -5.989 1.00 0.00 C ATOM 364 C LYS A 23 3.303 -14.042 -5.514 1.00 0.00 C ATOM 365 O LYS A 23 3.093 -13.053 -4.813 1.00 0.00 O ATOM 366 CB LYS A 23 1.195 -14.112 -6.870 1.00 0.00 C ATOM 367 CG LYS A 23 0.292 -14.960 -7.764 1.00 0.00 C ATOM 368 CD LYS A 23 -0.652 -15.844 -6.960 1.00 0.00 C ATOM 369 CE LYS A 23 -1.570 -16.653 -7.857 1.00 0.00 C ATOM 370 NZ LYS A 23 -2.484 -15.788 -8.643 1.00 0.00 N ATOM 0 H LYS A 23 0.697 -14.843 -4.510 1.00 0.00 H new ATOM 0 HA LYS A 23 2.548 -15.739 -6.585 1.00 0.00 H new ATOM 0 HB2 LYS A 23 0.570 -13.490 -6.230 1.00 0.00 H new ATOM 0 HB3 LYS A 23 1.778 -13.439 -7.499 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -0.291 -14.306 -8.413 1.00 0.00 H new ATOM 0 HG3 LYS A 23 0.908 -15.584 -8.411 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -0.071 -16.519 -6.332 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -1.250 -15.224 -6.293 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -0.971 -17.259 -8.537 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -2.156 -17.342 -7.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -3.233 -16.371 -9.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -2.913 -15.077 -8.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -1.948 -15.309 -9.395 1.00 0.00 H new ATOM 384 N THR A 24 4.509 -14.410 -5.898 1.00 0.00 N ATOM 385 CA THR A 24 5.699 -13.774 -5.361 1.00 0.00 C ATOM 386 C THR A 24 6.001 -12.460 -6.063 1.00 0.00 C ATOM 387 O THR A 24 5.302 -12.063 -7.000 1.00 0.00 O ATOM 388 CB THR A 24 6.920 -14.703 -5.479 1.00 0.00 C ATOM 389 OG1 THR A 24 7.191 -14.989 -6.856 1.00 0.00 O ATOM 390 CG2 THR A 24 6.680 -16.004 -4.726 1.00 0.00 C ATOM 0 H THR A 24 4.693 -15.146 -6.580 1.00 0.00 H new ATOM 0 HA THR A 24 5.499 -13.569 -4.309 1.00 0.00 H new ATOM 0 HB THR A 24 7.779 -14.195 -5.039 1.00 0.00 H new ATOM 0 HG1 THR A 24 6.676 -15.775 -7.134 1.00 0.00 H new ATOM 0 HG21 THR A 24 7.555 -16.647 -4.822 1.00 0.00 H new ATOM 0 HG22 THR A 24 6.503 -15.787 -3.673 1.00 0.00 H new ATOM 0 HG23 THR A 24 5.810 -16.511 -5.144 1.00 0.00 H new ATOM 398 N GLN A 25 7.056 -11.796 -5.599 1.00 0.00 N ATOM 399 CA GLN A 25 7.549 -10.571 -6.216 1.00 0.00 C ATOM 400 C GLN A 25 7.780 -10.779 -7.705 1.00 0.00 C ATOM 401 O GLN A 25 7.586 -9.873 -8.514 1.00 0.00 O ATOM 402 CB GLN A 25 8.856 -10.147 -5.548 1.00 0.00 C ATOM 403 CG GLN A 25 8.689 -9.708 -4.102 1.00 0.00 C ATOM 404 CD GLN A 25 10.003 -9.384 -3.419 1.00 0.00 C ATOM 405 OE1 GLN A 25 10.059 -8.528 -2.538 1.00 0.00 O ATOM 406 NE2 GLN A 25 11.068 -10.076 -3.795 1.00 0.00 N ATOM 0 H GLN A 25 7.593 -12.093 -4.784 1.00 0.00 H new ATOM 0 HA GLN A 25 6.801 -9.789 -6.084 1.00 0.00 H new ATOM 0 HB2 GLN A 25 9.560 -10.978 -5.587 1.00 0.00 H new ATOM 0 HB3 GLN A 25 9.297 -9.329 -6.118 1.00 0.00 H new ATOM 0 HG2 GLN A 25 8.044 -8.830 -4.068 1.00 0.00 H new ATOM 0 HG3 GLN A 25 8.183 -10.497 -3.546 1.00 0.00 H new ATOM 0 HE21 GLN A 25 10.986 -10.779 -4.529 1.00 0.00 H new ATOM 0 HE22 GLN A 25 11.970 -9.906 -3.350 1.00 0.00 H new ATOM 415 N LEU A 26 8.177 -11.993 -8.048 1.00 0.00 N ATOM 416 CA LEU A 26 8.442 -12.354 -9.430 1.00 0.00 C ATOM 417 C LEU A 26 7.141 -12.418 -10.227 1.00 0.00 C ATOM 418 O LEU A 26 7.061 -11.896 -11.337 1.00 0.00 O ATOM 419 CB LEU A 26 9.170 -13.699 -9.489 1.00 0.00 C ATOM 420 CG LEU A 26 10.475 -13.696 -10.290 1.00 0.00 C ATOM 421 CD1 LEU A 26 11.179 -15.035 -10.157 1.00 0.00 C ATOM 422 CD2 LEU A 26 10.215 -13.376 -11.756 1.00 0.00 C ATOM 0 H LEU A 26 8.324 -12.751 -7.381 1.00 0.00 H new ATOM 0 HA LEU A 26 9.078 -11.589 -9.875 1.00 0.00 H new ATOM 0 HB2 LEU A 26 9.387 -14.022 -8.471 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.498 -14.440 -9.922 1.00 0.00 H new ATOM 0 HG LEU A 26 11.121 -12.918 -9.883 1.00 0.00 H new ATOM 0 HD11 LEU A 26 12.105 -15.018 -10.732 1.00 0.00 H new ATOM 0 HD12 LEU A 26 11.406 -15.224 -9.108 1.00 0.00 H new ATOM 0 HD13 LEU A 26 10.531 -15.826 -10.536 1.00 0.00 H new ATOM 0 HD21 LEU A 26 11.158 -13.380 -12.302 1.00 0.00 H new ATOM 0 HD22 LEU A 26 9.547 -14.126 -12.179 1.00 0.00 H new ATOM 0 HD23 LEU A 26 9.753 -12.392 -11.837 1.00 0.00 H new ATOM 434 N GLU A 27 6.118 -13.036 -9.640 1.00 0.00 N ATOM 435 CA GLU A 27 4.818 -13.174 -10.286 1.00 0.00 C ATOM 436 C GLU A 27 4.196 -11.815 -10.579 1.00 0.00 C ATOM 437 O GLU A 27 3.758 -11.550 -11.701 1.00 0.00 O ATOM 438 CB GLU A 27 3.862 -13.982 -9.403 1.00 0.00 C ATOM 439 CG GLU A 27 3.891 -15.480 -9.654 1.00 0.00 C ATOM 440 CD GLU A 27 5.158 -16.136 -9.165 1.00 0.00 C ATOM 441 OE1 GLU A 27 5.286 -16.341 -7.940 1.00 0.00 O ATOM 442 OE2 GLU A 27 6.029 -16.466 -9.996 1.00 0.00 O ATOM 0 H GLU A 27 6.168 -13.452 -8.710 1.00 0.00 H new ATOM 0 HA GLU A 27 4.979 -13.698 -11.228 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.108 -13.796 -8.357 1.00 0.00 H new ATOM 0 HB3 GLU A 27 2.846 -13.619 -9.561 1.00 0.00 H new ATOM 0 HG2 GLU A 27 3.036 -15.942 -9.161 1.00 0.00 H new ATOM 0 HG3 GLU A 27 3.781 -15.666 -10.722 1.00 0.00 H new ATOM 449 N ILE A 28 4.168 -10.960 -9.566 1.00 0.00 N ATOM 450 CA ILE A 28 3.520 -9.660 -9.678 1.00 0.00 C ATOM 451 C ILE A 28 4.238 -8.771 -10.694 1.00 0.00 C ATOM 452 O ILE A 28 3.597 -8.116 -11.517 1.00 0.00 O ATOM 453 CB ILE A 28 3.455 -8.947 -8.310 1.00 0.00 C ATOM 454 CG1 ILE A 28 2.808 -9.863 -7.270 1.00 0.00 C ATOM 455 CG2 ILE A 28 2.668 -7.648 -8.427 1.00 0.00 C ATOM 456 CD1 ILE A 28 2.799 -9.292 -5.869 1.00 0.00 C ATOM 0 H ILE A 28 4.588 -11.144 -8.655 1.00 0.00 H new ATOM 0 HA ILE A 28 2.502 -9.836 -10.026 1.00 0.00 H new ATOM 0 HB ILE A 28 4.470 -8.712 -7.990 1.00 0.00 H new ATOM 0 HG12 ILE A 28 1.782 -10.072 -7.573 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.338 -10.816 -7.260 1.00 0.00 H new ATOM 0 HG21 ILE A 28 2.631 -7.156 -7.455 1.00 0.00 H new ATOM 0 HG22 ILE A 28 3.155 -6.991 -9.147 1.00 0.00 H new ATOM 0 HG23 ILE A 28 1.654 -7.866 -8.763 1.00 0.00 H new ATOM 0 HD11 ILE A 28 2.324 -10.000 -5.190 1.00 0.00 H new ATOM 0 HD12 ILE A 28 3.823 -9.109 -5.544 1.00 0.00 H new ATOM 0 HD13 ILE A 28 2.243 -8.354 -5.862 1.00 0.00 H new ATOM 468 N ALA A 29 5.568 -8.783 -10.653 1.00 0.00 N ATOM 469 CA ALA A 29 6.373 -7.950 -11.545 1.00 0.00 C ATOM 470 C ALA A 29 6.076 -8.252 -13.012 1.00 0.00 C ATOM 471 O ALA A 29 6.020 -7.341 -13.842 1.00 0.00 O ATOM 472 CB ALA A 29 7.855 -8.145 -11.259 1.00 0.00 C ATOM 0 H ALA A 29 6.112 -9.360 -10.012 1.00 0.00 H new ATOM 0 HA ALA A 29 6.107 -6.910 -11.356 1.00 0.00 H new ATOM 0 HB1 ALA A 29 8.441 -7.518 -11.931 1.00 0.00 H new ATOM 0 HB2 ALA A 29 8.066 -7.866 -10.227 1.00 0.00 H new ATOM 0 HB3 ALA A 29 8.121 -9.191 -11.414 1.00 0.00 H new ATOM 478 N LYS A 30 5.866 -9.532 -13.317 1.00 0.00 N ATOM 479 CA LYS A 30 5.587 -9.971 -14.683 1.00 0.00 C ATOM 480 C LYS A 30 4.283 -9.370 -15.203 1.00 0.00 C ATOM 481 O LYS A 30 4.180 -9.012 -16.378 1.00 0.00 O ATOM 482 CB LYS A 30 5.514 -11.499 -14.743 1.00 0.00 C ATOM 483 CG LYS A 30 6.827 -12.178 -14.397 1.00 0.00 C ATOM 484 CD LYS A 30 6.684 -13.689 -14.249 1.00 0.00 C ATOM 485 CE LYS A 30 6.549 -14.405 -15.587 1.00 0.00 C ATOM 486 NZ LYS A 30 5.195 -14.263 -16.188 1.00 0.00 N ATOM 0 H LYS A 30 5.884 -10.287 -12.631 1.00 0.00 H new ATOM 0 HA LYS A 30 6.401 -9.623 -15.319 1.00 0.00 H new ATOM 0 HB2 LYS A 30 4.742 -11.846 -14.056 1.00 0.00 H new ATOM 0 HB3 LYS A 30 5.209 -11.802 -15.745 1.00 0.00 H new ATOM 0 HG2 LYS A 30 7.560 -11.960 -15.174 1.00 0.00 H new ATOM 0 HG3 LYS A 30 7.214 -11.760 -13.467 1.00 0.00 H new ATOM 0 HD2 LYS A 30 7.552 -14.081 -13.719 1.00 0.00 H new ATOM 0 HD3 LYS A 30 5.810 -13.908 -13.636 1.00 0.00 H new ATOM 0 HE2 LYS A 30 7.292 -14.011 -16.281 1.00 0.00 H new ATOM 0 HE3 LYS A 30 6.771 -15.463 -15.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 4.874 -15.187 -16.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 4.530 -13.918 -15.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 5.234 -13.585 -16.975 1.00 0.00 H new ATOM 500 N SER A 31 3.297 -9.256 -14.326 1.00 0.00 N ATOM 501 CA SER A 31 1.999 -8.711 -14.702 1.00 0.00 C ATOM 502 C SER A 31 2.042 -7.183 -14.775 1.00 0.00 C ATOM 503 O SER A 31 1.376 -6.574 -15.615 1.00 0.00 O ATOM 504 CB SER A 31 0.934 -9.169 -13.704 1.00 0.00 C ATOM 505 OG SER A 31 0.912 -10.584 -13.599 1.00 0.00 O ATOM 0 H SER A 31 3.370 -9.534 -13.347 1.00 0.00 H new ATOM 0 HA SER A 31 1.743 -9.085 -15.694 1.00 0.00 H new ATOM 0 HB2 SER A 31 1.134 -8.731 -12.726 1.00 0.00 H new ATOM 0 HB3 SER A 31 -0.045 -8.809 -14.020 1.00 0.00 H new ATOM 0 HG SER A 31 0.408 -10.845 -12.800 1.00 0.00 H new ATOM 511 N ILE A 32 2.834 -6.573 -13.897 1.00 0.00 N ATOM 512 CA ILE A 32 2.975 -5.119 -13.876 1.00 0.00 C ATOM 513 C ILE A 32 3.734 -4.634 -15.109 1.00 0.00 C ATOM 514 O ILE A 32 3.338 -3.665 -15.757 1.00 0.00 O ATOM 515 CB ILE A 32 3.699 -4.636 -12.596 1.00 0.00 C ATOM 516 CG1 ILE A 32 2.924 -5.065 -11.345 1.00 0.00 C ATOM 517 CG2 ILE A 32 3.881 -3.125 -12.615 1.00 0.00 C ATOM 518 CD1 ILE A 32 1.490 -4.569 -11.303 1.00 0.00 C ATOM 0 H ILE A 32 3.387 -7.061 -13.192 1.00 0.00 H new ATOM 0 HA ILE A 32 1.970 -4.696 -13.882 1.00 0.00 H new ATOM 0 HB ILE A 32 4.685 -5.099 -12.569 1.00 0.00 H new ATOM 0 HG12 ILE A 32 2.922 -6.153 -11.287 1.00 0.00 H new ATOM 0 HG13 ILE A 32 3.449 -4.700 -10.462 1.00 0.00 H new ATOM 0 HG21 ILE A 32 4.392 -2.809 -11.706 1.00 0.00 H new ATOM 0 HG22 ILE A 32 4.476 -2.841 -13.483 1.00 0.00 H new ATOM 0 HG23 ILE A 32 2.906 -2.642 -12.670 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.012 -4.916 -10.387 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.481 -3.479 -11.327 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.946 -4.955 -12.165 1.00 0.00 H new ATOM 530 N GLY A 33 4.814 -5.325 -15.436 1.00 0.00 N ATOM 531 CA GLY A 33 5.592 -4.962 -16.601 1.00 0.00 C ATOM 532 C GLY A 33 6.996 -4.528 -16.246 1.00 0.00 C ATOM 533 O GLY A 33 7.634 -3.783 -16.988 1.00 0.00 O ATOM 0 H GLY A 33 5.166 -6.129 -14.917 1.00 0.00 H new ATOM 0 HA2 GLY A 33 5.639 -5.812 -17.282 1.00 0.00 H new ATOM 0 HA3 GLY A 33 5.089 -4.155 -17.133 1.00 0.00 H new ATOM 537 N VAL A 34 7.480 -4.996 -15.105 1.00 0.00 N ATOM 538 CA VAL A 34 8.814 -4.655 -14.645 1.00 0.00 C ATOM 539 C VAL A 34 9.586 -5.915 -14.282 1.00 0.00 C ATOM 540 O VAL A 34 9.048 -7.019 -14.345 1.00 0.00 O ATOM 541 CB VAL A 34 8.780 -3.709 -13.422 1.00 0.00 C ATOM 542 CG1 VAL A 34 8.224 -2.347 -13.804 1.00 0.00 C ATOM 543 CG2 VAL A 34 7.965 -4.320 -12.286 1.00 0.00 C ATOM 0 H VAL A 34 6.965 -5.616 -14.480 1.00 0.00 H new ATOM 0 HA VAL A 34 9.312 -4.136 -15.464 1.00 0.00 H new ATOM 0 HB VAL A 34 9.804 -3.574 -13.075 1.00 0.00 H new ATOM 0 HG11 VAL A 34 8.211 -1.700 -12.927 1.00 0.00 H new ATOM 0 HG12 VAL A 34 8.853 -1.900 -14.574 1.00 0.00 H new ATOM 0 HG13 VAL A 34 7.209 -2.462 -14.185 1.00 0.00 H new ATOM 0 