USER MOD reduce.3.24.130724 H: found=0, std=0, add=644, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 646 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 54 LYS NZ :NH3+ 152:sc= 0.872 (180deg=-0.324) USER MOD Set 1.2: A 88 TYR OH : rot 30:sc= 1.05 USER MOD Set 2.1: A 76 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 80 HIS : no HE2:sc= 1.01 K(o=1,f=-5.3!) USER MOD Set 3.1: A 37 ASN : amide:sc= 0.931 K(o=-2.8,f=-10!) USER MOD Set 3.2: A 74 SER OG : rot 163:sc= -3.69! USER MOD Single : A 7 LYS NZ :NH3+ -159:sc= -2.71! (180deg=-4.13!) USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 11 ASN : amide:sc= -0.592 K(o=-0.59,f=-1.6!) USER MOD Single : A 12 LYS NZ :NH3+ -167:sc= 1.25 (180deg=0.703) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -0.417 X(o=-0.42,f=0) USER MOD Single : A 21 ASN : amide:sc= -2.21! K(o=-2.2!,f=-1.2) USER MOD Single : A 27 THR OG1 : rot 170:sc= -0.258 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -1.03 K(o=-1,f=-0.0073) USER MOD Single : A 34 ASN : amide:sc= -0.235 K(o=-0.23,f=-3.9!) USER MOD Single : A 40 HIS : no HD1:sc= 0.564 K(o=0.56,f=-4.3!) USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.151 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 67 ASN : amide:sc= 0.847 K(o=0.85,f=0) USER MOD Single : A 68 ASN : amide:sc= -0.0103 X(o=-0.01,f=-0.14) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 CYS SG : rot 55:sc= -2.12! USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 MET CE :methyl -118:sc= -0.473 (180deg=-1.65) USER MOD Single : A 84 LYS NZ :NH3+ -166:sc= -0.0684 (180deg=-0.293) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -1.77! K(o=-1.8!,f=-0.18) USER MOD Single : A 92 TYR OH : rot -15:sc= -0.966 USER MOD ----------------------------------------------------------------- ATOM 64 N GLU A 5 16.743 1.264 -6.128 1.00 0.00 N ATOM 65 CA GLU A 5 16.315 0.024 -6.754 1.00 0.00 C ATOM 66 C GLU A 5 15.077 -0.511 -6.042 1.00 0.00 C ATOM 67 O GLU A 5 15.056 -0.613 -4.816 1.00 0.00 O ATOM 68 CB GLU A 5 17.459 -0.998 -6.698 1.00 0.00 C ATOM 69 CG GLU A 5 17.493 -1.975 -7.865 1.00 0.00 C ATOM 70 CD GLU A 5 16.386 -3.005 -7.823 1.00 0.00 C ATOM 71 OE1 GLU A 5 16.498 -3.968 -7.035 1.00 0.00 O ATOM 72 OE2 GLU A 5 15.407 -2.866 -8.588 1.00 0.00 O ATOM 0 HA GLU A 5 16.060 0.207 -7.798 1.00 0.00 H new ATOM 0 HB2 GLU A 5 18.407 -0.461 -6.663 1.00 0.00 H new ATOM 0 HB3 GLU A 5 17.378 -1.564 -5.770 1.00 0.00 H new ATOM 0 HG2 GLU A 5 17.423 -1.416 -8.798 1.00 0.00 H new ATOM 0 HG3 GLU A 5 18.455 -2.487 -7.871 1.00 0.00 H new ATOM 79 N ILE A 6 14.046 -0.840 -6.814 1.00 0.00 N ATOM 80 CA ILE A 6 12.787 -1.319 -6.252 1.00 0.00 C ATOM 81 C ILE A 6 12.992 -2.623 -5.488 1.00 0.00 C ATOM 82 O ILE A 6 13.340 -3.648 -6.074 1.00 0.00 O ATOM 83 CB ILE A 6 11.721 -1.551 -7.347 1.00 0.00 C ATOM 84 CG1 ILE A 6 11.488 -0.271 -8.154 1.00 0.00 C ATOM 85 CG2 ILE A 6 10.414 -2.035 -6.727 1.00 0.00 C ATOM 86 CD1 ILE A 6 10.504 -0.444 -9.296 1.00 0.00 C ATOM 0 H ILE A 6 14.057 -0.784 -7.832 1.00 0.00 H new ATOM 0 HA ILE A 6 12.435 -0.543 -5.573 1.00 0.00 H new ATOM 0 HB ILE A 6 12.089 -2.322 -8.024 1.00 0.00 H new ATOM 0 HG12 ILE A 6 11.123 0.509 -7.486 1.00 0.00 H new ATOM 0 HG13 ILE A 6 12.441 0.074 -8.555 1.00 0.00 H new ATOM 0 HG21 ILE A 6 9.675 -2.193 -7.513 1.00 0.00 H new ATOM 0 HG22 ILE A 6 10.587 -2.972 -6.198 1.00 0.00 H new ATOM 0 HG23 ILE A 6 10.044 -1.286 -6.027 1.00 0.00 H new ATOM 0 HD11 ILE A 6 10.388 0.503 -9.823 1.00 0.00 H new ATOM 0 HD12 ILE A 6 10.877 -1.200 -9.986 1.00 0.00 H new ATOM 0 HD13 ILE A 6 9.539 -0.759 -8.900 1.00 0.00 H new ATOM 98 N LYS A 7 12.804 -2.581 -4.181 1.00 0.00 N ATOM 99 CA LYS A 7 12.881 -3.780 -3.369 1.00 0.00 C ATOM 100 C LYS A 7 11.505 -4.423 -3.296 1.00 0.00 C ATOM 101 O LYS A 7 10.572 -3.853 -2.727 1.00 0.00 O ATOM 102 CB LYS A 7 13.395 -3.448 -1.969 1.00 0.00 C ATOM 103 CG LYS A 7 14.790 -2.834 -1.938 1.00 0.00 C ATOM 104 CD LYS A 7 15.893 -3.871 -2.137 1.00 0.00 C ATOM 105 CE LYS A 7 16.498 -3.823 -3.536 1.00 0.00 C ATOM 106 NZ LYS A 7 15.612 -4.428 -4.565 1.00 0.00 N ATOM 0 H LYS A 7 12.597 -1.729 -3.660 1.00 0.00 H new ATOM 0 HA LYS A 7 13.581 -4.480 -3.825 1.00 0.00 H new ATOM 0 HB2 LYS A 7 12.697 -2.759 -1.493 1.00 0.00 H new ATOM 0 HB3 LYS A 7 13.399 -4.360 -1.371 1.00 0.00 H new ATOM 0 HG2 LYS A 7 14.866 -2.074 -2.716 1.00 0.00 H new ATOM 0 HG3 LYS A 7 14.939 -2.329 -0.984 1.00 0.00 H new ATOM 0 HD2 LYS A 7 16.679 -3.706 -1.400 1.00 0.00 H new ATOM 0 HD3 LYS A 7 15.488 -4.866 -1.954 1.00 0.00 H new ATOM 0 HE2 LYS A 7 16.703 -2.786 -3.803 1.00 0.00 H new ATOM 0 HE3 LYS A 7 17.454 -4.347 -3.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 16.177 -4.695 -5.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 15.152 -5.274 -4.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 14.886 -3.739 -4.847 1.00 0.00 H new ATOM 120 N GLN A 8 11.374 -5.595 -3.897 1.00 0.00 N ATOM 121 CA GLN A 8 10.083 -6.256 -3.981 1.00 0.00 C ATOM 122 C GLN A 8 9.807 -7.100 -2.745 1.00 0.00 C ATOM 123 O GLN A 8 10.560 -8.017 -2.415 1.00 0.00 O ATOM 124 CB GLN A 8 10.001 -7.126 -5.236 1.00 0.00 C ATOM 125 CG GLN A 8 8.695 -7.898 -5.347 1.00 0.00 C ATOM 126 CD GLN A 8 8.585 -8.700 -6.630 1.00 0.00 C ATOM 127 OE1 GLN A 8 9.591 -9.144 -7.193 1.00 0.00 O ATOM 128 NE2 GLN A 8 7.360 -8.897 -7.096 1.00 0.00 N ATOM 0 H GLN A 8 12.143 -6.106 -4.332 1.00 0.00 H new ATOM 0 HA GLN A 8 9.322 -5.478 -4.038 1.00 0.00 H new ATOM 0 HB2 GLN A 8 10.118 -6.494 -6.116 1.00 0.00 H new ATOM 0 HB3 GLN A 8 10.833 -7.830 -5.237 1.00 0.00 H new ATOM 0 HG2 GLN A 8 8.605 -8.572 -4.495 1.00 0.00 H new ATOM 0 HG3 GLN A 8 7.861 -7.199 -5.290 1.00 0.00 H new ATOM 0 HE21 GLN A 8 6.557 -8.512 -6.599 1.00 0.00 H new ATOM 0 HE22 GLN A 8 7.220 -9.434 -7.952 1.00 0.00 H new ATOM 137 N GLY A 9 8.732 -6.763 -2.061 1.00 0.00 N ATOM 138 CA GLY A 9 8.251 -7.576 -0.973 1.00 0.00 C ATOM 139 C GLY A 9 6.884 -8.129 -1.296 1.00 0.00 C ATOM 140 O GLY A 9 6.291 -7.756 -2.310 1.00 0.00 O ATOM 0 H GLY A 9 8.176 -5.927 -2.244 1.00 0.00 H new ATOM 0 HA2 GLY A 9 8.947 -8.394 -0.786 1.00 0.00 H new ATOM 0 HA3 GLY A 9 8.204 -6.983 -0.060 1.00 0.00 H new ATOM 144 N GLU A 10 6.384 -9.005 -0.445 1.00 0.00 N ATOM 145 CA GLU A 10 5.087 -9.629 -0.654 1.00 0.00 C ATOM 146 C GLU A 10 3.978 -8.582 -0.688 1.00 0.00 C ATOM 147 O GLU A 10 3.565 -8.072 0.357 1.00 0.00 O ATOM 148 CB GLU A 10 4.795 -10.650 0.448 1.00 0.00 C ATOM 149 CG GLU A 10 5.962 -11.576 0.772 1.00 0.00 C ATOM 150 CD GLU A 10 6.919 -10.981 1.787 1.00 0.00 C ATOM 151 OE1 GLU A 10 7.843 -10.244 1.384 1.00 0.00 O ATOM 152 OE2 GLU A 10 6.739 -11.234 2.998 1.00 0.00 O ATOM 0 H GLU A 10 6.860 -9.304 0.406 1.00 0.00 H new ATOM 0 HA GLU A 10 5.117 -10.141 -1.616 1.00 0.00 H new ATOM 0 HB2 GLU A 10 4.508 -10.117 1.354 1.00 0.00 H new ATOM 0 HB3 GLU A 10 3.939 -11.255 0.149 1.00 0.00 H new ATOM 0 HG2 GLU A 10 5.575 -12.521 1.154 1.00 0.00 H new ATOM 0 HG3 GLU A 10 6.506 -11.802 -0.145 1.00 0.00 H new ATOM 159 N ASN A 11 3.529 -8.249 -1.899 1.00 0.00 N ATOM 160 CA ASN A 11 2.453 -7.277 -2.110 1.00 0.00 C ATOM 161 C ASN A 11 2.871 -5.874 -1.674 1.00 0.00 C ATOM 162 O ASN A 11 2.028 -4.999 -1.457 1.00 0.00 O ATOM 163 CB ASN A 11 1.174 -7.697 -1.371 1.00 0.00 C ATOM 164 CG ASN A 11 0.508 -8.922 -1.971 1.00 0.00 C ATOM 165 OD1 ASN A 11 1.166 -9.808 -2.517 1.00 0.00 O ATOM 166 ND2 ASN A 11 -0.808 -8.980 -1.875 1.00 0.00 N ATOM 0 H ASN A 11 3.901 -8.645 -2.762 1.00 0.00 H new ATOM 0 HA ASN A 11 2.247 -7.255 -3.180 1.00 0.00 H new ATOM 0 HB2 ASN A 11 1.415 -7.898 -0.327 1.00 0.00 H new ATOM 0 HB3 ASN A 11 0.468 -6.867 -1.381 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -1.313 -9.778 -2.260 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -1.320 -8.227 -1.415 1.00 0.00 H new ATOM 173 N LYS A 12 4.173 -5.650 -1.588 1.00 0.00 N ATOM 174 CA LYS A 12 4.697 -4.376 -1.124 1.00 0.00 C ATOM 175 C LYS A 12 5.964 -3.992 -1.884 1.00 0.00 C ATOM 176 O LYS A 12 6.971 -4.696 -1.832 1.00 0.00 O ATOM 177 CB LYS A 12 4.975 -4.438 0.387 1.00 0.00 C ATOM 178 CG LYS A 12 5.814 -5.634 0.811 1.00 0.00 C ATOM 179 CD LYS A 12 5.990 -5.710 2.317 1.00 0.00 C ATOM 180 CE LYS A 12 6.757 -6.962 2.711 1.00 0.00 C ATOM 181 NZ LYS A 12 6.921 -7.084 4.184 1.00 0.00 N ATOM 0 H LYS A 12 4.887 -6.336 -1.834 1.00 0.00 H new ATOM 0 HA LYS A 12 3.947 -3.609 -1.315 1.00 0.00 H new ATOM 0 HB2 LYS A 12 5.484 -3.523 0.691 1.00 0.00 H new ATOM 0 HB3 LYS A 12 4.025 -4.466 0.920 1.00 0.00 H new ATOM 0 HG2 LYS A 12 5.342 -6.550 0.456 1.00 0.00 H new ATOM 0 HG3 LYS A 12 6.793 -5.575 0.336 1.00 0.00 H new ATOM 0 HD2 LYS A 12 6.522 -4.827 2.670 1.00 0.00 H new ATOM 0 HD3 LYS A 12 5.014 -5.709 2.802 1.00 0.00 H new ATOM 0 HE2 LYS A 12 6.234 -7.840 2.332 1.00 0.00 H new ATOM 0 HE3 LYS A 12 7.739 -6.947 2.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 7.627 -7.818 4.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 7.241 -6.174 4.