USER MOD reduce.3.24.130724 H: found=0, std=0, add=644, rem=0, adj=24 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 37 ASN : amide:sc= -0.385 K(o=-0.38,f=-2.3!) USER MOD Set 1.2: A 74 SER OG : rot 180:sc= 0.00054 USER MOD Set 2.1: A 41 THR OG1 : rot 76:sc= 0.669 USER MOD Set 2.2: A 75 CYS SG : rot -148:sc= -0.45 USER MOD Set 3.1: A 27 THR OG1 : rot -90:sc= -2.33! USER MOD Set 3.2: A 40 HIS : no HE2:sc= 0.877 K(o=-1.5,f=-8.4!) USER MOD Single : A 7 LYS NZ :NH3+ -175:sc= 1.35 (180deg=1.21) USER MOD Single : A 8 GLN :FLIP amide:sc= 0 F(o=-0.99,f=0) USER MOD Single : A 11 ASN :FLIP amide:sc= -0.162 F(o=-1.6!,f=-0.16) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot -149:sc= 1.26 USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 TYR OH : rot -42:sc= 0.0362 USER MOD Single : A 33 ASN :FLIP amide:sc= -0.112 F(o=-0.61,f=-0.11) USER MOD Single : A 34 ASN : amide:sc= -2.49! C(o=-2.5!,f=-8!) USER MOD Single : A 44 SER OG : rot 140:sc= -0.844 USER MOD Single : A 54 LYS NZ :NH3+ 159:sc= 0.822 (180deg=0.336) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -167:sc= -0.081 (180deg=-0.379) USER MOD Single : A 63 HIS : no HE2:sc= 1.1 K(o=1.1,f=-4.7!) USER MOD Single : A 67 ASN : amide:sc= 0.961 K(o=0.96,f=0) USER MOD Single : A 68 ASN :FLIP amide:sc= 0 F(o=-0.51,f=0) USER MOD Single : A 70 LYS NZ :NH3+ 177:sc= 0.43 (180deg=0.35) USER MOD Single : A 76 SER OG : rot 180:sc= 0.0158 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 81 MET CE :methyl -106:sc= -2.9! (180deg=-3.19!) USER MOD Single : A 84 LYS NZ :NH3+ -173:sc= 0.833 (180deg=0.747) USER MOD Single : A 87 SER OG : rot -22:sc= 0.502 USER MOD Single : A 88 TYR OH : rot 60:sc= -2.66! USER MOD Single : A 89 GLN :FLIP amide:sc= 0 F(o=-0.87,f=0) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 64 N GLU A 5 16.418 0.933 -6.022 1.00 0.00 N ATOM 65 CA GLU A 5 15.500 0.352 -6.997 1.00 0.00 C ATOM 66 C GLU A 5 14.225 -0.077 -6.286 1.00 0.00 C ATOM 67 O GLU A 5 14.087 0.127 -5.079 1.00 0.00 O ATOM 68 CB GLU A 5 16.113 -0.850 -7.741 1.00 0.00 C ATOM 69 CG GLU A 5 16.318 -2.088 -6.881 1.00 0.00 C ATOM 70 CD GLU A 5 17.357 -1.882 -5.806 1.00 0.00 C ATOM 71 OE1 GLU A 5 18.555 -1.888 -6.142 1.00 0.00 O ATOM 72 OE2 GLU A 5 16.979 -1.688 -4.638 1.00 0.00 O ATOM 0 HA GLU A 5 15.283 1.114 -7.746 1.00 0.00 H new ATOM 0 HB2 GLU A 5 15.467 -1.109 -8.580 1.00 0.00 H new ATOM 0 HB3 GLU A 5 17.074 -0.550 -8.159 1.00 0.00 H new ATOM 0 HG2 GLU A 5 15.371 -2.365 -6.418 1.00 0.00 H new ATOM 0 HG3 GLU A 5 16.618 -2.922 -7.516 1.00 0.00 H new ATOM 79 N ILE A 6 13.304 -0.669 -7.028 1.00 0.00 N ATOM 80 CA ILE A 6 12.045 -1.114 -6.457 1.00 0.00 C ATOM 81 C ILE A 6 12.190 -2.515 -5.875 1.00 0.00 C ATOM 82 O ILE A 6 12.104 -3.510 -6.596 1.00 0.00 O ATOM 83 CB ILE A 6 10.914 -1.113 -7.511 1.00 0.00 C ATOM 84 CG1 ILE A 6 10.834 0.253 -8.196 1.00 0.00 C ATOM 85 CG2 ILE A 6 9.580 -1.458 -6.860 1.00 0.00 C ATOM 86 CD1 ILE A 6 9.866 0.299 -9.360 1.00 0.00 C ATOM 0 H ILE A 6 13.405 -0.852 -8.026 1.00 0.00 H new ATOM 0 HA ILE A 6 11.781 -0.414 -5.664 1.00 0.00 H new ATOM 0 HB ILE A 6 11.137 -1.870 -8.263 1.00 0.00 H new ATOM 0 HG12 ILE A 6 10.538 1.001 -7.460 1.00 0.00 H new ATOM 0 HG13 ILE A 6 11.827 0.530 -8.550 1.00 0.00 H new ATOM 0 HG21 ILE A 6 8.794 -1.453 -7.616 1.00 0.00 H new ATOM 0 HG22 ILE A 6 9.641 -2.447 -6.407 1.00 0.00 H new ATOM 0 HG23 ILE A 6 9.349 -0.721 -6.091 1.00 0.00 H new ATOM 0 HD11 ILE A 6 9.865 1.299 -9.793 1.00 0.00 H new ATOM 0 HD12 ILE A 6 10.172 -0.424 -10.116 1.00 0.00 H new ATOM 0 HD13 ILE A 6 8.863 0.055 -9.009 1.00 0.00 H new ATOM 98 N LYS A 7 12.441 -2.588 -4.576 1.00 0.00 N ATOM 99 CA LYS A 7 12.517 -3.867 -3.893 1.00 0.00 C ATOM 100 C LYS A 7 11.113 -4.374 -3.593 1.00 0.00 C ATOM 101 O LYS A 7 10.168 -3.589 -3.509 1.00 0.00 O ATOM 102 CB LYS A 7 13.318 -3.756 -2.595 1.00 0.00 C ATOM 103 CG LYS A 7 14.802 -3.503 -2.801 1.00 0.00 C ATOM 104 CD LYS A 7 15.554 -3.550 -1.480 1.00 0.00 C ATOM 105 CE LYS A 7 17.060 -3.469 -1.676 1.00 0.00 C ATOM 106 NZ LYS A 7 17.493 -2.139 -2.178 1.00 0.00 N ATOM 0 H LYS A 7 12.595 -1.777 -3.977 1.00 0.00 H new ATOM 0 HA LYS A 7 13.029 -4.572 -4.547 1.00 0.00 H new ATOM 0 HB2 LYS A 7 12.903 -2.948 -1.993 1.00 0.00 H new ATOM 0 HB3 LYS A 7 13.193 -4.676 -2.024 1.00 0.00 H new ATOM 0 HG2 LYS A 7 15.210 -4.250 -3.482 1.00 0.00 H new ATOM 0 HG3 LYS A 7 14.946 -2.530 -3.271 1.00 0.00 H new ATOM 0 HD2 LYS A 7 15.226 -2.725 -0.847 1.00 0.00 H new ATOM 0 HD3 LYS A 7 15.306 -4.472 -0.955 1.00 0.00 H new ATOM 0 HE2 LYS A 7 17.559 -3.678 -0.730 1.00 0.00 H new ATOM 0 HE3 LYS A 7 17.375 -4.240 -2.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 18.514 -2.158 -2.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 16.975 -1.912 -3.