HG21 VAL A 34 7.955 -3.637 -11.437 1.00 0.00 H new ATOM 0 HG22 VAL A 34 6.943 -4.494 -12.624 1.00 0.00 H new ATOM 0 HG23 VAL A 34 8.413 -5.267 -11.985 1.00 0.00 H new ATOM 553 N SER A 35 10.843 -5.752 -13.915 1.00 0.00 N ATOM 554 CA SER A 35 11.649 -6.871 -13.472 1.00 0.00 C ATOM 555 C SER A 35 11.475 -7.066 -11.967 1.00 0.00 C ATOM 556 O SER A 35 11.142 -6.116 -11.254 1.00 0.00 O ATOM 557 CB SER A 35 13.118 -6.615 -13.808 1.00 0.00 C ATOM 558 OG SER A 35 13.292 -6.370 -15.194 1.00 0.00 O ATOM 0 H SER A 35 11.327 -4.854 -13.915 1.00 0.00 H new ATOM 0 HA SER A 35 11.325 -7.777 -13.984 1.00 0.00 H new ATOM 0 HB2 SER A 35 13.481 -5.761 -13.237 1.00 0.00 H new ATOM 0 HB3 SER A 35 13.717 -7.475 -13.510 1.00 0.00 H new ATOM 0 HG SER A 35 14.240 -6.208 -15.381 1.00 0.00 H new ATOM 564 N PRO A 36 11.691 -8.295 -11.459 1.00 0.00 N ATOM 565 CA PRO A 36 11.605 -8.581 -10.022 1.00 0.00 C ATOM 566 C PRO A 36 12.542 -7.690 -9.213 1.00 0.00 C ATOM 567 O PRO A 36 12.287 -7.397 -8.048 1.00 0.00 O ATOM 568 CB PRO A 36 12.027 -10.054 -9.912 1.00 0.00 C ATOM 569 CG PRO A 36 12.670 -10.384 -11.218 1.00 0.00 C ATOM 570 CD PRO A 36 12.016 -9.498 -12.237 1.00 0.00 C ATOM 0 HA PRO A 36 10.608 -8.392 -9.625 1.00 0.00 H new ATOM 0 HB2 PRO A 36 12.721 -10.203 -9.085 1.00 0.00 H new ATOM 0 HB3 PRO A 36 11.166 -10.696 -9.725 1.00 0.00 H new ATOM 0 HG2 PRO A 36 13.745 -10.207 -11.179 1.00 0.00 H new ATOM 0 HG3 PRO A 36 12.529 -11.436 -11.468 1.00 0.00 H new ATOM 0 HD2 PRO A 36 12.685 -9.274 -13.068 1.00 0.00 H new ATOM 0 HD3 PRO A 36 11.124 -9.959 -12.661 1.00 0.00 H new ATOM 578 N GLN A 37 13.613 -7.243 -9.859 1.00 0.00 N ATOM 579 CA GLN A 37 14.574 -6.344 -9.238 1.00 0.00 C ATOM 580 C GLN A 37 13.940 -4.982 -8.971 1.00 0.00 C ATOM 581 O GLN A 37 14.153 -4.381 -7.919 1.00 0.00 O ATOM 582 CB GLN A 37 15.791 -6.175 -10.143 1.00 0.00 C ATOM 583 CG GLN A 37 16.436 -7.489 -10.544 1.00 0.00 C ATOM 584 CD GLN A 37 17.594 -7.293 -11.497 1.00 0.00 C ATOM 585 OE1 GLN A 37 17.409 -7.257 -12.714 1.00 0.00 O ATOM 586 NE2 GLN A 37 18.797 -7.179 -10.958 1.00 0.00 N ATOM 0 H GLN A 37 13.837 -7.493 -10.822 1.00 0.00 H new ATOM 0 HA GLN A 37 14.887 -6.777 -8.288 1.00 0.00 H new ATOM 0 HB2 GLN A 37 15.493 -5.637 -11.043 1.00 0.00 H new ATOM 0 HB3 GLN A 37 16.530 -5.558 -9.633 1.00 0.00 H new ATOM 0 HG2 GLN A 37 16.787 -8.006 -9.651 1.00 0.00 H new ATOM 0 HG3 GLN A 37 15.689 -8.130 -11.011 1.00 0.00 H new ATOM 0 HE21 GLN A 37 18.907 -7.214 -9.945 1.00 0.00 H new ATOM 0 HE22 GLN A 37 19.614 -7.056 -11.556 1.00 0.00 H new ATOM 595 N THR A 38 13.145 -4.512 -9.925 1.00 0.00 N ATOM 596 CA THR A 38 12.475 -3.226 -9.801 1.00 0.00 C ATOM 597 C THR A 38 11.451 -3.295 -8.680 1.00 0.00 C ATOM 598 O THR A 38 11.322 -2.381 -7.870 1.00 0.00 O ATOM 599 CB THR A 38 11.771 -2.844 -11.121 1.00 0.00 C ATOM 600 OG1 THR A 38 12.651 -3.086 -12.232 1.00 0.00 O ATOM 601 CG2 THR A 38 11.343 -1.381 -11.107 1.00 0.00 C ATOM 0 H THR A 38 12.949 -5.006 -10.796 1.00 0.00 H new ATOM 0 HA THR A 38 13.222 -2.465 -9.575 1.00 0.00 H new ATOM 0 HB THR A 38 10.878 -3.461 -11.225 1.00 0.00 H new ATOM 0 HG1 THR A 38 12.198 -2.843 -13.067 1.00 0.00 H new ATOM 0 HG21 THR A 38 10.850 -1.137 -12.048 1.00 0.00 H new ATOM 0 HG22 THR A 38 10.653 -1.212 -10.281 1.00 0.00 H new ATOM 0 HG23 THR A 38 12.220 -0.746 -10.982 1.00 0.00 H new ATOM 609 N PHE A 39 10.755 -4.417 -8.628 1.00 0.00 N ATOM 610 CA PHE A 39 9.762 -4.665 -7.599 1.00 0.00 C ATOM 611 C PHE A 39 10.441 -4.787 -6.233 1.00 0.00 C ATOM 612 O PHE A 39 9.898 -4.369 -5.210 1.00 0.00 O ATOM 613 CB PHE A 39 8.999 -5.944 -7.942 1.00 0.00 C ATOM 614 CG PHE A 39 7.649 -6.042 -7.296 1.00 0.00 C ATOM 615 CD1 PHE A 39 6.575 -5.320 -7.794 1.00 0.00 C ATOM 616 CD2 PHE A 39 7.450 -6.855 -6.195 1.00 0.00 C ATOM 617 CE1 PHE A 39 5.331 -5.407 -7.205 1.00 0.00 C ATOM 618 CE2 PHE A 39 6.207 -6.948 -5.601 1.00 0.00 C ATOM 619 CZ PHE A 39 5.146 -6.223 -6.107 1.00 0.00 C ATOM 0 H PHE A 39 10.862 -5.180 -9.296 1.00 0.00 H new ATOM 0 HA PHE A 39 9.060 -3.832 -7.553 1.00 0.00 H new ATOM 0 HB2 PHE A 39 8.878 -6.003 -9.024 1.00 0.00 H new ATOM 0 HB3 PHE A 39 9.598 -6.804 -7.641 1.00 0.00 H new ATOM 0 HD1 PHE A 39 6.714 -4.682 -8.654 1.00 0.00 H new ATOM 0 HD2 PHE A 39 8.276 -7.424 -5.795 1.00 0.00 H new ATOM 0 HE1 PHE A 39 4.503 -4.838 -7.602 1.00 0.00 H new ATOM 0 HE2 PHE A 39 6.065 -7.587 -4.742 1.00 0.00 H new ATOM 0 HZ PHE A 39 4.173 -6.294 -5.644 1.00 0.00 H new ATOM 629 N ASN A 40 11.645 -5.346 -6.243 1.00 0.00 N ATOM 630 CA ASN A 40 12.420 -5.569 -5.027 1.00 0.00 C ATOM 631 C ASN A 40 12.806 -4.239 -4.376 1.00 0.00 C ATOM 632 O ASN A 40 12.876 -4.141 -3.152 1.00 0.00 O ATOM 633 CB ASN A 40 13.679 -6.383 -5.363 1.00 0.00 C ATOM 634 CG ASN A 40 14.269 -7.141 -4.182 1.00 0.00 C ATOM 635 OD1 ASN A 40 14.867 -8.205 -4.360 1.00 0.00 O ATOM 636 ND2 ASN A 40 14.118 -6.615 -2.978 1.00 0.00 N ATOM 0 H ASN A 40 12.112 -5.658 -7.094 1.00 0.00 H new ATOM 0 HA ASN A 40 11.808 -6.126 -4.318 1.00 0.00 H new ATOM 0 HB2 ASN A 40 13.437 -7.095 -6.152 1.00 0.00 H new ATOM 0 HB3 ASN A 40 14.437 -5.709 -5.763 1.00 0.00 H new ATOM 0 HD21 ASN A 40 14.502 -7.091 -2.162 1.00 0.00 H new ATOM 0 HD22 ASN A 40 13.618 -5.733 -2.866 1.00 0.00 H new ATOM 643 N THR A 41 13.042 -3.213 -5.190 1.00 0.00 N ATOM 644 CA THR A 41 13.445 -1.916 -4.658 1.00 0.00 C ATOM 645 C THR A 41 12.307 -1.270 -3.872 1.00 0.00 C