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 6.011 -7.345 4.614 1.00 0.00 H new ATOM 195 N PHE A 13 5.902 -2.887 -2.606 1.00 0.00 N ATOM 196 CA PHE A 13 7.075 -2.361 -3.286 1.00 0.00 C ATOM 197 C PHE A 13 7.648 -1.206 -2.485 1.00 0.00 C ATOM 198 O PHE A 13 7.025 -0.152 -2.370 1.00 0.00 O ATOM 199 CB PHE A 13 6.737 -1.893 -4.706 1.00 0.00 C ATOM 200 CG PHE A 13 6.353 -3.003 -5.642 1.00 0.00 C ATOM 201 CD1 PHE A 13 7.236 -4.037 -5.912 1.00 0.00 C ATOM 202 CD2 PHE A 13 5.115 -3.004 -6.262 1.00 0.00 C ATOM 203 CE1 PHE A 13 6.889 -5.053 -6.781 1.00 0.00 C ATOM 204 CE2 PHE A 13 4.761 -4.017 -7.133 1.00 0.00 C ATOM 205 CZ PHE A 13 5.649 -5.043 -7.392 1.00 0.00 C ATOM 0 H PHE A 13 5.053 -2.336 -2.737 1.00 0.00 H new ATOM 0 HA PHE A 13 7.812 -3.160 -3.364 1.00 0.00 H new ATOM 0 HB2 PHE A 13 5.918 -1.175 -4.655 1.00 0.00 H new ATOM 0 HB3 PHE A 13 7.598 -1.366 -5.118 1.00 0.00 H new ATOM 0 HD1 PHE A 13 8.206 -4.048 -5.438 1.00 0.00 H new ATOM 0 HD2 PHE A 13 4.418 -2.204 -6.063 1.00 0.00 H new ATOM 0 HE1 PHE A 13 7.585 -5.854 -6.983 1.00 0.00 H new ATOM 0 HE2 PHE A 13 3.792 -4.006 -7.610 1.00 0.00 H new ATOM 0 HZ PHE A 13 5.375 -5.837 -8.071 1.00 0.00 H new ATOM 215 N TYR A 14 8.820 -1.413 -1.917 1.00 0.00 N ATOM 216 CA TYR A 14 9.447 -0.403 -1.082 1.00 0.00 C ATOM 217 C TYR A 14 10.855 -0.098 -1.575 1.00 0.00 C ATOM 218 O TYR A 14 11.535 -0.964 -2.123 1.00 0.00 O ATOM 219 CB TYR A 14 9.473 -0.858 0.388 1.00 0.00 C ATOM 220 CG TYR A 14 10.194 -2.169 0.629 1.00 0.00 C ATOM 221 CD1 TYR A 14 9.565 -3.385 0.388 1.00 0.00 C ATOM 222 CD2 TYR A 14 11.501 -2.190 1.104 1.00 0.00 C ATOM 223 CE1 TYR A 14 10.219 -4.583 0.610 1.00 0.00 C ATOM 224 CE2 TYR A 14 12.160 -3.383 1.328 1.00 0.00 C ATOM 225 CZ TYR A 14 11.515 -4.578 1.078 1.00 0.00 C ATOM 226 OH TYR A 14 12.166 -5.771 1.302 1.00 0.00 O ATOM 0 H TYR A 14 9.359 -2.273 -2.018 1.00 0.00 H new ATOM 0 HA TYR A 14 8.857 0.511 -1.147 1.00 0.00 H new ATOM 0 HB2 TYR A 14 9.949 -0.081 0.987 1.00 0.00 H new ATOM 0 HB3 TYR A 14 8.447 -0.952 0.744 1.00 0.00 H new ATOM 0 HD1 TYR A 14 8.549 -3.394 0.021 1.00 0.00 H new ATOM 0 HD2 TYR A 14 12.009 -1.258 1.301 1.00 0.00 H new ATOM 0 HE1 TYR A 14 9.716 -5.519 0.417 1.00 0.00 H new ATOM 0 HE2 TYR A 14 13.175 -3.381 1.697 1.00 0.00 H new ATOM 0 HH TYR A 14 13.072 -5.593 1.630 1.00 0.00 H new ATOM 236 N ILE A 15 11.273 1.144 -1.413 1.00 0.00 N ATOM 237 CA ILE A 15 12.622 1.544 -1.767 1.00 0.00 C ATOM 238 C ILE A 15 13.305 2.210 -0.579 1.00 0.00 C ATOM 239 O ILE A 15 12.809 3.194 -0.019 1.00 0.00 O ATOM 240 CB ILE A 15 12.641 2.471 -3.007 1.00 0.00 C ATOM 241 CG1 ILE A 15 12.217 1.673 -4.246 1.00 0.00 C ATOM 242 CG2 ILE A 15 14.023 3.082 -3.213 1.00 0.00 C ATOM 243 CD1 ILE A 15 12.237 2.464 -5.536 1.00 0.00 C ATOM 0 H ILE A 15 10.695 1.896 -1.037 1.00 0.00 H new ATOM 0 HA ILE A 15 13.178 0.644 -2.031 1.00 0.00 H new ATOM 0 HB ILE A 15 11.938 3.288 -2.845 1.00 0.00 H new ATOM 0 HG12 ILE A 15 12.877 0.812 -4.352 1.00 0.00 H new ATOM 0 HG13 ILE A 15 11.211 1.286 -4.087 1.00 0.00 H new ATOM 0 HG21 ILE A 15 14.008 3.728 -4.090 1.00 0.00 H new ATOM 0 HG22 ILE A 15 14.296 3.668 -2.335 1.00 0.00 H new ATOM 0 HG23 ILE A 15 14.754 2.287 -3.361 1.00 0.00 H new ATOM 0 HD11 ILE A 15 11.924 1.823 -6.360 1.00 0.00 H new ATOM 0 HD12 ILE A 15 11.555 3.310 -5.455 1.00 0.00 H new ATOM 0 HD13 ILE A 15 13.247 2.829 -5.723 1.00 0.00 H new ATOM 255 N GLY A 16 14.428 1.630 -0.182 1.00 0.00 N ATOM 256 CA GLY A 16 15.181 2.122 0.950 1.00 0.00 C ATOM 257 C GLY A 16 16.246 1.126 1.359 1.00 0.00 C ATOM 258 O GLY A 16 16.410 0.092 0.705 1.00 0.00 O ATOM 0 H GLY A 16 14.836 0.812 -0.635 1.00 0.00 H new ATOM 0 HA2 GLY A 16 15.645 3.075 0.697 1.00 0.00 H new ATOM 0 HA3 GLY A 16 14.508 2.307 1.788 1.00 0.00 H new ATOM 262 N ASP A 17 16.965 1.419 2.434 1.00 0.00 N ATOM 263 CA ASP A 17 18.024 0.530 2.896 1.00 0.00 C ATOM 264 C ASP A 17 17.456 -0.546 3.816 1.00 0.00 C ATOM 265 O ASP A 17 18.018 -1.636 3.934 1.00 0.00 O ATOM 266 CB ASP A 17 19.138 1.309 3.607 1.00 0.00 C ATOM 267 CG ASP A 17 18.738 1.823 4.976 1.00 0.00 C ATOM 268 OD1 ASP A 17 18.137 2.919 5.051 1.00 0.00 O ATOM 269 OD2 ASP A 17 19.041 1.148 5.980 1.00 0.00 O ATOM 0 H ASP A 17 16.837 2.258 2.999 1.00 0.00 H new ATOM 0 HA ASP A 17 18.459 0.049 2.020 1.00 0.00 H new ATOM 0 HB2 ASP A 17 20.012 0.665 3.710 1.00 0.00 H new ATOM 0 HB3 ASP A 17 19.435 2.152 2.984 1.00 0.00 H new ATOM 274 N ASP A 18 16.335 -0.241 4.457 1.00 0.00 N ATOM 275 CA ASP A 18 15.657 -1.196 5.317 1.00 0.00 C ATOM 276 C ASP A 18 14.155 -1.029 5.150 1.00 0.00 C ATOM 277 O ASP A 18 13.679 0.087 4.945 1.00 0.00 O ATOM 278 CB ASP A 18 16.064 -0.973 6.775 1.00 0.00 C ATOM 279 CG ASP A 18 15.553 -2.051 7.709 1.00 0.00 C ATOM 280 OD1 ASP A 18 14.354 -2.035 8.052 1.00 0.00 O ATOM 281 OD2 ASP A 18 16.358 -2.908 8.127 1.00 0.00 O ATOM 0 H ASP A 18 15.875 0.667 4.395 1.00 0.00 H new ATOM 0 HA ASP A 18 15.941 -2.211 5.038 1.00 0.00 H new ATOM 0 HB2 ASP A 18 17.151 -0.931 6.840 1.00 0.00 H new ATOM 0 HB3 ASP A 18 15.687 -0.005 7.107 1.00 0.00 H new ATOM 286 N GLU A 19 13.415 -2.126 5.225 1.00 0.00 N ATOM 287 CA GLU A 19 11.970 -2.089 5.010 1.00 0.00 C ATOM 288 C GLU A 19 11.277 -1.260 6.090 1.00 0.00 C ATOM 289 O GLU A 19 10.270 -0.605 5.829 1.00 0.00 O ATOM 290 CB GLU A 19 11.399 -3.506 4.993 1.00 0.00 C ATOM 291 CG GLU A 19 9.964 -3.581 4.496 1.00 0.00 C ATOM 292 CD GLU A 19 9.407 -4.988 4.532 1.00 0.00 C ATOM 293 OE1 GLU A 19 9.940 -5.865 3.824 1.00 0.00 O ATOM 294 OE2 GLU A 19 8.421 -5.221 5.261 1.00 0.00 O ATOM 0 H GLU A 19 13.788 -3.053 5.433 1.00 0.00 H new ATOM 0 HA GLU A 19 11.785 -1.619 4.044 1.00 0.00 H new ATOM 0 HB2 GLU A 19 12.027 -4.133 4.360 1.00 0.00 H new ATOM 0 HB3 GLU A 19 11.447 -3.920 6.000 1.00 0.00 H new ATOM 0 HG2 GLU A 19 9.338 -2.931 5.107 1.00 0.00 H new ATOM 0 HG3 GLU A 19 9.917 -3.202 3.475 1.00 0.00 H new ATOM 301 N ASN A 20 11.837 -1.276 7.295 1.00 0.00 N ATOM 302 CA ASN A 20 11.260 -0.545 8.420 1.00 0.00 C ATOM 303 C ASN A 20 11.350 0.962 8.190 1.00 0.00 C ATOM 304 O ASN A 20 10.449 1.712 8.566 1.00 0.00 O ATOM 305 CB ASN A 20 11.977 -0.921 9.723 1.00 0.00 C ATOM 306 CG ASN A 20 11.435 -0.193 10.944 1.00 0.00 C ATOM 307 OD1 ASN A 20 12.194 0.186 11.835 1.00 0.00 O ATOM 308 ND2 ASN A 20 10.122 -0.032 11.016 1.00 0.00 N ATOM 0 H ASN A 20 12.691 -1.787 7.519 1.00 0.00 H new ATOM 0 HA ASN A 20 10.208 -0.820 8.502 1.00 0.00 H new ATOM 0 HB2 ASN A 20 11.888 -1.996 9.881 1.00 0.00 H new ATOM 0 HB3 ASN A 20 13.040 -0.701 9.620 1.00 0.00 H new ATOM 0 HD21 ASN A 20 9.708 0.420 11.831 1.00 0.00 H new ATOM 0 HD22 ASN A 20 9.526 -0.360 10.256 1.00 0.00 H new ATOM 315 N ASN A 21 12.424 1.399 7.547 1.00 0.00 N ATOM 316 CA ASN A 21 12.648 2.822 7.333 1.00 0.00 C ATOM 317 C ASN A 21 12.812 3.125 5.849 1.00 0.00 C ATOM 318 O ASN A 21 13.710 3.866 5.440 1.00 0.00 O ATOM 319 CB ASN A 21 13.868 3.309 8.129 1.00 0.00 C ATOM 320 CG ASN A 21 15.109 2.468 7.903 1.00 0.00 C ATOM 321 OD1 ASN A 21 15.886 2.719 6.985 1.00 0.00 O ATOM 322 ND2 ASN A 21 15.318 1.475 8.754 1.00 0.00 N ATOM 0 H ASN A 21 13.150 0.792 7.166 1.00 0.00 H new ATOM 0 HA ASN A 21 11.773 3.362 7.694 1.00 0.00 H new ATOM 0 HB2 ASN A 21 14.083 4.342 7.855 1.00 0.00 H new ATOM 0 HB3 ASN A 21 13.624 3.306 9.191 1.00 0.00 H new ATOM 0 HD21 ASN A 21 16.147 0.888 8.659 1.00 0.00 H new ATOM 0 HD22 ASN A 21 14.650 1.297 9.504 1.00 0.00 H new ATOM 329 N ALA A 22 11.932 2.544 5.046 1.00 0.00 N ATOM 330 CA ALA A 22 11.926 2.790 3.613 1.00 0.00 C ATOM 331 C ALA A 22 11.544 4.238 3.322 1.00 0.00 C ATOM 332 O ALA A 22 10.714 4.822 4.023 1.00 0.00 O ATOM 333 CB ALA A 22 10.966 1.840 2.915 1.00 0.00 C ATOM 0 H ALA A 22 11.211 1.897 5.365 1.00 0.00 H new ATOM 0 HA ALA A 22 12.930 2.613 3.229 1.00 0.00 H new ATOM 0 HB1 ALA A 22 10.974 2.038 1.843 1.00 0.00 H new ATOM 0 HB2 ALA A 22 11.276 0.811 3.097 1.00 0.00 H new ATOM 0 HB3 ALA A 22 9.959 1.989 3.304 1.00 0.00 H new ATOM 339 N LEU A 23 12.149 4.810 2.289 1.00 0.00 N ATOM 340 CA LEU A 23 11.902 6.201 1.937 1.00 0.00 C ATOM 341 C LEU A 23 10.594 6.333 1.167 1.00 0.00 C ATOM 342 O LEU A 23 9.948 7.380 1.188 1.00 0.00 O ATOM 343 CB LEU A 23 13.063 6.758 1.107 1.00 0.00 C ATOM 344 CG LEU A 23 14.426 6.747 1.801 1.00 0.00 C ATOM 345 CD1 LEU A 23 15.485 7.351 0.894 1.00 0.00 C ATOM 346 CD2 LEU A 23 14.356 7.501 3.121 1.00 0.00 C ATOM 0 H LEU A 23 12.814 4.332 1.681 1.00 0.00 H new ATOM 0 HA LEU A 23 11.823 6.779 2.858 1.00 0.00 H new ATOM 0 HB2 LEU A 23 13.138 6.182 0.185 1.00 0.00 H new ATOM 0 HB3 LEU A 23 12.826 7.783 0.823 1.00 0.00 H new ATOM 0 HG LEU A 23 14.702 5.714 2.011 1.00 0.00 H new ATOM 0 HD11 LEU A 23 16.450 7.336 1.401 1.00 0.00 H new ATOM 0 HD12 LEU A 23 15.550 6.770 -0.026 1.00 0.00 H new ATOM 0 HD13 LEU A 23 15.216 8.380 0.656 1.00 0.00 H new ATOM 0 HD21 LEU A 23 15.334 7.484 3.602 1.00 0.00 H new ATOM 0 HD22 LEU A 23 14.061 8.534 2.935 1.00 0.00 H new ATOM 0 HD23 LEU A 23 13.623 7.026 3.773 1.00 0.00 H new ATOM 358 N ALA A 24 10.217 5.261 0.486 1.00 0.00 N ATOM 359 CA ALA A 24 8.962 5.225 -0.248 1.00 0.00 C ATOM 360 C ALA A 24 8.479 3.792 -0.396 1.00 0.00 C ATOM 361 O ALA A 24 9.250 2.914 -0.792 1.00 0.00 O ATOM 362 CB ALA A 24 9.134 5.865 -1.615 1.00 0.00 C ATOM 0 H ALA A 24 10.764 4.402 0.427 1.00 0.00 H new ATOM 0 HA ALA A 24 8.215 5.789 0.311 1.00 0.00 H new ATOM 0 HB1 ALA A 24 8.187 5.832 -2.154 1.00 0.00 H new ATOM 0 HB2 ALA A 24 9.446 6.902 -1.494 1.00 0.00 H new ATOM 0 HB3 ALA A 24 9.892 5.321 -2.179 1.00 0.00 H new ATOM 368 N GLU A 25 7.218 3.549 -0.066 1.00 0.00 N ATOM 369 CA GLU A 25 6.648 2.220 -0.218 1.00 0.00 C ATOM 370 C GLU A 25 5.205 2.294 -0.705 1.00 0.00 C ATOM 371 O GLU A 25 4.454 3.209 -0.351 1.00 0.00 O ATOM 372 CB GLU A 25 6.732 1.419 1.092 1.00 0.00 C ATOM 373 CG GLU A 25 5.752 1.848 2.178 1.00 0.00 C ATOM 374 CD GLU A 25 6.065 3.203 2.781 1.00 0.00 C ATOM 375 OE1 GLU A 25 7.070 3.314 3.509 1.00 0.00 O ATOM 376 OE2 GLU A 25 5.291 4.153 2.549 1.00 0.00 O ATOM 0 H GLU A 25 6.576 4.249 0.306 1.00 0.00 H new ATOM 0 HA GLU A 25 7.239 1.698 -0.971 1.00 0.00 H new ATOM 0 HB2 GLU A 25 6.562 0.366 0.867 1.00 0.00 H new ATOM 0 HB3 GLU A 25 7.745 1.502 1.486 1.00 0.00 H new ATOM 0 HG2 GLU A 25 4.746 1.870 1.759 1.00 0.00 H new ATOM 0 HG3 GLU A 25 5.751 1.099 2.970 1.00 0.00 H new ATOM 383 N ILE A 26 4.837 1.334 -1.536 1.00 0.00 N ATOM 384 CA ILE A 26 3.480 1.226 -2.049 1.00 0.00 C ATOM 385 C ILE A 26 2.976 -0.207 -1.887 1.00 0.00 C ATOM 386 O ILE A 26 3.634 -1.161 -2.314 1.00 0.00 O ATOM 387 CB ILE A 26 3.399 1.669 -3.533 1.00 0.00 C ATOM 388 CG1 ILE A 