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 17.294 -1.415 -1.459 1.00 0.00 H new ATOM 120 N GLN A 8 10.979 -5.677 -3.420 1.00 0.00 N ATOM 121 CA GLN A 8 9.673 -6.282 -3.225 1.00 0.00 C ATOM 122 C GLN A 8 9.516 -6.843 -1.820 1.00 0.00 C ATOM 123 O GLN A 8 10.476 -7.307 -1.201 1.00 0.00 O ATOM 124 CB GLN A 8 9.433 -7.383 -4.261 1.00 0.00 C ATOM 125 CG GLN A 8 10.507 -8.461 -4.284 1.00 0.00 C ATOM 126 CD GLN A 8 10.195 -9.577 -5.264 1.00 0.00 C ATOM 127 OE1 GLN A 8 9.468 -9.252 -6.323 1.00 0.00 O flip ATOM 128 NE2 GLN A 8 10.600 -10.722 -5.069 1.00 0.00 N flip ATOM 0 H GLN A 8 11.757 -6.336 -3.411 1.00 0.00 H new ATOM 0 HA GLN A 8 8.927 -5.498 -3.357 1.00 0.00 H new ATOM 0 HB2 GLN A 8 8.469 -7.850 -4.062 1.00 0.00 H new ATOM 0 HB3 GLN A 8 9.369 -6.929 -5.250 1.00 0.00 H new ATOM 0 HG2 GLN A 8 11.464 -8.009 -4.546 1.00 0.00 H new ATOM 0 HG3 GLN A 8 10.616 -8.881 -3.284 1.00 0.00 H new ATOM 0 HE21 GLN A 8 11.157 -10.932 -4.241 1.00 0.00 H new ATOM 0 HE22 GLN A 8 10.378 -11.462 -5.735 1.00 0.00 H new ATOM 137 N GLY A 9 8.298 -6.775 -1.322 1.00 0.00 N ATOM 138 CA GLY A 9 7.971 -7.354 -0.042 1.00 0.00 C ATOM 139 C GLY A 9 6.659 -8.096 -0.114 1.00 0.00 C ATOM 140 O GLY A 9 6.087 -8.235 -1.196 1.00 0.00 O ATOM 0 H GLY A 9 7.515 -6.320 -1.791 1.00 0.00 H new ATOM 0 HA2 GLY A 9 8.764 -8.035 0.268 1.00 0.00 H new ATOM 0 HA3 GLY A 9 7.911 -6.570 0.713 1.00 0.00 H new ATOM 144 N GLU A 10 6.173 -8.578 1.018 1.00 0.00 N ATOM 145 CA GLU A 10 4.900 -9.286 1.044 1.00 0.00 C ATOM 146 C GLU A 10 3.746 -8.326 0.788 1.00 0.00 C ATOM 147 O GLU A 10 3.393 -7.528 1.658 1.00 0.00 O ATOM 148 CB GLU A 10 4.701 -9.999 2.381 1.00 0.00 C ATOM 149 CG GLU A 10 5.759 -11.047 2.673 1.00 0.00 C ATOM 150 CD GLU A 10 5.906 -12.040 1.540 1.00 0.00 C ATOM 151 OE1 GLU A 10 5.026 -12.913 1.388 1.00 0.00 O ATOM 152 OE2 GLU A 10 6.900 -11.947 0.790 1.00 0.00 O ATOM 0 H GLU A 10 6.634 -8.494 1.924 1.00 0.00 H new ATOM 0 HA GLU A 10 4.916 -10.034 0.251 1.00 0.00 H new ATOM 0 HB2 GLU A 10 4.703 -9.259 3.182 1.00 0.00 H new ATOM 0 HB3 GLU A 10 3.720 -10.473 2.388 1.00 0.00 H new ATOM 0 HG2 GLU A 10 6.716 -10.556 2.850 1.00 0.00 H new ATOM 0 HG3 GLU A 10 5.499 -11.578 3.589 1.00 0.00 H new ATOM 159 N ASN A 11 3.186 -8.398 -0.422 1.00 0.00 N ATOM 160 CA ASN A 11 2.071 -7.538 -0.831 1.00 0.00 C ATOM 161 C ASN