ATOM 646 O THR A 41 12.535 -0.636 -2.842 1.00 0.00 O ATOM 647 CB THR A 41 13.917 -0.947 -5.764 1.00 0.00 C ATOM 648 OG1 THR A 41 12.832 -0.609 -6.631 1.00 0.00 O ATOM 649 CG2 THR A 41 15.048 -1.557 -6.577 1.00 0.00 C ATOM 0 H THR A 41 12.962 -3.253 -6.206 1.00 0.00 H new ATOM 0 HA THR A 41 14.287 -2.106 -3.992 1.00 0.00 H new ATOM 0 HB THR A 41 14.283 -0.042 -5.279 1.00 0.00 H new ATOM 0 HG1 THR A 41 12.285 -1.405 -6.797 1.00 0.00 H new ATOM 0 HG21 THR A 41 15.361 -0.854 -7.349 1.00 0.00 H new ATOM 0 HG22 THR A 41 15.891 -1.775 -5.921 1.00 0.00 H new ATOM 0 HG23 THR A 41 14.704 -2.479 -7.045 1.00 0.00 H new ATOM 657 N TRP A 42 11.078 -1.445 -4.356 1.00 0.00 N ATOM 658 CA TRP A 42 9.902 -0.934 -3.660 1.00 0.00 C ATOM 659 C TRP A 42 9.703 -1.695 -2.355 1.00 0.00 C ATOM 660 O TRP A 42 9.305 -1.125 -1.340 1.00 0.00 O ATOM 661 CB TRP A 42 8.657 -1.070 -4.538 1.00 0.00 C ATOM 662 CG TRP A 42 8.760 -0.362 -5.857 1.00 0.00 C ATOM 663 CD1 TRP A 42 9.463 0.780 -6.129 1.00 0.00 C ATOM 664 CD2 TRP A 42 8.125 -0.742 -7.082 1.00 0.00 C ATOM 665 NE1 TRP A 42 9.308 1.125 -7.448 1.00 0.00 N ATOM 666 CE2 TRP A 42 8.490 0.208 -8.054 1.00 0.00 C ATOM 667 CE3 TRP A 42 7.285 -1.797 -7.452 1.00 0.00 C ATOM 668 CZ2 TRP A 42 8.037 0.139 -9.368 1.00 0.00 C ATOM 669 CZ3 TRP A 42 6.840 -1.865 -8.759 1.00 0.00 C ATOM 670 CH2 TRP A 42 7.219 -0.905 -9.703 1.00 0.00 C ATOM 0 H TRP A 42 10.873 -1.936 -5.226 1.00 0.00 H new ATOM 0 HA TRP A 42 10.058 0.122 -3.441 1.00 0.00 H new ATOM 0 HB2 TRP A 42 8.466 -2.128 -4.719 1.00 0.00 H new ATOM 0 HB3 TRP A 42 7.797 -0.680 -3.994 1.00 0.00 H new ATOM 0 HD1 TRP A 42 10.053 1.329 -5.411 1.00 0.00 H new ATOM 0 HE1 TRP A 42 9.733 1.933 -7.903 1.00 0.00 H new ATOM 0 HE3 TRP A 42 6.990 -2.544 -6.730 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 8.321 0.883 -10.097 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 6.188 -2.673 -9.056 1.00 0.00 H new ATOM 0 HH2 TRP A 42 6.858 -0.990 -10.717 1.00 0.00 H new ATOM 681 N CYS A 43 10.001 -2.987 -2.403 1.00 0.00 N ATOM 682 CA CYS A 43 9.922 -3.852 -1.232 1.00 0.00 C ATOM 683 C CYS A 43 10.916 -3.400 -0.165 1.00 0.00 C ATOM 684 O CYS A 43 10.631 -3.456 1.030 1.00 0.00 O ATOM 685 CB CYS A 43 10.201 -5.299 -1.652 1.00 0.00 C ATOM 686 SG CYS A 43 10.099 -6.521 -0.325 1.00 0.00 S ATOM 0 H CYS A 43 10.304 -3.464 -3.252 1.00 0.00 H new ATOM 0 HA CYS A 43 8.921 -3.790 -0.805 1.00 0.00 H new ATOM 0 HB2 CYS A 43 9.494 -5.576 -2.434 1.00 0.00 H new ATOM 0 HB3 CYS A 43 11.197 -5.347 -2.092 1.00 0.00 H new ATOM 0 HG CYS A 43 10.007 -7.712 -0.838 1.00 0.00 H new ATOM 692 N LYS A 44 12.077 -2.940 -0.612 1.00 0.00 N ATOM 693 CA LYS A 44 13.102 -2.436 0.282 1.00 0.00 C ATOM 694 C LYS A 44 12.840 -0.983 0.659 1.00 0.00 C ATOM 695 O LYS A 44 13.547 -0.410 1.488 1.00 0.00 O ATOM 696 CB LYS A 44 14.469 -2.562 -0.381 1.00 0.00 C ATOM 697 CG LYS A 44 15.098 -3.932 -0.225 1.00 0.00 C ATOM 698 CD LYS A 44 15.295 -4.268 1.242 1.00 0.00 C ATOM 699 CE LYS A 44 16.115 -5.529 1.434 1.00 0.00 C ATOM 700 NZ LYS A 44 16.298 -5.848 2.871 1.00 0.00 N ATOM 0 H LYS A 44 12.331 -2.907 -1.599 1.00 0.00 H new ATOM 0 HA LYS A 44 13.081 -3.031 1.195 1.00 0.00 H new ATOM 0 HB2 LYS A 44 14.370 -2.336 -1.443 1.00 0.00 H new ATOM 0 HB3 LYS A 44 15.139 -1.814 0.043 1.00 0.00 H new ATOM 0 HG2 LYS A 44 14.464 -4.684 -0.694 1.00 0.00 H new ATOM 0 HG3 LYS A 44 16.058 -3.958 -0.741 1.00 0.00 H new ATOM 0 HD2 LYS A 44 15.790 -3.435 1.741 1.00 0.00 H new ATOM 0 HD3 LYS A 44 14.323 -4.392 1.719 1.00 0.00 H new ATOM 0 HE2 LYS A 44 15.622 -6.364 0.935 1.00 0.00 H new ATOM 0 HE3 LYS A 44 17.089 -5.406 0.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 16.863 -6.716 2.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 16.790 -5.062 3.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 15.369 -5.990 3.316 1.00 0.00 H new ATOM 714 N GLY A 45 11.814 -0.397 0.052 1.00 0.00 N ATOM 715 CA GLY A 45 11.502 0.998 0.298 1.00 0.00 C ATOM 716 C GLY A 45 12.600 1.932 -0.170 1.00 0.00 C ATOM 717 O GLY A 45 12.828 2.986 0.431 1.00 0.00 O ATOM 0 H GLY A 45 11.192 -0.865 -0.607 1.00 0.00 H new ATOM 0 HA2 GLY A 45 10.572 1.253 -0.210 1.00 0.00 H new ATOM 0 HA3 GLY A 45 11.334 1.146 1.365 1.00 0.00 H new ATOM 721 N ILE A 46 13.281 1.550 -1.242 1.00 0.00 N ATOM 722 CA ILE A 46 14.361 2.358 -1.786 1.00 0.00 C ATOM 723 C ILE A 46 13.802 3.586 -2.494 1.00 0.00 C ATOM 724 O ILE A 46 14.184 4.719 -2.191 1.00 0.00 O ATOM 725 CB ILE A 46 15.239 1.549 -2.771 1.00 0.00 C ATOM 726 CG1 ILE A 46 15.855 0.340 -2.060 1.00 0.00 C ATOM 727 CG2 ILE A 46 16.331 2.431 -3.364 1.00 0.00 C ATOM 728 CD1 ILE A 46 16.692 -0.542 -2.962 1.00 0.00 C ATOM 0 H ILE A 46 13.103 0.684 -1.752 1.00 0.00 H new ATOM 0 HA ILE A 46 14.985 2.671 -0.949 1.00 0.00 H new ATOM 0 HB ILE A 46 14.608 1.192 -3.585 1.00 0.00 H new ATOM 0 HG12 ILE A 46 16.475 0.693 -1.236 1.00 0.00 H new ATOM 0 HG13 ILE A 46 15.055 -0.259 -1.623 1.00 0.00 H new ATOM 0 HG21 ILE A 46 16.938 1.845 -4.054 1.00 0.00 H new ATOM 0 HG22 ILE A 46 15.875 3.264 -3.900 1.00 0.00 H new ATOM 0 HG23 ILE A 46 16.962 2.816 -2.563 1.00 0.00 H new ATOM 0 HD11 ILE A 46 17.093 -1.376 -2.385 1.00 0.00 H new ATOM 0 HD12 ILE A 46 16.072 -0.926 -3.772 1.00 0.00 H new ATOM 0 HD13 ILE A 46 17.514 0.040 -3.379 1.00 0.00 H new ATOM 740 N ALA A 47 12.868 3.358 -3.407 1.00 0.00 N ATOM 741 CA ALA A 47 12.266 4.436 -4.172 1.00 