26 1.990 1.447 -4.090 1.00 0.00 C ATOM 389 CG2 ILE A 26 4.436 0.937 -4.381 1.00 0.00 C ATOM 390 CD1 ILE A 26 1.803 1.976 -5.497 1.00 0.00 C ATOM 0 H ILE A 26 5.469 0.608 -1.874 1.00 0.00 H new ATOM 0 HA ILE A 26 2.842 1.896 -1.472 1.00 0.00 H new ATOM 0 HB ILE A 26 3.620 2.735 -3.577 1.00 0.00 H new ATOM 0 HG12 ILE A 26 1.768 0.380 -4.080 1.00 0.00 H new ATOM 0 HG13 ILE A 26 1.268 1.929 -3.431 1.00 0.00 H new ATOM 0 HG21 ILE A 26 4.357 1.267 -5.417 1.00 0.00 H new ATOM 0 HG22 ILE A 26 5.435 1.158 -4.005 1.00 0.00 H new ATOM 0 HG23 ILE A 26 4.257 -0.137 -4.327 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.782 1.783 -5.825 1.00 0.00 H new ATOM 0 HD12 ILE A 26 1.992 3.049 -5.510 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.500 1.476 -6.169 1.00 0.00 H new ATOM 402 N THR A 27 1.831 -0.362 -1.237 1.00 0.00 N ATOM 403 CA THR A 27 1.291 -1.683 -0.958 1.00 0.00 C ATOM 404 C THR A 27 -0.028 -1.920 -1.685 1.00 0.00 C ATOM 405 O THR A 27 -0.880 -1.032 -1.760 1.00 0.00 O ATOM 406 CB THR A 27 1.081 -1.888 0.555 1.00 0.00 C ATOM 407 OG1 THR A 27 0.428 -0.742 1.121 1.00 0.00 O ATOM 408 CG2 THR A 27 2.409 -2.125 1.260 1.00 0.00 C ATOM 0 H THR A 27 1.260 0.410 -0.894 1.00 0.00 H new ATOM 0 HA THR A 27 2.023 -2.404 -1.322 1.00 0.00 H new ATOM 0 HB THR A 27 0.453 -2.768 0.696 1.00 0.00 H new ATOM 0 HG1 THR A 27 0.154 -0.942 2.040 1.00 0.00 H new ATOM 0 HG21 THR A 27 2.235 -2.267 2.327 1.00 0.00 H new ATOM 0 HG22 THR A 27 2.886 -3.015 0.849 1.00 0.00 H new ATOM 0 HG23 THR A 27 3.059 -1.263 1.110 1.00 0.00 H new ATOM 416 N TYR A 28 -0.190 -3.123 -2.215 1.00 0.00 N ATOM 417 CA TYR A 28 -1.414 -3.499 -2.902 1.00 0.00 C ATOM 418 C TYR A 28 -2.002 -4.758 -2.276 1.00 0.00 C ATOM 419 O TYR A 28 -1.323 -5.774 -2.133 1.00 0.00 O ATOM 420 CB TYR A 28 -1.165 -3.692 -4.408 1.00 0.00 C ATOM 421 CG TYR A 28 -0.050 -4.665 -4.749 1.00 0.00 C ATOM 422 CD1 TYR A 28 1.272 -4.243 -4.811 1.00 0.00 C ATOM 423 CD2 TYR A 28 -0.324 -6.000 -5.023 1.00 0.00 C ATOM 424 CE1 TYR A 28 2.290 -5.122 -5.129 1.00 0.00 C ATOM 425 CE2 TYR A 28 0.690 -6.885 -5.341 1.00 0.00 C ATOM 426 CZ TYR A 28 1.993 -6.441 -5.396 1.00 0.00 C ATOM 427 OH TYR A 28 3.005 -7.318 -5.711 1.00 0.00 O ATOM 0 H TYR A 28 0.516 -3.859 -2.181 1.00 0.00 H new ATOM 0 HA TYR A 28 -2.136 -2.690 -2.791 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -2.087 -4.041 -4.873 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -0.931 -2.724 -4.850 1.00 0.00 H new ATOM 0 HD1 TYR A 28 1.509 -3.209 -4.607 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -1.345 -6.352 -4.987 1.00 0.00 H new ATOM 0 HE1 TYR A 28 3.313 -4.777 -5.168 1.00 0.00 H new ATOM 0 HE2 TYR A 28 0.461 -7.920 -5.545 1.00 0.00 H new ATOM 0 HH TYR A 28 2.628 -8.209 -5.870 1.00 0.00 H new ATOM 437 N ARG A 29 -3.258 -4.680 -1.874 1.00 0.00 N ATOM 438 CA ARG A 29 -3.910 -5.795 -1.205 1.00 0.00 C ATOM 439 C ARG A 29 -4.958 -6.430 -2.104 1.00 0.00 C ATOM 440 O ARG A 29 -5.781 -5.738 -2.692 1.00 0.00 O ATOM 441 CB ARG A 29 -4.586 -5.321 0.077 1.00 0.00 C ATOM 442 CG ARG A 29 -3.697 -4.475 0.975 1.00 0.00 C ATOM 443 CD ARG A 29 -4.452 -4.010 2.207 1.00 0.00 C ATOM 444 NE ARG A 29 -5.632 -3.221 1.861 1.00 0.00 N ATOM 445 CZ ARG A 29 -6.831 -3.385 2.420 1.00 0.00 C ATOM 446 NH1 ARG A 29 -7.020 -4.331 3.332 1.00 0.00 N ATOM 447 NH2 ARG A 29 -7.847 -2.616 2.059 1.00 0.00 N ATOM 0 H ARG A 29 -3.848 -3.857 -1.998 1.00 0.00 H new ATOM 0 HA ARG A 29 -3.144 -6.533 -0.969 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -5.473 -4.744 -0.185 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -4.927 -6.191 0.638 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -2.823 -5.053 1.276 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -3.332 -3.611 0.420 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -4.755 -4.876 2.795 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -3.789 -3.415 2.835 1.00 0.00 H new ATOM 0 HE ARG A 29 -5.532 -2.499 1.147 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -6.246 -4.936 3.607 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -7.939 -4.453 3.757 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -7.714 -1.895 1.350 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -8.763 -2.745 2.490 1.00 0.00 H new ATOM 461 N PHE A 30 -4.933 -7.744 -2.200 1.00 0.00 N ATOM 462 CA PHE A 30 -5.960 -8.469 -2.931 1.00 0.00 C ATOM 463 C PHE A 30 -7.209 -8.564 -2.066 1.00 0.00 C ATOM 464 O PHE A 30 -7.280 -9.376 -1.143 1.00 0.00 O ATOM 465 CB PHE A 30 -5.474 -9.868 -3.324 1.00 0.00 C ATOM 466 CG PHE A 30 -4.423 -9.875 -4.399 1.00 0.00 C ATOM 467 CD1 PHE A 30 -3.083 -9.737 -4.082 1.00 0.00 C ATOM 468 CD2 PHE A 30 -4.780 -10.035 -5.728 1.00 0.00 C ATOM 469 CE1 PHE A 30 -2.117 -9.752 -5.070 1.00 0.00 C ATOM 470 CE2 PHE A 30 -3.819 -10.049 -6.722 1.00 0.00 C ATOM 471 CZ PHE A 30 -2.485 -9.909 -6.392 1.00 0.00 C ATOM 0 H PHE A 30 -4.214 -8.334 -1.782 1.00 0.00 H new ATOM 0 HA PHE A 30 -6.189 -7.931 -3.851 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -5.076 -10.364 -2.439 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -6.328 -10.455 -3.662 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -2.789 -9.616 -3.050 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -5.821 -10.150 -5.991 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.075 -9.641 -4.809 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -4.111 -10.169 -7.755 1.00 0.00 H new ATOM 0 HZ PHE A 30 -1.732 -9.922 -7.166 1.00 0.00 H new ATOM 481 N VAL A 31 -8.175 -7.702 -2.340 1.00 0.00 N ATOM 482 CA VAL A 31 -9.356 -7.597 -1.496 1.00 0.00 C ATOM 483 C VAL A 31 -10.512 -8.458 -2.000 1.00 0.00 C ATOM 484 O VAL A 31 -11.204 -9.096 -1.205 1.00 0.00 O ATOM 485 CB VAL A 31 -9.821 -6.132 -1.346 1.00 0.00 C ATOM 486 CG1 VAL A 31 -8.818 -5.340 -0.520 1.00 0.00 C ATOM 487 CG2 VAL A 31 -10.026 -5.476 -2.704 1.00 0.00 C ATOM 0 H VAL A 31 -8.166 -7.066 -3.138 1.00 0.00 H new ATOM 0 HA VAL A 31 -9.059 -7.973 -0.517 1.00 0.00 H new ATOM 0 HB VAL A 31 -10.780 -6.135 -0.827 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -9.160 -4.309 -0.423 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -8.728 -5.787 0.470 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -7.847 -5.355 -1.014 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -10.353 -4.446 -2.565 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -9.088 -5.487 -3.259 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -10.784 -6.025 -3.263 1.00 0.00 H new ATOM 497 N ASP A 32 -10.723 -8.490 -3.309 1.00 0.00 N ATOM 498 CA ASP A 32 -11.837 -9.249 -3.863 1.00 0.00 C ATOM 499 C ASP A 32 -11.329 -10.482 -4.609 1.00 0.00 C ATOM 500 O ASP A 32 -11.266 -11.568 -4.039 1.00 0.00 O ATOM 501 CB ASP A 32 -12.694 -8.364 -4.774 1.00 0.00 C ATOM 502 CG ASP A 32 -14.042 -8.984 -5.081 1.00 0.00 C ATOM 503 OD1 ASP A 32 -14.121 -9.843 -5.981 1.00 0.00 O ATOM 504 OD2 ASP A 32 -15.035 -8.605 -4.423 1.00 0.00 O ATOM 0 H ASP A 32 -10.147 -8.007 -3.999 1.00 0.00 H new ATOM 0 HA ASP A 32 -12.466 -9.590 -3.041 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -12.843 -7.395 -4.298 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -12.160 -8.183 -5.707 1.00 0.00 H new ATOM 509 N ASN A 33 -10.948 -10.317 -5.870 1.00 0.00 N ATOM 510 CA ASN A 33 -10.376 -11.421 -6.637 1.00 0.00 C ATOM 511 C ASN A 33 -8.950 -11.089 -7.060 1.00 0.00 C ATOM 512 O ASN A 33 -7.996 -11.362 -6.330 1.00 0.00 O ATOM 513 CB ASN A 33 -11.228 -11.742 -7.874 1.00 0.00 C ATOM 514 CG ASN A 33 -12.615 -12.261 -7.538 1.00 0.00 C ATOM 515 OD1 ASN A 33 -13.571 -12.015 -8.277 1.00 0.00 O ATOM 516 ND2 ASN A 33 -12.739 -12.990 -6.440 1.00 0.00 N ATOM 0 H ASN A 33 -11.023 -9.438 -6.381 1.00 0.00 H new ATOM 0 HA ASN A 33 -10.364 -12.301 -5.995 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -11.323 -10.843 -8.483 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -10.708 -12.484 -8.480 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -13.649 -13.370 -6.180 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -11.924 -13.172 -5.854 1.00 0.00 H new ATOM 523 N ASN A 34 -8.811 -10.485 -8.234 1.00 0.00 N ATOM 524 CA ASN A 34 -7.518 -10.003 -8.712 1.00 0.00 C ATOM 525 C ASN A 34 -7.512 -8.484 -8.641 1.00 0.00 C ATOM 526 O ASN A 34 -6.711 -7.802 -9.284 1.00 0.00 O ATOM 527 CB ASN A 34 -7.250 -10.469 -10.149 1.00 0.00 C ATOM 528 CG ASN A 34 -8.173 -9.823 -11.168 1.00 0.00 C ATOM 529 OD1 ASN A 34 -9.333 -9.522 -10.878 1.00 0.00 O ATOM 530 ND2 ASN A 34 -7.665 -9.607 -12.370 1.00 0.00 N ATOM 0 H ASN A 34 -9.584 -10.316 -8.878 1.00 0.00 H new ATOM 0 HA ASN A 34 -6.727 -10.411 -8.083 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -6.216 -10.244 -10.410 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -7.363 -11.552 -10.200 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -8.238 -9.177 -13.096 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -6.700 -9.870 -12.571 1.00 0.00 H new ATOM 537 N GLU A 35 -8.439 -7.973 -7.855 1.00 0.00 N ATOM 538 CA GLU A 35 -8.586 -6.548 -7.655 1.00 0.00 C ATOM 539 C GLU A 35 -7.723 -6.105 -6.484 1.00 0.00 C ATOM 540 O GLU A 35 -7.930 -6.532 -5.343 1.00 0.00 O ATOM 541 CB GLU A 35 -10.060 -6.214 -7.420 1.00 0.00 C ATOM 542 CG GLU A 35 -10.951 -6.701 -8.552 1.00 0.00 C ATOM 543 CD GLU A 35 -12.422 -6.429 -8.331 1.00 0.00 C ATOM 544 OE1 GLU A 35 -12.836 -5.257 -8.421 1.00 0.00 O ATOM 545 OE2 GLU A 35 -13.177 -7.397 -8.111 1.00 0.00 O ATOM 0 H GLU A 35 -9.112 -8.537 -7.337 1.00 0.00 H new ATOM 0 HA GLU A 35 -8.253 -6.011 -8.543 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -10.387 -6.665 -6.483 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -10.173 -5.135 -7.311 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -10.638 -6.222 -9.480 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -10.805 -7.773 -8.681 1.00 0.00 H new ATOM 552 N ILE A 36 -6.746 -5.267 -6.781 1.00 0.00 N ATOM 553 CA ILE A 36 -5.759 -4.863 -5.799 1.00 0.00 C ATOM 554 C ILE A 36 -6.036 -3.464 -5.270 1.00 0.00 C ATOM 555 O ILE A 36 -6.149 -2.496 -6.027 1.00 0.00 O ATOM 556 CB ILE A 36 -4.324 -4.928 -6.372 1.00 0.00 C ATOM 557 CG1 ILE A 36 -4.223 -4.153 -7.692 1.00 0.00 C ATOM 558 CG2 ILE A 36 -3.903 -6.378 -6.562 1.00 0.00 C ATOM 559 CD1 ILE A 36 -2.826 -4.121 -8.277 1.00 0.00 C ATOM 0 H ILE A 36 -6.616 -4.851 -7.703 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.836 -5.570 -4.973 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.646 -4.458 -5.660 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.901 -4.601 -8.418 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -4.562 -3.130 -7.529 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.891 -6.413 -6.966 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -3.929 -6.893 -5.602 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.587 -6.868 -7.255 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.835 -3.556 -9.209 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -2.146 -3.645 -7.570 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.490 -5.139 -8.474 1.00 0.00 H new ATOM 571 N ASN A 37 -6.163 -3.373 -3.960 1.00 0.00 N ATOM 572 CA ASN A 37 -6.350 -2.103 -3.291 1.00 0.00 C ATOM 573 C ASN A 37 -5.012 -1.548 -2.839 1.00 0.00 C ATOM 574 O ASN A 37 -4.363 -2.112 -1.957 1.00 0.00 O ATOM 575 CB ASN A 37 -7.269 -2.257 -2.077 1.00 0.00 C ATOM 576 CG ASN A 37 -7.418 -0.965 -1.289 1.00 0.00 C ATOM 577 OD1 ASN A 37 -7.483 -0.980 -0.060 1.00 0.00 O ATOM 578 ND2 ASN A 37 -7.487 0.160 -1.988 1.00 0.00 N ATOM 0 H ASN A 37 -6.139 -4.176 -3.332 1.00 0.00 H new ATOM 0 HA ASN A 37 -6.812 -1.414 -3.999 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -8.252 -2.591 -2.410 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -6.873 -3.034 -1.423 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -7.598 1.053 -1.508 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -7.429 0.132 -3.006 1.00 0.00 H new ATOM 585 N ILE A 38 -4.592 -0.460 -3.457 1.00 0.00 N ATOM 586 CA ILE A 38 -3.427 0.262 -2.997 1.00 0.00 C ATOM 587 C ILE A 38 -3.807 1.029 -1.739 1.00 0.00 C ATOM 588 O ILE A 38 -4.380 2.122 -1.804 1.00 0.00 O ATOM 589 CB ILE A 38 -2.878 1.226 -4.070 1.00 0.00 C ATOM 590 CG1 ILE A 38 -2.485 0.449 -5.329 1.00 0.00 C ATOM 591 CG2 ILE A 38 -1.684 1.995 -3.524 1.00 0.00 C ATOM 592 CD1 ILE A 38 -1.984 1.325 -6.458 1.00 0.00 C ATOM 0 H ILE A 38 -5.043 -0.059 -4.279 1.00 0.00 H new ATOM 0 HA ILE A 38 -2.632 -0.453 -2.785 1.00 0.00 H new ATOM 0 HB ILE A 38 -3.659 1.940 -4.334 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -1.711 -0.274 -5.071 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -3.347 -0.119 -5.678 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -1.306 2.672 -4.290 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -1.991 2.571 -2.651 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -0.899 1.294 -3.239 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -1.726 0.702 -7.314 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -2.764 2.031 -6.745 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -1.102 1.874 -6.129 1.00 0.00 H new ATOM 604 N ASP A 39 -3.533 0.421 -0.597 1.00 0.00 N ATOM 605 CA ASP A 39 -3.999 0.951 0.673 1.00 0.00 C ATOM 606 C ASP A 39 -3.049 1.993 1.228 1.00 0.00 C ATOM 607 O ASP A 39 -3.464 2.911 1.932 1.00 0.00 O ATOM 608 CB ASP A 39 -4.198 -0.169 1.694 1.00 0.00 C ATOM 609 CG ASP A 39 -4.647 0.368 3.039 1.00 0.00 C ATOM 610 OD1 ASP A 39 -5.731 0.988 3.106 1.00 0.00 O ATOM 611 OD2 ASP A 39 -3.917 0.174 4.035 1.00 0.00 O ATOM 0 H ASP A 39 -2.990 -0.440 -0.523 1.00 0.00 H new ATOM 0 HA ASP A 39 -4.959 1.432 0.485 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -4.939 -0.875 1.319 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -3.265 -0.720 1.816 1.00 0.00 H new ATOM 616 N HIS A 40 -1.775 1.858 0.910 1.00 0.00 N ATOM 617 CA HIS A 40 -0.780 2.780 1.421 1.00 0.00 C ATOM 618 C HIS A 40 0.290 3.080 0.379 1.00 0.00 C ATOM 619 O HIS A 40 0.795 2.185 -0.299 1.00 0.00 O ATOM 620 CB HIS A 40 -0.140 2.220 2.700 1.00 0.00 C ATOM 621 CG HIS A 40 1.017 3.030 3.205 1.00 0.00 C ATOM 622 ND1 HIS A 40 0.867 4.178 3.951 1.00 0.00 N ATOM 623 CD2 HIS A 40 2.347 2.860 3.046 1.00 0.00 C ATOM 624 CE1 HIS A 40 2.058 4.681 4.222 1.00 0.00 C ATOM 625 NE2 HIS A 40 2.974 3.899 3.683 1.00 0.00 N ATOM 0 H HIS A 40 -1.407 1.124 0.305 1.00 0.00 H new ATOM 0 HA HIS A 40 -1.284 3.717 1.659 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -0.899 2.164 3.480 1.00 0.00 H new ATOM 0 HB3 HIS A 40 0.198 1.201 2.510 1.00 0.00 H new ATOM 0 HD2 HIS A 40 2.829 2.053 2.514 1.00 0.00 H new ATOM 0 HE1 HIS A 40 2.250 5.580 4.789 1.00 0.00 H new ATOM 0 HE2 HIS A 40 3.982 4.044 3.732 1.00 0.00 H new ATOM 634 N THR A 41 0.605 4.357 0.249 1.00 0.00 N ATOM 635 CA THR A 41 1.724 4.806 -0.558 1.00 0.00 C ATOM 636 C THR A 41 2.356 6.021 0.108 1.00 0.00 C ATOM 637 O THR A 41 1.782 7.111 0.097 1.00 0.00 O ATOM 638 CB THR A 41 1.286 5.167 -1.990 1.00 0.00 C ATOM 639 OG1 THR A 41 0.534 4.084 -2.549 1.00 0.00 O ATOM 640 CG2 THR A 41 2.494 5.458 -2.871 1.00 0.00 C ATOM 0 H THR A 41 0.090 5.113 0.701 1.00 0.00 H new ATOM 0 HA THR A 41 2.445 3.992 -0.630 1.00 0.00 H new ATOM 0 HB THR A 41 0.667 6.063 -1.946 1.00 0.00 H new ATOM 0 HG1 THR A 41 0.255 4.315 -3.459 1.00 0.00 H new ATOM 0 HG21 THR A 41 2.158 5.710 -3.877 1.00 0.00 H new ATOM 0 HG22 THR A 41 3.055 6.295 -2.455 1.00 0.00 H new ATOM 0 HG23 THR A 41 3.135 4.577 -2.913 1.00 0.00 H new ATOM 648 N GLY A 42 3.505 5.820 0.726 1.00 0.00 N ATOM 649 CA GLY A 42 4.147 6.895 1.446 1.00 0.00 C ATOM 650 C GLY A 42 5.513 7.213 0.892 1.00 0.00 C ATOM 651 O GLY A 42 6.268 6.310 0.536 1.00 0.00 O ATOM 0 H GLY A 42 4.006 4.931 0.742 1.00 0.00 H new ATOM 0 HA2 GLY A 42 3.521 7.786 1.400 1.00 0.00 H new ATOM 0 HA3 GLY A 42 4.237 6.623 2.498 1.00 0.00 H new ATOM 655 N VAL A 43 5.815 8.498 0.792 1.00 0.00 N ATOM 656 CA VAL A 43 7.114 8.954 0.322 1.00 0.00 C ATOM 657 C VAL A 43 7.633 10.050 1.239 1.00 0.00 C ATOM 658 O VAL A 43 6.970 11.071 1.423 1.00 0.00 O ATOM 659 CB VAL A 43 7.047 9.506 -1.124 1.00 0.00 C ATOM 660 CG1 VAL A 43 8.431 9.912 -1.611 1.00 0.00 C ATOM 661 CG2 VAL A 43 6.428 8.487 -2.070 1.00 0.00 C ATOM 0 H VAL A 43 5.170 9.251 1.033 1.00 0.00 H new ATOM 0 HA VAL A 43 7.784 8.094 0.330 1.00 0.00 H new ATOM 0 HB VAL A 43 6.411 10.391 -1.115 1.00 0.00 H new ATOM 0 HG11 VAL A 43 8.360 10.297 -2.628 1.00 0.00 H new ATOM 0 HG12 VAL A 43 8.834 10.686 -0.958 1.00 0.00 H new ATOM 0 HG13 VAL A 43 9.091 9.045 -1.596 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.393 8.900 -3.078 1.00 0.00 H new ATOM 0 HG22 VAL A 43 7.030 7.579 -2.071 1.00 0.00 H new ATOM 0 HG23 VAL A 43 5.416 8.251 -1.739 1.00 0.00 H new ATOM 671 N SER A 44 8.799 9.831 1.831 1.00 0.00 N ATOM 672 CA SER A 44 9.423 10.844 2.662 1.00 0.00 C ATOM 673 C SER A 44 9.756 12.063 1.810 1.00 0.00 C ATOM 674 O SER A 44 10.411 11.950 0.767 1.00 0.00 O ATOM 675 CB SER A 44 10.686 10.288 3.310 1.00 0.00 C ATOM 676 OG SER A 44 10.440 9.024 3.910 1.00 0.00 O ATOM 0 H SER A 44 9.328 8.963 1.750 1.00 0.00 H new ATOM 0 HA SER A 44 8.733 11.138 3.453 1.00 0.00 H new ATOM 0 HB2 SER A 44 11.471 10.191 2.560 1.00 0.00 H new ATOM 0 HB3 SER A 44 11.050 10.987 4.063 1.00 0.00 H new ATOM 0 HG SER A 44 11.266 8.689 4.317 1.00 0.00 H new ATOM 766 N VAL A 52 11.659 7.824 -7.992 1.00 0.00 N ATOM 767 CA VAL A 52 11.311 6.687 -7.146 1.00 0.00 C ATOM 768 C VAL A 52 9.823 6.350 -7.246 1.00 0.00 C ATOM 769 O VAL A 52 9.456 5.247 -7.659 1.00 0.00 O ATOM 770 CB VAL A 52 11.674 6.963 -5.671 1.00 0.00 C ATOM 771 CG1 VAL A 52 11.171 5.856 -4.757 1.00 0.00 C ATOM 772 CG2 VAL A 52 13.172 7.125 -5.521 1.00 0.00 C ATOM 0 HA VAL A 52 11.888 5.835 -7.505 1.00 0.00 H new ATOM 0 HB VAL A 52 11.183 7.890 -5.375 1.00 0.00 H new ATOM 0 HG11 VAL A 52 11.444 6.083 -3.726 1.00 0.00 H new ATOM 0 HG12 VAL A 52 10.086 5.783 -4.837 1.00 0.00 H new ATOM 0 HG13 VAL A 52 11.622 4.908 -5.051 1.00 0.00 H new ATOM 0 HG21 VAL A 52 13.414 7.319 -4.476 1.00 0.00 H new ATOM 0 HG22 VAL A 52 13.671 6.212 -5.846 1.00 0.00 H new ATOM 0 HG23 VAL A 52 13.511 7.961 -6.133 1.00 0.00 H new ATOM 782 N GLY A 53 8.978 7.315 -6.893 1.00 0.00 N ATOM 783 CA GLY A 53 7.542 7.091 -6.895 1.00 0.00 C ATOM 784 C GLY A 53 7.010 6.778 -8.277 1.00 0.00 C ATOM 785 O GLY A 53 6.142 5.920 -8.437 1.00 0.00 O ATOM 0 H GLY A 53 9.263 8.251 -6.605 1.00 0.00 H new ATOM 0 HA2 GLY A 53 7.304 6.267 -6.222 1.00 0.00 H new ATOM 0 HA3 GLY A 53 7.038 7.976 -6.506 1.00 0.00 H new ATOM 789 N LYS A 54 7.552 7.458 -9.280 1.00 0.00 N ATOM 790 CA LYS A 54 7.115 7.273 -10.659 1.00 0.00 C ATOM 791 C LYS A 54 7.407 5.851 -11.136 1.00 0.00 C ATOM 792 O LYS A 54 6.573 5.220 -11.790 1.00 0.00 O ATOM 793 CB LYS A 54 7.802 8.295 -11.572 1.00 0.00 C ATOM 794 CG LYS A 54 7.340 8.250 -13.020 1.00 0.00 C ATOM 795 CD LYS A 54 5.840 8.464 -13.131 1.00 0.00 C ATOM 796 CE LYS A 54 5.396 8.524 -14.581 1.00 0.00 C ATOM 797 NZ LYS A 54 3.917 8.593 -14.706 1.00 0.00 N ATOM 0 H LYS A 54 8.297 8.145 -9.164 1.00 0.00 H new ATOM 0 HA LYS A 54 6.037 7.430 -10.702 1.00 0.00 H new ATOM 0 HB2 LYS A 54 7.624 9.295 -11.177 1.00 0.00 H new ATOM 0 HB3 LYS A 54 8.879 8.127 -11.541 1.00 0.00 H new ATOM 0 HG2 LYS A 54 7.862 9.016 -13.594 1.00 0.00 H new ATOM 0 HG3 LYS A 54 7.605 7.288 -13.458 1.00 0.00 H new ATOM 0 HD2 LYS A 54 5.317 7.655 -12.622 1.00 0.00 H new ATOM 0 HD3 LYS A 54 5.564 9.390 -12.626 1.00 0.00 H new ATOM 0 HE2 LYS A 54 5.842 9.395 -15.061 1.00 0.00 H new ATOM 0 HE3 LYS A 54 5.764 7.645 -15.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 3.666 9.089 -15.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 3.525 7.630 -14.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 3.524 9.108 -13.893 1.00 0.00 H new ATOM 811 N LYS A 55 8.582 5.345 -10.786 1.00 0.00 N ATOM 812 CA LYS A 55 8.983 4.008 -11.193 1.00 0.00 C ATOM 813 C LYS A 55 8.179 2.953 -10.437 1.00 0.00 C ATOM 814 O LYS A 55 7.860 1.897 -10.986 1.00 0.00 O ATOM 815 CB LYS A 55 10.485 3.807 -10.969 1.00 0.00 C ATOM 816 CG LYS A 55 11.014 2.502 -11.547 1.00 0.00 C ATOM 817 CD LYS A 55 12.530 2.416 -11.461 1.00 0.00 C ATOM 818 CE LYS A 55 13.025 2.419 -10.024 1.00 0.00 C ATOM 819 NZ LYS A 55 14.486 2.153 -9.949 1.00 0.00 N ATOM 0 H LYS A 55 9.272 5.841 -10.222 1.00 0.00 H new ATOM 0 HA LYS A 55 8.777 3.896 -12.257 1.00 0.00 H new ATOM 0 HB2 LYS A 55 11.026 4.640 -11.418 1.00 0.00 H new ATOM 0 HB3 LYS A 55 10.692 3.832 -9.899 1.00 0.00 H new ATOM 0 HG2 LYS A 55 10.572 1.662 -11.011 1.00 0.00 H new ATOM 0 HG3 LYS A 55 10.704 2.414 -12.588 1.00 0.00 H new ATOM 0 HD2 LYS A 55 12.869 1.507 -11.958 1.00 0.00 H new ATOM 0 HD3 LYS A 55 12.971 3.257 -11.997 1.00 0.00 H new ATOM 0 HE2 LYS A 55 12.806 3.383 -9.565 1.00 0.00 H new ATOM 0 HE3 LYS A 55 12.487 1.664 -9.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 14.790 2.162 -8.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 14.691 1.222 -10.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 15.000 2.888 -10.475 1.00 0.00 H new ATOM 833 N LEU A 56 7.842 3.249 -9.185 1.00 0.00 N ATOM 834 CA LEU A 56 7.023 2.347 -8.382 1.00 0.00 C ATOM 835 C LEU A 56 5.644 2.160 -9.006 1.00 0.00 C ATOM 836 O LEU A 56 5.204 1.031 -9.230 1.00 0.00 O ATOM 837 CB LEU A 56 6.879 2.871 -6.951 1.00 0.00 C ATOM 838 CG LEU A 56 8.153 2.819 -6.106 1.00 0.00 C ATOM 839 CD1 LEU A 56 7.905 3.424 -4.732 1.00 0.00 C ATOM 840 CD2 LEU A 56 8.643 1.384 -5.973 1.00 0.00 C ATOM 0 H LEU A 56 8.123 4.104 -8.706 1.00 0.00 H new ATOM 0 HA LEU A 56 7.527 1.381 -8.354 1.00 0.00 H new ATOM 0 HB2 LEU A 56 6.532 3.903 -6.993 1.00 0.00 H new ATOM 0 HB3 LEU A 56 6.104 2.294 -6.446 1.00 0.00 H new ATOM 0 HG LEU A 56 8.924 3.404 -6.607 1.00 0.00 H new ATOM 0 HD11 LEU A 56 8.822 3.379 -4.144 1.00 0.00 H new ATOM 0 HD12 LEU A 56 7.595 4.463 -4.843 1.00 0.00 H new ATOM 0 HD13 LEU A 56 7.120 2.864 -4.224 1.00 0.00 H new ATOM 0 HD21 LEU A 56 9.550 1.364 -5.369 1.00 0.00 H new ATOM 0 HD22 LEU A 56 7.874 0.780 -5.492 1.00 0.00 H new ATOM 0 HD23 LEU A 56 8.857 0.979 -6.962 1.00 0.00 H new ATOM 852 N LEU A 57 4.970 3.272 -9.296 1.00 0.00 N ATOM 853 CA LEU A 57 3.654 3.223 -9.926 1.00 0.00 C ATOM 854 C LEU A 57 3.731 2.558 -11.293 1.00 0.00 C ATOM 855 O LEU A 57 2.841 1.796 -11.668 1.00 0.00 O ATOM 856 CB LEU A 57 3.053 4.624 -10.063 1.00 0.00 C ATOM 857 CG LEU A 57 2.240 5.113 -8.857 1.00 0.00 C ATOM 858 CD1 LEU A 57 3.116 5.262 -7.622 1.00 0.00 C ATOM 859 CD2 LEU A 57 1.558 6.429 -9.189 1.00 0.00 C ATOM 0 H LEU A 57 5.313 4.214 -9.105 1.00 0.00 H new ATOM 0 HA LEU A 57 3.006 2.630 -9.281 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.862 5.332 -10.245 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.411 4.641 -10.943 1.00 0.00 H new ATOM 0 HG LEU A 57 1.479 4.365 -8.634 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.510 5.610 -6.786 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.560 4.298 -7.372 1.00 0.00 H new ATOM 0 HD13 LEU A 57 3.907 5.985 -7.822 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.983 6.768 -8.327 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.311 7.176 -9.440 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.889 6.288 -10.038 1.00 0.00 H new ATOM 871 N LYS A 58 4.808 2.837 -12.024 1.00 0.00 N ATOM 872 CA LYS A 58 5.014 2.242 -13.337 1.00 0.00 C ATOM 873 C LYS A 58 4.996 0.721 -13.234 1.00 0.00 C ATOM 874 O LYS A 58 4.342 0.046 -14.024 1.00 0.00 O ATOM 875 CB LYS A 58 6.347 2.695 -13.943 1.00 0.00 C ATOM 876 CG LYS A 58 6.528 2.270 -15.394 1.00 0.00 C ATOM 877 CD LYS A 58 7.870 1.590 -15.629 1.00 0.00 C ATOM 878 CE LYS A 58 7.962 0.262 -14.892 1.00 0.00 C ATOM 879 NZ LYS A 58 9.188 -0.498 -15.250 1.00 0.00 N ATOM 0 H LYS A 58 5.550 3.471 -11.727 1.00 0.00 H new ATOM 0 HA LYS A 58 4.204 2.574 -13.986 1.00 0.00 H new ATOM 0 HB2 LYS A 58 6.416 3.781 -13.879 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.165 2.288 -13.348 1.00 0.00 H new ATOM 0 HG2 LYS A 58 5.724 1.590 -15.675 1.00 0.00 H new ATOM 0 HG3 LYS A 58 6.447 3.144 -16.040 1.00 0.00 H new ATOM 0 HD2 LYS A 58 8.013 1.425 -16.697 1.00 0.00 H new ATOM 0 HD3 LYS A 58 8.674 2.247 -15.298 1.00 0.00 H new ATOM 0 HE2 LYS A 58 7.951 0.444 -13.817 1.00 0.00 H new ATOM 0 HE3 LYS A 58 7.083 -0.341 -15.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 9.207 -1.395 -14.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 9.188 -0.696 -16.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 10.028 0.064 -15.006 1.00 0.00 H new ATOM 893 N ALA A 59 5.712 0.196 -12.245 1.00 0.00 N ATOM 894 CA ALA A 59 5.809 -1.245 -12.047 1.00 0.00 C ATOM 895 C ALA A 59 4.452 -1.841 -11.697 1.00 0.00 C ATOM 896 O ALA A 59 4.072 -2.890 -12.217 1.00 0.00 O ATOM 897 CB ALA A 59 6.826 -1.566 -10.961 1.00 0.00 C ATOM 0 H ALA A 59 6.235 0.749 -11.566 1.00 0.00 H new ATOM 0 HA ALA A 59 6.144 -1.693 -12.983 1.00 0.00 H new ATOM 0 HB1 ALA A 59 6.886 -2.646 -10.826 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.804 -1.182 -11.253 1.00 0.00 H new ATOM 0 HB3 ALA A 59 6.518 -1.100 -10.025 1.00 0.00 H new ATOM 903 N VAL A 60 3.721 -1.157 -10.823 1.00 0.00 N ATOM 904 CA VAL A 60 2.398 -1.609 -10.411 1.00 0.00 C ATOM 905 C VAL A 60 1.444 -1.659 -11.603 1.00 0.00 C ATOM 906 O VAL A 60 0.823 -2.688 -11.865 1.00 0.00 O ATOM 907 CB VAL A 60 1.800 -0.701 -9.311 1.00 0.00 C ATOM 908 CG1 VAL A 60 0.414 -1.181 -8.903 1.00 0.00 C ATOM 909 CG2 VAL A 60 2.720 -0.648 -8.102 1.00 0.00 C ATOM 0 H VAL A 60 4.023 -0.286 -10.386 1.00 0.00 H new ATOM 0 HA VAL A 60 2.518 -2.612 -10.003 1.00 0.00 H new ATOM 0 HB VAL A 60 1.706 0.305 -9.719 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.015 -0.526 -8.128 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.247 -1.163 -9.769 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.480 -2.199 -8.519 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.282 -0.004 -7.339 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.849 -1.652 -7.699 1.00 0.00 H new ATOM 0 HG23 VAL A 60 3.690 -0.249 -8.400 1.00 0.00 H new ATOM 919 N VAL A 61 1.358 -0.554 -12.336 1.00 0.00 N ATOM 920 CA VAL A 61 0.457 -0.456 -13.480 1.00 0.00 C ATOM 921 C VAL A 61 0.860 -1.425 -14.590 1.00 0.00 C ATOM 922 O VAL A 61 0.007 -2.059 -15.211 1.00 0.00 O ATOM 923 CB VAL A 61 0.412 0.986 -14.038 1.00 0.00 C ATOM 924 CG1 VAL A 61 -0.475 1.071 -15.273 1.00 0.00 C ATOM 925 CG2 VAL A 61 -0.072 1.950 -12.966 1.00 0.00 C ATOM 0 H VAL A 61 1.903 0.289 -12.158 1.00 0.00 H new ATOM 0 HA VAL A 61 -0.538 -0.725 -13.126 1.00 0.00 H new ATOM 0 HB VAL A 61 1.423 1.267 -14.333 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.487 2.096 -15.642 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -0.085 0.411 -16.047 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -1.489 0.767 -15.014 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.099 2.961 -13.372 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.072 1.662 -12.642 1.00 0.00 H new ATOM 0 HG23 VAL A 61 0.608 1.919 -12.115 1.00 0.00 H new ATOM 935 N GLU A 62 2.159 -1.551 -14.821 1.00 0.00 N ATOM 936 CA GLU A 62 2.672 -2.464 -15.836 1.00 0.00 C ATOM 937 C GLU A 62 2.327 -3.907 -15.477 1.00 0.00 C ATOM 938 O GLU A 62 1.827 -4.663 -16.309 1.00 0.00 O ATOM 939 CB GLU A 62 4.187 -2.298 -15.977 1.00 0.00 C ATOM 940 CG GLU A 62 4.811 -3.180 -17.044 1.00 0.00 C ATOM 941 CD GLU A 62 6.286 -2.906 -17.221 1.00 0.00 C ATOM 942 OE1 GLU A 62 7.093 -3.431 -16.428 1.00 0.00 O ATOM 943 OE2 GLU A 62 6.642 -2.149 -18.149 1.00 0.00 O ATOM 0 H GLU A 62 2.879 -1.032 -14.319 1.00 0.00 H new ATOM 0 HA GLU A 62 2.203 -2.224 -16.790 1.00 0.00 H new ATOM 0 HB2 GLU A 62 4.408 -1.256 -16.208 1.00 0.00 H new ATOM 0 HB3 GLU A 62 4.657 -2.518 -15.018 1.00 0.00 H new ATOM 0 HG2 GLU A 62 4.667 -4.227 -16.777 1.00 0.00 H new ATOM 0 HG3 GLU A 62 4.297 -3.019 -17.992 1.00 0.00 H new ATOM 950 N HIS A 63 2.572 -4.273 -14.224 1.00 0.00 N ATOM 951 CA HIS A 63 2.264 -5.615 -13.751 1.00 0.00 C ATOM 952 C HIS A 63 0.752 -5.834 -13.741 1.00 0.00 C ATOM 953 O HIS A 63 0.270 -6.957 -13.929 1.00 0.00 O ATOM 954 CB HIS A 63 2.850 -5.831 -12.353 1.00 0.00 C ATOM 955 CG HIS A 63 2.852 -7.262 -11.910 1.00 0.00 C ATOM 956 ND1 HIS A 63 3.921 -8.106 -12.115 1.00 0.00 N ATOM 957 CD2 HIS A 63 1.911 -7.997 -11.271 1.00 0.00 C ATOM 958 CE1 HIS A 63 3.636 -9.299 -11.625 1.00 0.00 C ATOM 959 NE2 HIS A 63 2.422 -9.258 -11.107 1.00 0.00 N ATOM 0 H HIS A 63 2.982 -3.660 -13.520 1.00 0.00 H new ATOM 0 HA HIS A 63 2.714 -6.341 -14.428 1.00 0.00 H new ATOM 0 HB2 HIS A 63 3.873 -5.454 -12.336 1.00 0.00 H new ATOM 0 HB3 HIS A 63 2.281 -5.240 -11.636 1.00 0.00 H new ATOM 0 HD2 HIS A 63 0.939 -7.653 -10.950 1.00 0.00 H new ATOM 0 HE1 HIS A 63 4.286 -10.162 -11.645 1.00 0.00 H new ATOM 0 HE2 HIS A 63 1.942 -10.038 -10.658 1.00 0.00 H new ATOM 968 N ALA A 64 0.012 -4.752 -13.524 1.00 0.00 N ATOM 969 CA ALA A 64 -1.441 -4.791 -13.576 1.00 0.00 C ATOM 970 C ALA A 64 -1.913 -5.101 -14.988 1.00 0.00 C ATOM 971 O ALA A 64 -2.712 -6.002 -15.188 1.00 0.00 O ATOM 972 CB ALA A 64 -2.036 -3.479 -13.093 1.00 0.00 C ATOM 0 H ALA A 64 0.399 -3.833 -13.309 1.00 0.00 H new ATOM 0 HA ALA A 64 -1.784 -5.584 -12.912 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -3.124 -3.533 -13.141 