0.00 C ATOM 742 C ALA A 47 10.756 4.258 -4.250 1.00 0.00 C ATOM 743 O ALA A 47 10.226 3.235 -3.824 1.00 0.00 O ATOM 744 CB ALA A 47 12.869 4.496 -5.568 1.00 0.00 C ATOM 0 H ALA A 47 12.511 2.430 -3.635 1.00 0.00 H new ATOM 0 HA ALA A 47 12.474 5.378 -3.664 1.00 0.00 H new ATOM 0 HB1 ALA A 47 12.408 5.309 -6.129 1.00 0.00 H new ATOM 0 HB2 ALA A 47 13.942 4.670 -5.493 1.00 0.00 H new ATOM 0 HB3 ALA A 47 12.689 3.552 -6.083 1.00 0.00 H new ATOM 750 N ILE A 48 10.076 5.261 -4.781 1.00 0.00 N ATOM 751 CA ILE A 48 8.631 5.202 -4.961 1.00 0.00 C ATOM 752 C ILE A 48 8.293 5.346 -6.440 1.00 0.00 C ATOM 753 O ILE A 48 8.798 6.246 -7.109 1.00 0.00 O ATOM 754 CB ILE A 48 7.903 6.302 -4.148 1.00 0.00 C ATOM 755 CG1 ILE A 48 8.080 6.059 -2.649 1.00 0.00 C ATOM 756 CG2 ILE A 48 6.422 6.357 -4.502 1.00 0.00 C ATOM 757 CD1 ILE A 48 7.551 7.178 -1.777 1.00 0.00 C ATOM 0 H ILE A 48 10.503 6.132 -5.097 1.00 0.00 H new ATOM 0 HA ILE A 48 8.288 4.235 -4.592 1.00 0.00 H new ATOM 0 HB ILE A 48 8.349 7.263 -4.406 1.00 0.00 H new ATOM 0 HG12 ILE A 48 7.574 5.132 -2.379 1.00 0.00 H new ATOM 0 HG13 ILE A 48 9.140 5.917 -2.437 1.00 0.00 H new ATOM 0 HG21 ILE A 48 5.937 7.138 -3.916 1.00 0.00 H new ATOM 0 HG22 ILE A 48 6.310 6.577 -5.564 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.959 5.396 -4.280 1.00 0.00 H new ATOM 0 HD11 ILE A 48 7.714 6.930 -0.728 1.00 0.00 H new ATOM 0 HD12 ILE A 48 8.074 8.104 -2.016 1.00 0.00 H new ATOM 0 HD13 ILE A 48 6.484 7.307 -1.958 1.00 0.00 H new ATOM 769 N PRO A 49 7.467 4.439 -6.973 1.00 0.00 N ATOM 770 CA PRO A 49 7.047 4.482 -8.373 1.00 0.00 C ATOM 771 C PRO A 49 6.103 5.646 -8.647 1.00 0.00 C ATOM 772 O PRO A 49 5.431 6.145 -7.740 1.00 0.00 O ATOM 773 CB PRO A 49 6.328 3.144 -8.564 1.00 0.00 C ATOM 774 CG PRO A 49 5.825 2.798 -7.205 1.00 0.00 C ATOM 775 CD PRO A 49 6.875 3.299 -6.252 1.00 0.00 C ATOM 0 HA PRO A 49 7.885 4.628 -9.055 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.511 3.230 -9.280 1.00 0.00 H new ATOM 0 HB3 PRO A 49 7.005 2.379 -8.944 1.00 0.00 H new ATOM 0 HG2 PRO A 49 4.861 3.269 -7.011 1.00 0.00 H new ATOM 0 HG3 PRO A 49 5.681 1.723 -7.101 1.00 0.00 H new ATOM 0 HD2 PRO A 49 6.441 3.606 -5.300 1.00 0.00 H new ATOM 0 HD3 PRO A 49 7.618 2.532 -6.032 1.00 0.00 H new ATOM 783 N ARG A 50 6.058 6.083 -9.893 1.00 0.00 N ATOM 784 CA ARG A 50 5.181 7.172 -10.274 1.00 0.00 C ATOM 785 C ARG A 50 3.790 6.647 -10.596 1.00 0.00 C ATOM 786 O ARG A 50 3.590 5.431 -10.703 1.00 0.00 O ATOM 787 CB ARG A 50 5.757 7.947 -11.457 1.00 0.00 C ATOM 788 CG ARG A 50 7.014 8.727 -11.101 1.00 0.00 C ATOM 789 CD ARG A 50 7.492 9.577 -12.263 1.00 0.00 C ATOM 790 NE ARG A 50 8.588 10.462 -11.869 1.00 0.00 N ATOM 791 CZ ARG A 50 8.862 11.618 -12.470 1.00 0.00 C ATOM 792 NH1 ARG A 50 8.150 12.010 -13.520 1.00 0.00 N ATOM 793 NH2 ARG A 50 9.862 12.372 -12.029 1.00 0.00 N ATOM 0 H ARG A 50 6.617 5.701 -10.655 1.00 0.00 H new ATOM 0 HA ARG A 50 5.102 7.858 -9.431 1.00 0.00 H new ATOM 0 HB2 ARG A 50 5.984 7.251 -12.264 1.00 0.00 H new ATOM 0 HB3 ARG A 50 5.002 8.637 -11.834 1.00 0.00 H new ATOM 0 HG2 ARG A 50 6.815 9.365 -10.240 1.00 0.00 H new ATOM 0 HG3 ARG A 50 7.802 8.034 -10.808 1.00 0.00 H new ATOM 0 HD2 ARG A 50 7.821 8.930 -13.076 1.00 0.00 H new ATOM 0 HD3 ARG A 50 6.662 10.172 -12.644 1.00 0.00 H new ATOM 0 HE ARG A 50 9.178 10.176 -11.087 1.00 0.00 H new ATOM 0 HH11 ARG A 50 7.391 11.425 -13.868 1.00 0.00 H new ATOM 0 HH12 ARG A 50 8.362 12.896 -13.978 1.00 0.00 H new ATOM 0 HH21 ARG A 50 10.419 12.065 -11.231 1.00 0.00 H new ATOM 0 HH22 ARG A 50 10.074 13.258 -12.488 1.00 0.00 H new ATOM 807 N MET A 51 2.847 7.571 -10.771 1.00 0.00 N ATOM 808 CA MET A 51 1.429 7.239 -10.930 1.00 0.00 C ATOM 809 C MET A 51 1.192 6.165 -11.989 1.00 0.00 C ATOM 810 O MET A 51 0.312 5.326 -11.823 1.00 0.00 O ATOM 811 CB MET A 51 0.618 8.497 -11.269 1.00 0.00 C ATOM 812 CG MET A 51 1.096 9.226 -12.518 1.00 0.00 C ATOM 813 SD MET A 51 0.106 10.683 -12.903 1.00 0.00 S ATOM 814 CE MET A 51 -1.497 9.936 -13.199 1.00 0.00 C ATOM 0 H MET A 51 3.043 8.571 -10.807 1.00 0.00 H new ATOM 0 HA MET A 51 1.093 6.833 -9.976 1.00 0.00 H new ATOM 0 HB2 MET A 51 -0.427 8.218 -11.402 1.00 0.00 H new ATOM 0 HB3 MET A 51 0.660 9.183 -10.423 1.00 0.00 H new ATOM 0 HG2 MET A 51 2.135 9.525 -12.383 1.00 0.00 H new ATOM 0 HG3 MET A 51 1.069 8.541 -13.365 1.00 0.00 H new ATOM 0 HE1 MET A 51 -2.110 10.613 -13.794 1.00 0.00 H new ATOM 0 HE2 MET A 51 -1.367 8.997 -13.737 1.00 0.00 H new ATOM 0 HE3 MET A 51 -1.990 9.743 -12.246 1.00 0.00 H new ATOM 824 N GLY A 52 1.987 6.181 -13.054 1.00 0.00 N ATOM 825 CA GLY A 52 1.835 5.205 -14.122 1.00 0.00 C ATOM 826 C GLY A 52 1.824 3.768 -13.622 1.00 0.00 C ATOM 827 O GLY A 52 0.965 2.976 -14.010 1.00 0.00 O ATOM 0 H GLY A 52 2.738 6.856 -13.198 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.907 5.404 -14.658 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.649 5.328 -14.837 1.00 0.00 H new ATOM 831 N LYS A 53 2.762 3.438 -12.742 1.00 0.00 N ATOM 832 CA LYS A 53 2.855 2.085 -12.206 1.00 0.00 C ATOM 833 C LYS A 53 2.073 1.937 -10.905 1.00 0.00 C ATOM 834 O LYS A 53 1.686 0.828 -10.537 1.00 0.00 O ATOM 835 CB LYS A 53 4.315 1.679 -12.000 1.00 0.00 C ATOM 836 CG LYS A 53 4.949 1.079 -13.246 1.00 0.00 C ATOM 837 CD LYS A 53 6.394 0.681 -13.007 1.00 0.00 C ATOM 838 CE LYS A 53 7.330 1.873 -13.077 1.00 0.00 C ATOM 839 NZ LYS A 53 7.339 2.482 -14.434 1.00 0.00 N ATOM 0 H LYS A 53 3.466 4.085 -12.386 1.00 0.00 H new ATOM 0 HA LYS A 53 2.407 1.416 -12.940 1.00 0.00 H new ATOM 0 HB2 LYS A 53 4.889 2.553 -11.692 1.00 0.00 H new ATOM 0 HB3 LYS A 53 4.374 0.957 -11.186 1.00 0.00 H new ATOM 0 HG2 LYS A 53 4.378 0.205 -13.559 1.00 0.00 H new ATOM 0 HG3 LYS A 53 4.901 1.800 -14.062 1.00 0.00 H new ATOM 0 HD2 LYS A 53 6.483 0.207 -12.029 1.00 0.00 H new ATOM 0 HD3 LYS A 53 6.694 -0.060 -13.749 1.00 0.00 H new ATOM 0 HE2 LYS A 53 7.025 2.620 -12.344 1.00 0.00 H new ATOM 0 HE3 LYS A 53 8.340 1.560 -12.