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.727 -3.296 -12.064 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.685 -2.665 -13.727 1.00 0.00 H new ATOM 978 N ARG A 65 -1.399 -4.363 -15.966 1.00 0.00 N ATOM 979 CA ARG A 65 -1.749 -4.598 -17.363 1.00 0.00 C ATOM 980 C ARG A 65 -1.327 -6.003 -17.789 1.00 0.00 C ATOM 981 O ARG A 65 -2.050 -6.681 -18.519 1.00 0.00 O ATOM 982 CB ARG A 65 -1.103 -3.527 -18.259 1.00 0.00 C ATOM 983 CG ARG A 65 -1.390 -3.692 -19.748 1.00 0.00 C ATOM 984 CD ARG A 65 -0.350 -4.569 -20.433 1.00 0.00 C ATOM 985 NE ARG A 65 -0.746 -4.950 -21.786 1.00 0.00 N ATOM 986 CZ ARG A 65 0.114 -5.215 -22.768 1.00 0.00 C ATOM 987 NH1 ARG A 65 1.419 -5.056 -22.578 1.00 0.00 N ATOM 988 NH2 ARG A 65 -0.337 -5.624 -23.945 1.00 0.00 N ATOM 0 H ARG A 65 -0.740 -3.599 -15.818 1.00 0.00 H new ATOM 0 HA ARG A 65 -2.831 -4.526 -17.474 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -1.454 -2.545 -17.941 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -0.024 -3.545 -18.105 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -2.379 -4.131 -19.881 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -1.409 -2.712 -20.225 1.00 0.00 H new ATOM 0 HD2 ARG A 65 0.601 -4.037 -20.472 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -0.188 -5.468 -19.838 1.00 0.00 H new ATOM 0 HE ARG A 65 -1.743 -5.017 -21.992 1.00 0.00 H new ATOM 0 HH11 ARG A 65 1.767 -4.729 -21.677 1.00 0.00 H new ATOM 0 HH12 ARG A 65 2.073 -5.260 -23.334 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -1.340 -5.735 -24.096 1.00 0.00 H new ATOM 0 HH22 ARG A 65 0.318 -5.828 -24.699 1.00 0.00 H new ATOM 1002 N GLU A 66 -0.165 -6.433 -17.303 1.00 0.00 N ATOM 1003 CA GLU A 66 0.374 -7.757 -17.606 1.00 0.00 C ATOM 1004 C GLU A 66 -0.644 -8.860 -17.310 1.00 0.00 C ATOM 1005 O GLU A 66 -0.849 -9.762 -18.125 1.00 0.00 O ATOM 1006 CB GLU A 66 1.646 -7.994 -16.785 1.00 0.00 C ATOM 1007 CG GLU A 66 2.285 -9.355 -17.017 1.00 0.00 C ATOM 1008 CD GLU A 66 3.419 -9.636 -16.051 1.00 0.00 C ATOM 1009 OE1 GLU A 66 3.149 -10.150 -14.943 1.00 0.00 O ATOM 1010 OE2 GLU A 66 4.584 -9.350 -16.391 1.00 0.00 O ATOM 0 H GLU A 66 0.429 -5.875 -16.689 1.00 0.00 H new ATOM 0 HA GLU A 66 0.606 -7.792 -18.670 1.00 0.00 H new ATOM 0 HB2 GLU A 66 2.372 -7.217 -17.025 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.408 -7.891 -15.726 1.00 0.00 H new ATOM 0 HG2 GLU A 66 1.526 -10.131 -16.917 1.00 0.00 H new ATOM 0 HG3 GLU A 66 2.661 -9.407 -18.039 1.00 0.00 H new ATOM 1017 N ASN A 67 -1.294 -8.777 -16.154 1.00 0.00 N ATOM 1018 CA ASN A 67 -2.209 -9.831 -15.715 1.00 0.00 C ATOM 1019 C ASN A 67 -3.660 -9.367 -15.763 1.00 0.00 C ATOM 1020 O ASN A 67 -4.560 -10.086 -15.328 1.00 0.00 O ATOM 1021 CB ASN A 67 -1.864 -10.271 -14.289 1.00 0.00 C ATOM 1022 CG ASN A 67 -0.473 -10.862 -14.186 1.00 0.00 C ATOM 1023 OD1 ASN A 67 -0.287 -12.070 -14.336 1.00 0.00 O ATOM 1024 ND2 ASN A 67 0.514 -10.014 -13.930 1.00 0.00 N ATOM 0 H ASN A 67 -1.207 -7.995 -15.505 1.00 0.00 H new ATOM 0 HA ASN A 67 -2.093 -10.672 -16.399 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -1.942 -9.415 -13.619 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -2.594 -11.007 -13.952 1.00 0.00 H new ATOM 0 HD21 ASN A 67 1.472 -10.355 -13.850 1.00 0.00 H new ATOM 0 HD22 ASN A 67 0.315 -9.020 -13.813 1.00 0.00 H new ATOM 1031 N ASN A 68 -3.872 -8.173 -16.307 1.00 0.00 N ATOM 1032 CA ASN A 68 -5.187 -7.528 -16.316 1.00 0.00 C ATOM 1033 C ASN A 68 -5.757 -7.479 -14.902 1.00 0.00 C ATOM 1034 O ASN A 68 -6.741 -8.144 -14.578 1.00 0.00 O ATOM 1035 CB ASN A 68 -6.155 -8.227 -17.280 1.00 0.00 C ATOM 1036 CG ASN A 68 -7.458 -7.463 -17.457 1.00 0.00 C ATOM 1037 OD1 ASN A 68 -8.451 -7.735 -16.783 1.00 0.00 O ATOM 1038 ND2 ASN A 68 -7.459 -6.490 -18.357 1.00 0.00 N ATOM 0 H ASN A 68 -3.139 -7.623 -16.755 1.00 0.00 H new ATOM 0 HA ASN A 68 -5.061 -6.507 -16.676 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -5.673 -8.346 -18.250 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -6.373 -9.228 -16.908 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -8.303 -5.937 -18.510 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -6.616 -6.294 -18.897 1.00 0.00 H new ATOM 1045 N LEU A 69 -5.087 -6.718 -14.051 1.00 0.00 N ATOM 1046 CA LEU A 69 -5.495 -6.565 -12.664 1.00 0.00 C ATOM 1047 C LEU A 69 -6.355 -5.322 -12.508 1.00 0.00 C ATOM 1048 O LEU A 69 -6.205 -4.357 -13.260 1.00 0.00 O ATOM 1049 CB LEU A 69 -4.269 -6.465 -11.750 1.00 0.00 C ATOM 1050 CG LEU A 69 -3.332 -7.673 -11.774 1.00 0.00 C ATOM 1051 CD1 LEU A 69 -2.116 -7.421 -10.895 1.00 0.00 C ATOM 1052 CD2 LEU A 69 -4.065 -8.927 -11.322 1.00 0.00 C ATOM 0 H LEU A 69 -4.250 -6.192 -14.301 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.075 -7.442 -12.377 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -3.699 -5.579 -12.031 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -4.612 -6.313 -10.726 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.992 -7.824 -12.799 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -1.460 -8.291 -10.924 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.577 -6.547 -11.262 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -2.439 -7.244 -9.869 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.382 -9.776 -11.346 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -4.434 -8.786 -10.306 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.905 -9.118 -11.990 1.00 0.00 H new ATOM 1064 N LYS A 70 -7.253 -5.348 -11.539 1.00 0.00 N ATOM 1065 CA LYS A 70 -8.143 -4.222 -11.303 1.00 0.00 C ATOM 1066 C LYS A 70 -7.646 -3.416 -10.112 1.00 0.00 C ATOM 1067 O LYS A 70 -7.604 -3.918 -8.992 1.00 0.00 O ATOM 1068 CB LYS A 70 -9.571 -4.719 -11.064 1.00 0.00 C ATOM 1069 CG LYS A 70 -10.108 -5.590 -12.193 1.00 0.00 C ATOM 1070 CD LYS A 70 -11.574 -5.948 -11.985 1.00 0.00 C ATOM 1071 CE LYS A 70 -12.466 -4.723 -12.099 1.00 0.00 C ATOM 1072 NZ LYS A 70 -13.908 -5.061 -11.963 1.00 0.00 N ATOM 0 H LYS A 70 -7.386 -6.134 -10.903 1.00 0.00 H new ATOM 0 HA LYS A 70 -8.149 -3.578 -12.182 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -9.599 -5.286 -10.134 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -10.229 -3.860 -10.934 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -9.993 -5.066 -13.142 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -9.517 -6.503 -12.260 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -11.877 -6.690 -12.723 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -11.703 -6.404 -11.003 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -12.190 -4.002 -11.329 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -12.297 -4.241 -13.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -14.477 -4.195 -12.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -14.180 -5.729 -12.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -14.076 -5.497 -11.034 1.00 0.00 H new ATOM 1086 N ILE A 71 -7.258 -2.174 -10.358 1.00 0.00 N ATOM 1087 CA ILE A 71 -6.643 -1.355 -9.325 1.00 0.00 C ATOM 1088 C ILE A 71 -7.643 -0.396 -8.685 1.00 0.00 C ATOM 1089 O ILE A 71 -8.399 0.290 -9.377 1.00 0.00 O ATOM 1090 CB ILE A 71 -5.455 -0.538 -9.884 1.00 0.00 C ATOM 1091 CG1 ILE A 71 -4.400 -1.468 -10.486 1.00 0.00 C ATOM 1092 CG2 ILE A 71 -4.839 0.326 -8.790 1.00 0.00 C ATOM 1093 CD1 ILE A 71 -3.177 -0.740 -11.005 1.00 0.00 C ATOM 0 H ILE A 71 -7.358 -1.712 -11.262 1.00 0.00 H new ATOM 0 HA ILE A 71 -6.282 -2.047 -8.564 1.00 0.00 H new ATOM 0 HB ILE A 71 -5.829 0.116 -10.672 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -4.090 -2.190 -9.730 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -4.849 -2.034 -11.302 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -4.005 0.894 -9.201 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -5.591 1.014 -8.403 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -4.481 -0.311 -7.982 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -2.472 -1.462 -11.417 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -3.475 -0.038 -11.784 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -2.703 -0.196 -10.188 1.00 0.00 H new ATOM 1105 N ILE A 72 -7.643 -0.373 -7.359 1.00 0.00 N ATOM 1106 CA ILE A 72 -8.379 0.619 -6.589 1.00 0.00 C ATOM 1107 C ILE A 72 -7.478 1.157 -5.480 1.00 0.00 C ATOM 1108 O ILE A 72 -6.669 0.416 -4.930 1.00 0.00 O ATOM 1109 CB ILE A 72 -9.676 0.040 -5.975 1.00 0.00 C ATOM 1110 CG1 ILE A 72 -9.379 -1.257 -5.213 1.00 0.00 C ATOM 1111 CG2 ILE A 72 -10.723 -0.195 -7.057 1.00 0.00 C ATOM 1112 CD1 ILE A 72 -10.587 -1.850 -4.518 1.00 0.00 C ATOM 0 H ILE A 72 -7.131 -1.044 -6.786 1.00 0.00 H new ATOM 0 HA ILE A 72 -8.673 1.421 -7.266 1.00 0.00 H new ATOM 0 HB ILE A 72 -10.076 0.766 -5.267 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -8.976 -1.992 -5.910 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -8.604 -1.062 -4.471 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -11.628 -0.602 -6.606 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -10.956 0.749 -7.549 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -10.335 -0.900 -7.792 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -10.297 -2.765 -4.001 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -10.979 -1.134 -3.796 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -11.356 -2.078 -5.256 1.00 0.00 H new ATOM 1124 N ALA A 73 -7.598 2.435 -5.160 1.00 0.00 N ATOM 1125 CA ALA A 73 -6.725 3.044 -4.164 1.00 0.00 C ATOM 1126 C ALA A 73 -7.528 3.656 -3.026 1.00 0.00 C ATOM 1127 O ALA A 73 -8.606 4.210 -3.244 1.00 0.00 O ATOM 1128 CB ALA A 73 -5.833 4.091 -4.813 1.00 0.00 C ATOM 0 H ALA A 73 -8.285 3.068 -5.570 1.00 0.00 H new ATOM 0 HA ALA A 73 -6.096 2.260 -3.742 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -5.187 4.537 -4.057 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -5.221 3.621 -5.582 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -6.452 4.866 -5.265 1.00 0.00 H new ATOM 1134 N SER A 74 -7.007 3.536 -1.811 1.00 0.00 N ATOM 1135 CA SER A 74 -7.660 4.105 -0.640 1.00 0.00 C ATOM 1136 C SER A 74 -6.950 5.382 -0.188 1.00 0.00 C ATOM 1137 O SER A 74 -7.598 6.340 0.238 1.00 0.00 O ATOM 1138 CB SER A 74 -7.699 3.077 0.492 1.00 0.00 C ATOM 1139 OG SER A 74 -6.425 2.500 0.693 1.00 0.00 O ATOM 0 H SER A 74 -6.133 3.049 -1.611 1.00 0.00 H new ATOM 0 HA SER A 74 -8.684 4.368 -0.907 1.00 0.00 H new ATOM 0 HB2 SER A 74 -8.035 3.556 1.412 1.00 0.00 H new ATOM 0 HB3 SER A 74 -8.423 2.297 0.256 1.00 0.00 H new ATOM 0 HG SER A 74 -6.401 2.057 1.567 1.00 0.00 H new ATOM 1145 N CYS A 75 -5.621 5.385 -0.274 1.00 0.00 N ATOM 1146 CA CYS A 75 -4.844 6.591 -0.001 1.00 0.00 C ATOM 1147 C CYS A 75 -5.193 7.680 -1.005 1.00 0.00 C ATOM 1148 O CYS A 75 -4.997 7.504 -2.208 1.00 0.00 O ATOM 1149 CB CYS A 75 -3.342 6.304 -0.058 1.00 0.00 C ATOM 1150 SG CYS A 75 -2.659 5.617 1.466 1.00 0.00 S ATOM 0 H CYS A 75 -5.063 4.570 -0.529 1.00 0.00 H new ATOM 0 HA CYS A 75 -5.094 6.930 1.004 1.00 0.00 H new ATOM 0 HB2 CYS A 75 -3.147 5.609 -0.875 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -2.816 7.229 -0.294 1.00 0.00 H new ATOM 0 HG CYS A 75 -3.329 4.555 1.802 1.00 0.00 H new ATOM 1156 N SER A 76 -5.695 8.805 -0.508 1.00 0.00 N ATOM 1157 CA SER A 76 -6.099 9.914 -1.361 1.00 0.00 C ATOM 1158 C SER A 76 -4.929 10.381 -2.226 1.00 0.00 C ATOM 1159 O SER A 76 -5.091 10.634 -3.422 1.00 0.00 O ATOM 1160 CB SER A 76 -6.627 11.071 -0.504 1.00 0.00 C ATOM 1161 OG SER A 76 -7.030 12.172 -1.303 1.00 0.00 O ATOM 0 H SER A 76 -5.832 8.972 0.489 1.00 0.00 H new ATOM 0 HA SER A 76 -6.897 9.573 -2.021 1.00 0.00 H new ATOM 0 HB2 SER A 76 -7.471 10.726 0.093 1.00 0.00 H new ATOM 0 HB3 SER A 76 -5.853 11.391 0.193 1.00 0.00 H new ATOM 0 HG SER A 76 -7.362 12.891 -0.726 1.00 0.00 H new ATOM 1167 N PHE A 77 -3.750 10.459 -1.620 1.00 0.00 N ATOM 1168 CA PHE A 77 -2.552 10.908 -2.321 1.00 0.00 C ATOM 1169 C PHE A 77 -2.277 10.031 -3.541 1.00 0.00 C ATOM 1170 O PHE A 77 -2.212 10.524 -4.668 1.00 0.00 O ATOM 1171 CB PHE A 77 -1.348 10.891 -1.372 1.00 0.00 C ATOM 1172 CG PHE A 77 -0.072 11.387 -1.994 1.00 0.00 C ATOM 1173 CD1 PHE A 77 0.105 12.736 -2.260 1.00 0.00 C ATOM 1174 CD2 PHE A 77 0.951 10.504 -2.307 1.00 0.00 C ATOM 1175 CE1 PHE A 77 1.279 13.195 -2.825 1.00 0.00 C ATOM 1176 CE2 PHE A 77 2.127 10.957 -2.873 1.00 0.00 C ATOM 1177 CZ PHE A 77 2.291 12.305 -3.133 1.00 0.00 C ATOM 0 H PHE A 77 -3.597 10.216 -0.641 1.00 0.00 H new ATOM 0 HA PHE A 77 -2.717 11.929 -2.665 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -1.577 11.503 -0.500 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -1.194 9.873 -1.015 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -0.683 13.435 -2.023 1.00 0.00 H new ATOM 0 HD2 PHE A 77 0.827 9.450 -2.106 1.00 0.00 H new ATOM 0 HE1 PHE A 77 1.406 14.248 -3.026 1.00 0.00 H new ATOM 0 HE2 PHE A 77 2.916 10.260 -3.112 1.00 0.00 H new ATOM 0 HZ PHE A 77 3.209 12.662 -3.576 1.00 0.00 H new ATOM 1187 N ALA A 78 -2.149 8.727 -3.309 1.00 0.00 N ATOM 1188 CA ALA A 78 -1.864 7.776 -4.379 1.00 0.00 C ATOM 1189 C ALA A 78 -3.027 7.681 -5.356 1.00 0.00 C ATOM 1190 O ALA A 78 -2.830 7.515 -6.560 1.00 0.00 O ATOM 1191 CB ALA A 78 -1.551 6.407 -3.795 1.00 0.00 C ATOM 0 H ALA A 78 -2.239 8.304 -2.385 1.00 0.00 H new ATOM 0 HA ALA A 78 -0.993 8.135 -4.928 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -1.340 5.706 -4.603 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -0.681 6.480 -3.142 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -2.407 6.052 -3.221 1.00 0.00 H new ATOM 1197 N LYS A 79 -4.239 7.797 -4.828 1.00 0.00 N ATOM 1198 CA LYS A 79 -5.442 7.729 -5.645 1.00 0.00 C ATOM 1199 C LYS A 79 -5.418 8.793 -6.732 1.00 0.00 C ATOM 1200 O LYS A 79 -5.610 8.496 -7.907 1.00 0.00 O ATOM 1201 CB LYS A 79 -6.692 7.909 -4.779 1.00 0.00 C ATOM 1202 CG LYS A 79 -7.985 7.778 -5.560 1.00 0.00 C ATOM 1203 CD LYS A 79 -9.203 8.065 -4.701 1.00 0.00 C ATOM 1204 CE LYS A 79 -10.474 7.850 -5.498 1.00 0.00 C ATOM 1205 NZ LYS A 79 -11.695 8.229 -4.748 1.00 0.00 N ATOM 0 H LYS A 79 -4.414 7.939 -3.833 1.00 0.00 H new ATOM 0 HA LYS A 79 -5.471 6.746 -6.114 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -6.682 7.168 -3.979 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -6.659 8.890 -4.305 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -7.968 8.465 -6.406 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -8.060 6.771 -5.970 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -9.200 7.415 -3.826 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -9.165 9.091 -4.336 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -10.423 8.432 -6.418 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -10.542 6.801 -5.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -12.533 8.061 -5.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -11.763 7.656 -3.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -11.647 9.236 -4.493 1.00 0.00 H new ATOM 1219 N HIS A 80 -5.150 10.032 -6.336 1.00 0.00 N ATOM 1220 CA HIS A 80 -5.148 11.145 -7.275 1.00 0.00 C ATOM 1221 C HIS A 80 -3.947 11.072 -8.212 1.00 0.00 C ATOM 1222 O HIS A 80 -3.909 11.753 -9.231 1.00 0.00 O ATOM 1223 CB HIS A 80 -5.172 12.491 -6.546 1.00 0.00 C ATOM 1224 CG HIS A 80 -6.418 12.730 -5.745 1.00 0.00 C ATOM 1225 ND1 HIS A 80 -7.691 12.651 -6.276 1.00 0.00 N ATOM 1226 CD2 HIS A 80 -6.582 13.034 -4.437 1.00 0.00 C ATOM 1227 CE1 HIS A 80 -8.577 12.898 -5.328 1.00 0.00 C ATOM 1228 NE2 HIS A 80 -7.929 13.131 -4.204 1.00 0.00 N ATOM 0 H HIS A 80 -4.932 10.290 -5.373 1.00 0.00 H new ATOM 0 HA HIS A 80 -6.056 11.066 -7.872 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -4.309 12.548 -5.882 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -5.064 13.291 -7.278 1.00 0.00 H new ATOM 0 HD1 HIS A 80 -7.912 12.436 -7.248 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -5.796 13.174 -3.710 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -9.650 12.907 -5.453 1.00 0.00 H new ATOM 1237 N MET A 81 -2.955 10.261 -7.859 1.00 0.00 N ATOM 1238 CA MET A 81 -1.806 10.048 -8.733 1.00 0.00 C ATOM 1239 C MET A 81 -2.213 9.196 -9.930 1.00 0.00 C ATOM 1240 O MET A 81 -1.866 9.504 -11.072 1.00 0.00 O ATOM 1241 CB MET A 81 -0.648 9.383 -7.982 1.00 0.00 C ATOM 1242 CG MET A 81 -0.057 10.251 -6.882 1.00 0.00 C ATOM 1243 SD MET A 81 1.324 9.461 -6.027 1.00 0.00 S ATOM 1244 CE MET A 81 2.527 9.364 -7.348 1.00 0.00 C ATOM 0 H MET A 81 -2.923 9.744 -6.981 1.00 0.00 H new ATOM 0 HA MET A 81 -1.463 11.022 -9.083 1.00 0.00 H new ATOM 0 HB2 MET A 81 -0.998 8.447 -7.546 1.00 0.00 H new ATOM 0 HB3 MET A 81 0.137 9.129 -8.694 1.00 0.00 H new ATOM 0 HG2 MET A 81 0.280 11.194 -7.312 1.00 0.00 H new ATOM 0 HG3 MET A 81 -0.836 10.492 -6.158 1.00 0.00 H new ATOM 0 HE1 MET A 81 2.763 8.319 -7.549 1.00 0.00 H new ATOM 0 HE2 MET A 81 2.117 9.823 -8.248 1.00 0.00 H new ATOM 0 HE3 MET A 81 3.435 9.891 -7.053 1.00 0.00 H new ATOM 1254 N LEU A 82 -2.968 8.140 -9.661 1.00 0.00 N ATOM 1255 CA LEU A 82 -3.475 7.270 -10.717 1.00 0.00 C ATOM 1256 C LEU A 82 -4.623 7.949 -11.458 1.00 0.00 C ATOM 1257 O LEU A 82 -4.733 7.857 -12.680 1.00 0.00 O ATOM 1258 CB LEU A 82 -3.955 5.942 -10.126 1.00 0.00 C ATOM 1259 CG LEU A 82 -2.895 5.141 -9.366 1.00 0.00 C ATOM 1260 CD1 LEU A 82 -3.516 3.907 -8.732 1.00 0.00 C ATOM 1261 CD2 LEU A 82 -1.755 4.747 -10.292 1.00 0.00 C ATOM 0 H LEU A 82 -3.244 7.863 -8.719 1.00 0.00 H new ATOM 0 HA LEU A 82 -2.665 7.074 -11.420 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -4.787 6.144 -9.451 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -4.343 5.323 -10.935 1.00 0.00 H new ATOM 0 HG LEU A 82 -2.491 5.771 -8.574 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -2.749 3.348 -8.195 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -4.298 4.210 -8.036 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -3.947 3.276 -9.510 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -1.012 4.178 -9.733 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -2.143 4.135 -11.106 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -1.292 5.645 -10.702 1.00 0.00 H new ATOM 1273 N GLU A 83 -5.466 8.637 -10.696 1.00 0.00 N ATOM 1274 CA GLU A 83 -6.621 9.349 -11.235 1.00 0.00 C ATOM 1275 C GLU A 83 -6.191 10.488 -12.163 1.00 0.00 C ATOM 1276 O GLU A 83 -6.911 10.856 -13.091 1.00 0.00 O ATOM 1277 CB GLU A 83 -7.456 9.897 -10.073 1.00 0.00 C ATOM 1278 CG GLU A 83 -8.660 10.721 -10.490 1.00 0.00 C ATOM 1279 CD GLU A 83 -9.388 11.304 -9.297 1.00 0.00 C ATOM 1280 OE1 GLU A 83 -8.793 12.145 -8.589 1.00 0.00 O ATOM 1281 OE2 GLU A 83 -10.552 10.923 -9.053 1.00 0.00 O ATOM 0 H GLU A 83 -5.368 8.717 -9.684 1.00 0.00 H new ATOM 0 HA GLU A 83 -7.218 8.654 -11.825 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -7.799 9.061 -9.464 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -6.815 10.510 -9.440 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -8.337 11.528 -11.148 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -9.345 10.097 -11.064 1.00 0.00 H new ATOM 1288 N LYS A 84 -5.014 11.040 -11.902 1.00 0.00 N ATOM 1289 CA LYS A 84 -4.498 12.157 -12.684 1.00 0.00 C ATOM 1290 C LYS A 84 -4.091 11.714 -14.085 1.00 0.00 C ATOM 1291 O LYS A 84 -4.384 12.390 -15.074 1.00 0.00 O ATOM 1292 CB LYS A 84 -3.282 12.771 -11.986 1.00 0.00 C ATOM 1293 CG LYS A 84 -2.722 13.996 -12.688 1.00 0.00 C ATOM 1294 CD LYS A 84 -1.334 14.343 -12.176 1.00 0.00 C ATOM 1295 CE LYS A 84 -0.807 15.618 -12.809 1.00 0.00 C ATOM 1296 NZ LYS A 84 -0.893 15.585 -14.294 1.00 0.00 N ATOM 0 H LYS A 84 -4.396 10.731 -11.152 1.00 0.00 H new ATOM 0 HA LYS A 84 -5.295 12.896 -12.767 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -3.559 13.043 -10.968 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -2.499 12.017 -11.912 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -2.680 13.814 -13.762 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -3.391 14.843 -12.534 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -1.364 14.459 -11.093 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -0.651 13.521 -12.389 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -1.374 16.470 -12.433 1.00 0.00 H new ATOM 0 HE3 LYS A 84 0.230 15.768 -12.