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 8.225 3.009 -14.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 7.266 1.733 -15.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 6.532 3.131 -14.529 1.00 0.00 H new ATOM 853 N VAL A 54 1.832 3.049 -10.217 1.00 0.00 N ATOM 854 CA VAL A 54 1.050 3.021 -8.984 1.00 0.00 C ATOM 855 C VAL A 54 -0.363 2.508 -9.251 1.00 0.00 C ATOM 856 O VAL A 54 -0.889 1.690 -8.496 1.00 0.00 O ATOM 857 CB VAL A 54 0.973 4.411 -8.307 1.00 0.00 C ATOM 858 CG1 VAL A 54 0.007 4.399 -7.126 1.00 0.00 C ATOM 859 CG2 VAL A 54 2.354 4.850 -7.847 1.00 0.00 C ATOM 0 H VAL A 54 2.164 3.974 -10.489 1.00 0.00 H new ATOM 0 HA VAL A 54 1.564 2.342 -8.304 1.00 0.00 H new ATOM 0 HB VAL A 54 0.599 5.122 -9.044 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -0.025 5.389 -6.672 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -0.990 4.127 -7.474 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.344 3.672 -6.387 1.00 0.00 H new ATOM 0 HG21 VAL A 54 2.285 5.829 -7.373 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.746 4.127 -7.132 1.00 0.00 H new ATOM 0 HG23 VAL A 54 3.022 4.909 -8.706 1.00 0.00 H new ATOM 869 N GLN A 55 -0.965 2.970 -10.345 1.00 0.00 N ATOM 870 CA GLN A 55 -2.315 2.549 -10.699 1.00 0.00 C ATOM 871 C GLN A 55 -2.320 1.073 -11.070 1.00 0.00 C ATOM 872 O GLN A 55 -3.296 0.369 -10.819 1.00 0.00 O ATOM 873 CB GLN A 55 -2.875 3.387 -11.861 1.00 0.00 C ATOM 874 CG GLN A 55 -2.587 4.884 -11.766 1.00 0.00 C ATOM 875 CD GLN A 55 -3.465 5.655 -10.785 1.00 0.00 C ATOM 876 OE1 GLN A 55 -3.715 6.842 -10.981 1.00 0.00 O ATOM 877 NE2 GLN A 55 -3.935 5.013 -9.728 1.00 0.00 N ATOM 0 H GLN A 55 -0.542 3.631 -10.996 1.00 0.00 H new ATOM 0 HA GLN A 55 -2.956 2.705 -9.831 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -2.460 3.010 -12.796 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -3.954 3.241 -11.909 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -1.544 5.019 -11.479 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -2.704 5.324 -12.756 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -3.712 4.027 -9.589 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -4.520 5.504 -9.052 1.00 0.00 H new ATOM 886 N ALA A 56 -1.220 0.609 -11.652 1.00 0.00 N ATOM 887 CA ALA A 56 -1.081 -0.796 -12.011 1.00 0.00 C ATOM 888 C ALA A 56 -0.990 -1.665 -10.760 1.00 0.00 C ATOM 889 O ALA A 56 -1.642 -2.708 -10.667 1.00 0.00 O ATOM 890 CB ALA A 56 0.140 -1.001 -12.891 1.00 0.00 C ATOM 0 H ALA A 56 -0.412 1.186 -11.885 1.00 0.00 H new ATOM 0 HA ALA A 56 -1.966 -1.096 -12.572 1.00 0.00 H new ATOM 0 HB1 ALA A 56 0.229 -2.056 -13.150 1.00 0.00 H new ATOM 0 HB2 ALA A 56 0.035 -0.411 -13.802 1.00 0.00 H new ATOM 0 HB3 ALA A 56 1.033 -0.683 -12.354 1.00 0.00 H new ATOM 896 N LEU A 57 -0.184 -1.227 -9.799 1.00 0.00 N ATOM 897 CA LEU A 57 -0.041 -1.928 -8.532 1.00 0.00 C ATOM 898 C LEU A 57 -1.374 -1.989 -7.797 1.00 0.00 C ATOM 899 O LEU A 57 -1.815 -3.059 -7.372 1.00 0.00 O ATOM 900 CB LEU A 57 1.004 -1.230 -7.656 1.00 0.00 C ATOM 901 CG LEU A 57 2.429 -1.220 -8.214 1.00 0.00 C ATOM 902 CD1 LEU A 57 3.344 -0.404 -7.315 1.00 0.00 C ATOM 903 CD2 LEU A 57 2.957 -2.638 -8.360 1.00 0.00 C ATOM 0 H LEU A 57 0.384 -0.383 -9.877 1.00 0.00 H new ATOM 0 HA LEU A 57 0.289 -2.946 -8.740 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.688 -0.199 -7.495 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.018 -1.715 -6.680 1.00 0.00 H new ATOM 0 HG LEU A 57 2.408 -0.758 -9.201 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.354 -0.406 -7.725 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.978 0.621 -7.258 1.00 0.00 H new ATOM 0 HD13 LEU A 57 3.357 -0.841 -6.316 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.971 -2.609 -8.758 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.963 -3.126 -7.385 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.315 -3.197 -9.041 1.00 0.00 H new ATOM 915 N ALA A 58 -2.024 -0.836 -7.668 1.00 0.00 N ATOM 916 CA ALA A 58 -3.305 -0.748 -6.981 1.00 0.00 C ATOM 917 C ALA A 58 -4.375 -1.569 -7.695 1.00 0.00 C ATOM 918 O ALA A 58 -5.310 -2.060 -7.071 1.00 0.00 O ATOM 919 CB ALA A 58 -3.742 0.703 -6.874 1.00 0.00 C ATOM 0 H ALA A 58 -1.681 0.053 -8.033 1.00 0.00 H new ATOM 0 HA ALA A 58 -3.179 -1.159 -5.979 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -4.701 0.757 -6.359 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -2.997 1.267 -6.314 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -3.843 1.127 -7.873 1.00 0.00 H new ATOM 925 N ASP A 59 -4.223 -1.718 -9.006 1.00 0.00 N ATOM 926 CA ASP A 59 -5.181 -2.471 -9.814 1.00 0.00 C ATOM 927 C ASP A 59 -5.026 -3.967 -9.587 1.00 0.00 C ATOM 928 O ASP A 59 -6.012 -4.701 -9.509 1.00 0.00 O ATOM 929 CB ASP A 59 -4.990 -2.153 -11.298 1.00 0.00 C ATOM 930 CG ASP A 59 -6.029 -2.818 -12.176 1.00 0.00 C ATOM 931 OD1 ASP A 59 -7.170 -2.313 -12.236 1.00 0.00 O ATOM 932 OD2 ASP A 59 -5.711 -3.844 -12.813 1.00 0.00 O ATOM 0 H ASP A 59 -3.444 -1.327 -9.535 1.00 0.00 H new ATOM 0 HA ASP A 59 -6.185 -2.174 -9.509 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -5.035 -1.074 -11.443 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -3.997 -2.475 -11.610 1.00 0.00 H new ATOM 937 N TYR A 60 -3.783 -4.411 -9.463 1.00 0.00 N ATOM 938 CA TYR A 60 -3.489 -5.829 -9.291 1.00 0.00 C ATOM 939 C TYR A 60 -3.894 -6.303 -7.897 1.00 0.00 C ATOM 940 O TYR A 60 -4.278 -7.456 -7.709 1.00 0.00 O ATOM 941 CB TYR A 60 -2.000 -6.092 -9.533 1.00 0.00 C ATOM 942 CG TYR A 60 -1.685 -7.526 -9.896 1.00 0.00 C ATOM 943 CD1 TYR A 60 -2.031 -8.029 -11.142 1.00 0.00 C ATOM 944 CD2 TYR A 60 -1.043 -8.377 -9.001 1.00 0.00 C ATOM 945 CE1 TYR A 60 -1.751 -9.335 -11.490 1.00 0.00 C ATOM 946 CE2 TYR A 60 -0.756 -9.686 -9.344 1.00 0.00 C ATOM 947 CZ TYR A 60 -1.113 -10.160 -10.591 1.00 0.00 C ATOM 948 OH TYR A 60 -0.828 -11.459 -10.943 1.00 0.00 O ATOM 0 H TYR A 60 -2.960 -3.809 -9.478 1.00 0.00 H new ATOM 0 HA TYR A 60 -4.069 -6.392 -10.022 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -1.651 -5.439 -10.333 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -1.442 -5.823 -8.636 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -2.529 -7.386 -11.853 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -0.765 -8.010 -8.024 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -2.031 -9.708 -12.464 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -0.255 -10.334 -8.640 1.00 0.00 H new ATOM 0 HH TYR A 60 -0.376 -11.908 -10.199 1.00 0.00 H new ATOM 958 N PHE A 61 -3.803 -5.409 -6.919 1.00 0.00 N ATOM 959 CA PHE A 61 -4.231 -5.722 -5.564 1.00 0.00 C ATOM 960 C PHE A 61 -5.683 -5.305 -5.345 1.00 0.00 C ATOM 961 O PHE A 61 -6.270 -5.590 -4.299 1.00 0.00 O ATOM 962 CB PHE A 61 -3.326 -5.033 -4.541 1.00 0.00 C ATOM 963 CG PHE A 61 -1.918 -5.561 -4.526 1.00 0.00 C ATOM 964 CD1 PHE A 61 -1.646 -6.831 -4.045 1.00 0.00 C ATOM 965 CD2 PHE A 61 -0.868 -4.787 -4.989 1.00 0.00 C ATOM 966 CE1 PHE A 61 -0.353 -7.318 -4.023 1.00 0.00 C ATOM 967 CE2 PHE A 61 0.427 -5.267 -4.972 1.00 0.00 C ATOM 968 CZ PHE A 61 0.685 -6.535 -4.489 1.00 0.00 C ATOM 0 H PHE A 61 -3.437 -4.464 -7.040 1.00 0.00 H new ATOM 0 HA PHE A 61 -4.156 -6.801 -5.427 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -3.301 -3.964 -4.753 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -3.759 -5.151 -3.548 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -2.455 -7.448 -3.683 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -1.064 -3.795 -5.368 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -0.154 -8.309 -3.642 1.00 0.00 H new ATOM 0 HE2 PHE A 61 1.237 -4.652 -5.336 1.00 0.00 H new ATOM 0 HZ PHE A 61 1.696 -6.914 -4.476 1.00 0.00 H new ATOM 978 N ASN A 62 -6.245 -4.629 -6.349 1.00 0.00 N ATOM 979 CA ASN A 62 -7.638 -4.176 -6.332 1.00 0.00 C ATOM 980 C ASN A 62 -7.918 -3.272 -5.136 1.00 0.00 C ATOM 981 O ASN A 62 -8.966 -3.374 -4.489 1.00 0.00 O ATOM 982 CB ASN A 62 -8.602 -5.366 -6.344 1.00 0.00 C ATOM 983 CG ASN A 62 -8.474 -6.208 -7.600 1.00 0.00 C ATOM 984 OD1 ASN A 62 -7.747 -7.202 -7.626 1.00 0.00 O ATOM 985 ND2 ASN A 62 -9.163 -5.812 -8.662 1.00 0.00 N ATOM 0 H ASN A 62 -5.744 -4.379 -7.202 1.00 0.00 H new ATOM 0 HA ASN A 62 -7.801 -3.592 -7.238 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -8.413 -5.991 -5.471 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -9.625 -5.001 -6.259 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -9.100 -6.336 -9.535 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -9.756 -4.984 -8.606 1.00 0.00 H new ATOM 992 N ILE A 63 -6.986 -2.369 -4.865 1.00 0.00 N ATOM 993 CA ILE A 63 -7.115 -1.432 -3.757 1.00 0.00 C ATOM 994 C ILE A 63 -7.021 0.006 -4.257 1.00 0.00 C ATOM 995 O ILE A 63 -6.827 0.244 -5.450 1.00 0.00 O ATOM 996 CB ILE A 63 -6.045 -1.670 -2.671 1.00 0.00 C ATOM 997 CG1 ILE A 63 -4.641 -1.672 -3.288 1.00 0.00 C ATOM 998 CG2 ILE A 63 -6.316 -2.970 -1.923 1.00 0.00 C ATOM 999 CD1 ILE A 63 -3.535 -1.876 -2.276 1.00 0.00 C ATOM 0 H ILE A 63 -6.125 -2.265 -5.402 1.00 0.00 H new ATOM 0 HA ILE A 63 -8.095 -1.601 -3.310 1.00 0.00 H new ATOM 0 HB ILE A 63 -6.097 -0.852 -1.952 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -4.585 -2.460 -4.039 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -4.479 -0.726 -3.805 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -5.550 -3.118 -1.162 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -7.295 -2.919 -1.447 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -6.297 -3.804 -2.624 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -2.571 -1.866 -2.784 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -3.565 -1.074 -1.538 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -3.672 -2.835 -1.776 1.00 0.00 H new ATOM 1011 N ASN A 64 -7.155 0.963 -3.348 1.00 0.00 N ATOM 1012 CA ASN A 64 -7.160 2.373 -3.720 1.00 0.00 C ATOM 1013 C ASN A 64 -5.789 2.990 -3.490 1.00 0.00 C ATOM 1014 O ASN A 64 -4.912 2.368 -2.887 1.00 0.00 O ATOM 1015 CB ASN A 64 -8.206 3.138 -2.903 1.00 0.00 C ATOM 1016 CG ASN A 64 -9.568 2.475 -2.927 1.00 0.00 C ATOM 1017 OD1 ASN A 64 -10.378 2.717 -3.820 1.00 0.00 