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -0.317 16.354 -14.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -0.539 14.671 -14.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -1.883 15.707 -14.587 1.00 0.00 H new ATOM 1310 N GLU A 85 -3.414 10.579 -14.167 1.00 0.00 N ATOM 1311 CA GLU A 85 -2.809 10.158 -15.417 1.00 0.00 C ATOM 1312 C GLU A 85 -3.754 9.269 -16.218 1.00 0.00 C ATOM 1313 O GLU A 85 -4.281 8.279 -15.712 1.00 0.00 O ATOM 1314 CB GLU A 85 -1.483 9.454 -15.142 1.00 0.00 C ATOM 1315 CG GLU A 85 -0.544 9.475 -16.332 1.00 0.00 C ATOM 1316 CD GLU A 85 0.875 9.111 -15.966 1.00 0.00 C ATOM 1317 OE1 GLU A 85 1.460 9.794 -15.101 1.00 0.00 O ATOM 1318 OE2 GLU A 85 1.417 8.155 -16.553 1.00 0.00 O ATOM 0 H GLU A 85 -3.271 9.938 -13.387 1.00 0.00 H new ATOM 0 HA GLU A 85 -2.612 11.043 -16.023 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -0.994 9.930 -14.292 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -1.679 8.420 -14.859 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -0.909 8.780 -17.089 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -0.555 10.469 -16.780 1.00 0.00 H new ATOM 1325 N ASP A 86 -3.959 9.636 -17.477 1.00 0.00 N ATOM 1326 CA ASP A 86 -4.916 8.952 -18.346 1.00 0.00 C ATOM 1327 C ASP A 86 -4.583 7.471 -18.531 1.00 0.00 C ATOM 1328 O ASP A 86 -5.481 6.633 -18.552 1.00 0.00 O ATOM 1329 CB ASP A 86 -4.997 9.645 -19.714 1.00 0.00 C ATOM 1330 CG ASP A 86 -3.675 9.654 -20.461 1.00 0.00 C ATOM 1331 OD1 ASP A 86 -3.362 8.663 -21.148 1.00 0.00 O ATOM 1332 OD2 ASP A 86 -2.943 10.661 -20.367 1.00 0.00 O ATOM 0 H ASP A 86 -3.471 10.411 -17.925 1.00 0.00 H new ATOM 0 HA ASP A 86 -5.886 9.011 -17.852 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -5.748 9.143 -20.324 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -5.335 10.672 -19.574 1.00 0.00 H new ATOM 1337 N SER A 87 -3.302 7.146 -18.637 1.00 0.00 N ATOM 1338 CA SER A 87 -2.889 5.782 -18.949 1.00 0.00 C ATOM 1339 C SER A 87 -3.134 4.836 -17.772 1.00 0.00 C ATOM 1340 O SER A 87 -3.316 3.633 -17.957 1.00 0.00 O ATOM 1341 CB SER A 87 -1.411 5.767 -19.349 1.00 0.00 C ATOM 1342 OG SER A 87 -1.013 4.497 -19.843 1.00 0.00 O ATOM 0 H SER A 87 -2.533 7.804 -18.512 1.00 0.00 H new ATOM 0 HA SER A 87 -3.493 5.427 -19.784 1.00 0.00 H new ATOM 0 HB2 SER A 87 -1.233 6.526 -20.111 1.00 0.00 H new ATOM 0 HB3 SER A 87 -0.798 6.030 -18.487 1.00 0.00 H new ATOM 0 HG SER A 87 -0.065 4.524 -20.090 1.00 0.00 H new ATOM 1348 N TYR A 88 -3.167 5.383 -16.565 1.00 0.00 N ATOM 1349 CA TYR A 88 -3.320 4.563 -15.369 1.00 0.00 C ATOM 1350 C TYR A 88 -4.793 4.275 -15.085 1.00 0.00 C ATOM 1351 O TYR A 88 -5.119 3.372 -14.317 1.00 0.00 O ATOM 1352 CB TYR A 88 -2.679 5.248 -14.157 1.00 0.00 C ATOM 1353 CG TYR A 88 -1.176 5.435 -14.269 1.00 0.00 C ATOM 1354 CD1 TYR A 88 -0.425 4.720 -15.195 1.00 0.00 C ATOM 1355 CD2 TYR A 88 -0.511 6.325 -13.433 1.00 0.00 C ATOM 1356 CE1 TYR A 88 0.944 4.890 -15.290 1.00 0.00 C ATOM 1357 CE2 TYR A 88 0.859 6.500 -13.522 1.00 0.00 C ATOM 1358 CZ TYR A 88 1.582 5.779 -14.450 1.00 0.00 C ATOM 1359 OH TYR A 88 2.946 5.954 -14.547 1.00 0.00 O ATOM 0 H TYR A 88 -3.091 6.384 -16.387 1.00 0.00 H new ATOM 0 HA TYR A 88 -2.811 3.616 -15.550 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -3.145 6.223 -14.016 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -2.895 4.660 -13.265 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -0.919 4.020 -15.852 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -1.072 6.889 -12.703 1.00 0.00 H new ATOM 0 HE1 TYR A 88 1.511 4.329 -16.018 1.00 0.00 H new ATOM 0 HE2 TYR A 88 1.360 7.198 -12.868 1.00 0.00 H new ATOM 0 HH TYR A 88 3.231 5.796 -15.471 1.00 0.00 H new ATOM 1369 N GLN A 89 -5.675 5.020 -15.735 1.00 0.00 N ATOM 1370 CA GLN A 89 -7.107 4.924 -15.462 1.00 0.00 C ATOM 1371 C GLN A 89 -7.777 3.794 -16.244 1.00 0.00 C ATOM 1372 O GLN A 89 -8.993 3.622 -16.171 1.00 0.00 O ATOM 1373 CB GLN A 89 -7.792 6.255 -15.768 1.00 0.00 C ATOM 1374 CG GLN A 89 -7.427 7.356 -14.786 1.00 0.00 C ATOM 1375 CD GLN A 89 -8.015 8.696 -15.169 1.00 0.00 C ATOM 1376 OE1 GLN A 89 -9.140 9.029 -14.797 1.00 0.00 O ATOM 1377 NE2 GLN A 89 -7.246 9.486 -15.898 1.00 0.00 N ATOM 0 H GLN A 89 -5.427 5.698 -16.455 1.00 0.00 H new ATOM 0 HA GLN A 89 -7.217 4.691 -14.403 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -7.522 6.572 -16.776 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -8.872 6.111 -15.757 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -7.777 7.081 -13.791 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -6.342 7.442 -14.730 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -6.319 9.172 -16.186 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -7.579 10.410 -16.173 1.00 0.00 H new ATOM 1386 N ASP A 90 -6.993 3.029 -16.991 1.00 0.00 N ATOM 1387 CA ASP A 90 -7.524 1.861 -17.688 1.00 0.00 C ATOM 1388 C ASP A 90 -7.543 0.653 -16.762 1.00 0.00 C ATOM 1389 O ASP A 90 -8.502 -0.125 -16.756 1.00 0.00 O ATOM 1390 CB ASP A 90 -6.708 1.538 -18.943 1.00 0.00 C ATOM 1391 CG ASP A 90 -7.123 2.363 -20.146 1.00 0.00 C ATOM 1392 OD1 ASP A 90 -8.042 1.937 -20.880 1.00 0.00 O ATOM 1393 OD2 ASP A 90 -6.524 3.433 -20.373 1.00 0.00 O ATOM 0 H ASP A 90 -5.996 3.192 -17.131 1.00 0.00 H new ATOM 0 HA ASP A 90 -8.543 2.097 -17.995 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -5.652 1.711 -18.738 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -6.818 0.480 -19.179 1.00 0.00 H new ATOM 1398 N VAL A 91 -6.480 0.501 -15.978 1.00 0.00 N ATOM 1399 CA VAL A 91 -6.386 -0.590 -15.015 1.00 0.00 C ATOM 1400 C VAL A 91 -6.979 -0.175 -13.671 1.00 0.00 C ATOM 1401 O VAL A 91 -7.449 -1.011 -12.899 1.00 0.00 O ATOM 1402 CB VAL A 91 -4.926 -1.063 -14.830 1.00 0.00 C ATOM 1403 CG1 VAL A 91 -4.420 -1.736 -16.099 1.00 0.00 C ATOM 1404 CG2 VAL A 91 -4.024 0.102 -14.449 1.00 0.00 C ATOM 0 H VAL A 91 -5.670 1.121 -15.991 1.00 0.00 H new ATOM 0 HA VAL A 91 -6.961 -1.426 -15.413 1.00 0.00 H new ATOM 0 HB VAL A 91 -4.903 -1.790 -14.018 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -3.391 -2.063 -15.952 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -5.046 -2.599 -16.328 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -4.461 -1.029 -16.927 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -3.002 -0.255 -14.324 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -4.052 0.856 -15.236 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.372 0.541 -13.514 1.00 0.00 H new ATOM 1414 N TYR A 92 -6.957 1.123 -13.400 1.00 0.00 N ATOM 1415 CA TYR A 92 -7.586 1.665 -12.209 1.00 0.00 C ATOM 1416 C TYR A 92 -9.077 1.866 -12.464 1.00 0.00 C ATOM 1417 O TYR A 92 -9.477 2.279 -13.551 1.00 0.00 O ATOM 1418 CB TYR A 92 -6.922 2.990 -11.812 1.00 0.00 C ATOM 1419 CG TYR A 92 -7.587 3.693 -10.650 1.00 0.00 C ATOM 1420 CD1 TYR A 92 -7.426 3.232 -9.350 1.00 0.00 C ATOM 1421 CD2 TYR A 92 -8.381 4.814 -10.853 1.00 0.00 C ATOM 1422 CE1 TYR A 92 -8.040 3.866 -8.286 1.00 0.00 C ATOM 1423 CE2 TYR A 92 -9.001 5.452 -9.795 1.00 0.00 C ATOM 1424 CZ TYR A 92 -8.826 4.975 -8.513 1.00 0.00 C ATOM 1425 OH TYR A 92 -9.446 5.604 -7.458 1.00 0.00 O ATOM 0 H TYR A 92 -6.508 1.821 -13.993 1.00 0.00 H new ATOM 0 HA TYR A 92 -7.460 0.962 -11.385 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -5.879 2.799 -11.558 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -6.923 3.657 -12.674 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -6.811 2.363 -9.167 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -8.516 5.194 -11.855 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -7.904 3.494 -7.281 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -9.619 6.320 -9.972 1.00 0.00 H new ATOM 0 HH TYR A 92 -9.429 5.018 -6.672 1.00 0.00 H new ATOM 1435 N LEU A 93 -9.897 1.543 -11.478 1.00 0.00 N ATOM 1436 CA LEU A 93 -11.337 1.729 -11.605 1.00 0.00 C ATOM 1437 C LEU A 93 -11.710 3.174 -11.307 1.00 0.00 C ATOM 1438 O LEU A 93 -12.191 3.497 -10.218 1.00 0.00 O ATOM 1439 CB LEU A 93 -12.106 0.772 -10.683 1.00 0.00 C ATOM 1440 CG LEU A 93 -12.232 -0.675 -11.179 1.00 0.00 C ATOM 1441 CD1 LEU A 93 -10.871 -1.340 -11.302 1.00 0.00 C ATOM 1442 CD2 LEU A 93 -13.128 -1.477 -10.248 1.00 0.00 C ATOM 0 H LEU A 93 -9.595 1.153 -10.585 1.00 0.00 H new ATOM 0 HA LEU A 93 -11.618 1.498 -12.632 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -11.614 0.761 -9.710 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -13.108 1.172 -10.529 1.00 0.00 H new ATOM 0 HG LEU A 93 -12.683 -0.649 -12.171 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -10.997 -2.363 -11.655 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -10.257 -0.784 -12.011 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -10.382 -1.350 -10.328 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -13.208 -2.501 -10.613 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -12.700 -1.481 -9.245 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -14.119 -1.024 -10.218 1.00 0.00 H new