O ATOM 1018 ND2 ASN A 64 -9.825 1.629 -1.942 1.00 0.00 N ATOM 0 H ASN A 64 -7.262 0.790 -2.349 1.00 0.00 H new ATOM 0 HA ASN A 64 -7.410 2.443 -4.779 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -7.865 3.221 -1.871 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -8.294 4.152 -3.292 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -10.724 1.149 -1.904 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -9.124 1.457 -1.221 1.00 0.00 H new ATOM 1025 N LYS A 65 -5.612 4.219 -3.968 1.00 0.00 N ATOM 1026 CA LYS A 65 -4.375 4.961 -3.748 1.00 0.00 C ATOM 1027 C LYS A 65 -4.098 5.108 -2.254 1.00 0.00 C ATOM 1028 O LYS A 65 -2.953 5.030 -1.811 1.00 0.00 O ATOM 1029 CB LYS A 65 -4.463 6.347 -4.408 1.00 0.00 C ATOM 1030 CG LYS A 65 -5.640 7.190 -3.921 1.00 0.00 C ATOM 1031 CD LYS A 65 -5.722 8.552 -4.607 1.00 0.00 C ATOM 1032 CE LYS A 65 -4.635 9.513 -4.143 1.00 0.00 C ATOM 1033 NZ LYS A 65 -3.292 9.164 -4.678 1.00 0.00 N ATOM 0 H LYS A 65 -6.312 4.723 -4.512 1.00 0.00 H new ATOM 0 HA LYS A 65 -3.554 4.406 -4.201 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -3.537 6.889 -4.217 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -4.541 6.220 -5.488 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -6.567 6.645 -4.096 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -5.554 7.336 -2.844 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -5.644 8.416 -5.686 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -6.699 8.994 -4.411 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -4.894 10.525 -4.455 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -4.598 9.514 -3.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -2.808 10.029 -4.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -2.730 8.704 -3.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -3.397 8.514 -5.483 1.00 0.00 H new ATOM 1047 N SER A 66 -5.163 5.297 -1.490 1.00 0.00 N ATOM 1048 CA SER A 66 -5.071 5.509 -0.058 1.00 0.00 C ATOM 1049 C SER A 66 -4.454 4.301 0.646 1.00 0.00 C ATOM 1050 O SER A 66 -3.570 4.449 1.487 1.00 0.00 O ATOM 1051 CB SER A 66 -6.470 5.777 0.488 1.00 0.00 C ATOM 1052 OG SER A 66 -7.230 6.532 -0.445 1.00 0.00 O ATOM 0 H SER A 66 -6.118 5.307 -1.849 1.00 0.00 H new ATOM 0 HA SER A 66 -4.423 6.364 0.132 1.00 0.00 H new ATOM 0 HB2 SER A 66 -6.973 4.833 0.697 1.00 0.00 H new ATOM 0 HB3 SER A 66 -6.401 6.317 1.432 1.00 0.00 H new ATOM 0 HG SER A 66 -8.126 6.695 -0.082 1.00 0.00 H new ATOM 1058 N ASP A 67 -4.896 3.106 0.255 1.00 0.00 N ATOM 1059 CA ASP A 67 -4.480 1.865 0.911 1.00 0.00 C ATOM 1060 C ASP A 67 -2.972 1.641 0.799 1.00 0.00 C ATOM 1061 O ASP A 67 -2.383 0.911 1.598 1.00 0.00 O ATOM 1062 CB ASP A 67 -5.230 0.663 0.320 1.00 0.00 C ATOM 1063 CG ASP A 67 -6.729 0.735 0.546 1.00 0.00 C ATOM 1064 OD1 ASP A 67 -7.186 0.460 1.678 1.00 0.00 O ATOM 1065 OD2 ASP A 67 -7.465 1.068 -0.409 1.00 0.00 O ATOM 0 H ASP A 67 -5.547 2.970 -0.518 1.00 0.00 H new ATOM 0 HA ASP A 67 -4.729 1.960 1.968 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -5.031 0.607 -0.750 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -4.844 -0.254 0.764 1.00 0.00 H new ATOM 1070 N LEU A 68 -2.357 2.249 -0.203 1.00 0.00 N ATOM 1071 CA LEU A 68 -0.925 2.096 -0.422 1.00 0.00 C ATOM 1072 C LEU A 68 -0.116 3.168 0.307 1.00 0.00 C ATOM 1073 O LEU A 68 1.012 2.919 0.729 1.00 0.00 O ATOM 1074 CB LEU A 68 -0.606 2.150 -1.919 1.00 0.00 C ATOM 1075 CG LEU A 68 -1.063 0.938 -2.733 1.00 0.00 C ATOM 1076 CD1 LEU A 68 -0.843 1.181 -4.218 1.00 0.00 C ATOM 1077 CD2 LEU A 68 -0.321 -0.312 -2.279 1.00 0.00 C ATOM 0 H LEU A 68 -2.826 2.853 -0.878 1.00 0.00 H new ATOM 0 HA LEU A 68 -0.642 1.124 -0.018 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -1.068 3.043 -2.339 1.00 0.00 H new ATOM 0 HB3 LEU A 68 0.472 2.262 -2.039 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.129 0.788 -2.565 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -1.173 0.309 -4.782 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -1.414 2.054 -4.532 1.00 0.00 H new ATOM 0 HD13 LEU A 68 0.217 1.354 -4.405 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -0.656 -1.167 -2.866 1.00 0.00 H new ATOM 0 HD22 LEU A 68 0.750 -0.171 -2.421 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -0.526 -0.494 -1.224 1.00 0.00 H new ATOM 1089 N ILE A 69 -0.691 4.353 0.461 1.00 0.00 N ATOM 1090 CA ILE A 69 0.061 5.503 0.950 1.00 0.00 C ATOM 1091 C ILE A 69 -0.049 5.687 2.464 1.00 0.00 C ATOM 1092 O ILE A 69 0.965 5.811 3.147 1.00 0.00 O ATOM 1093 CB ILE A 69 -0.399 6.793 0.242 1.00 0.00 C ATOM 1094 CG1 ILE A 69 -0.218 6.663 -1.274 1.00 0.00 C ATOM 1095 CG2 ILE A 69 0.367 8.001 0.768 1.00 0.00 C ATOM 1096 CD1 ILE A 69 1.223 6.476 -1.707 1.00 0.00 C ATOM 0 H ILE A 69 -1.672 4.544 0.256 1.00 0.00 H new ATOM 0 HA ILE A 69 1.107 5.304 0.719 1.00 0.00 H new ATOM 0 HB ILE A 69 -1.458 6.941 0.455 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -0.806 5.817 -1.629 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -0.619 7.555 -1.756 1.00 0.00 H new ATOM 0 HG21 ILE A 69 0.026 8.900 0.254 1.00 0.00 H new ATOM 0 HG22 ILE A 69 0.191 8.106 1.839 1.00 0.00 H new ATOM 0 HG23 ILE A 69 1.433 7.862 0.588 1.00 0.00 H new ATOM 0 HD11 ILE A 69 1.269 6.392 -2.793 1.00 0.00 H new ATOM 0 HD12 ILE A 69 1.814 7.333 -1.384 1.00 0.00 H new ATOM 0 HD13 ILE A 69 1.624 5.568 -1.256 1.00 0.00 H new