A 11 2.478 -6.066 -0.841 1.00 0.00 C ATOM 162 O ASN A 11 1.645 -5.183 -0.629 1.00 0.00 O ATOM 163 CB ASN A 11 0.851 -7.739 0.083 1.00 0.00 C ATOM 164 CG ASN A 11 0.054 -8.990 -0.253 1.00 0.00 C ATOM 165 OD1 ASN A 11 -0.010 -9.336 -1.531 1.00 0.00 O flip ATOM 166 ND2 ASN A 11 -0.524 -9.632 0.627 1.00 0.00 N flip ATOM 0 H ASN A 11 3.491 -9.051 -1.144 1.00 0.00 H new ATOM 0 HA ASN A 11 1.798 -7.827 -1.846 1.00 0.00 H new ATOM 0 HB2 ASN A 11 1.186 -7.796 1.119 1.00 0.00 H new ATOM 0 HB3 ASN A 11 0.199 -6.869 0.006 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -0.454 -9.339 1.601 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -1.072 -10.456 0.380 1.00 0.00 H new ATOM 173 N LYS A 12 3.752 -5.795 -1.110 1.00 0.00 N ATOM 174 CA LYS A 12 4.228 -4.420 -1.145 1.00 0.00 C ATOM 175 C LYS A 12 5.519 -4.283 -1.937 1.00 0.00 C ATOM 176 O LYS A 12 6.195 -5.270 -2.232 1.00 0.00 O ATOM 177 CB LYS A 12 4.450 -3.887 0.273 1.00 0.00 C ATOM 178 CG LYS A 12 5.544 -4.604 1.049 1.00 0.00 C ATOM 179 CD LYS A 12 5.917 -3.826 2.300 1.00 0.00 C ATOM 180 CE LYS A 12 6.995 -4.525 3.111 1.00 0.00 C ATOM 181 NZ LYS A 12 7.473 -3.674 4.235 1.00 0.00 N ATOM 0 H LYS A 12 4.463 -6.500 -1.304 1.00 0.00 H new ATOM 0 HA LYS A 12 3.456 -3.833 -1.642 1.00 0.00 H new ATOM 0 HB2 LYS A 12 4.697 -2.827 0.215 1.00 0.00 H new ATOM 0 HB3 LYS A 12 3.516 -3.966 0.828 1.00 0.00 H new ATOM 0 HG2 LYS A 12 5.206 -5.603 1.324 1.00 0.00 H new ATOM 0 HG3 LYS A 12 6.423 -4.728 0.417 1.00 0.00 H new ATOM 0 HD2 LYS A 12 6.264 -2.832 2.018 1.00 0.00 H new ATOM 0 HD3 LYS A 12 5.030 -3.690 2.919 1.00 0.00 H new ATOM 0 HE2 LYS A 12 6.604 -5.463 3.505 1.00 0.00 H new ATOM 0 HE3 LYS A 12 7.834 -4.777 2.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 8.208 -4.182 4.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 7.868 -2.790 3.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 6.677 -3.455 4.867 1.00 0.00 H new ATOM 195 N PHE A 13 5.845 -3.044 -2.269 1.00 0.00 N ATOM 196 CA PHE A 13 7.113 -2.695 -2.890 1.00 0.00 C ATOM 197 C PHE A 13 7.711 -1.523 -2.130 1.00 0.00 C ATOM 198 O PHE A 13 6.973 -0.704 -1.583 1.00 0.00 O ATOM 199 CB PHE A 13 6.927 -2.310 -4.365 1.00 0.00 C ATOM 200 CG PHE A 13 6.464 -3.434 -5.248 1.00 0.00 C ATOM 201 CD1 PHE A 13 7.258 -4.551 -5.443 1.00 0.00 C ATOM 202 CD2 PHE A 13 5.237 -3.368 -5.889 1.00 0.00 C ATOM 203 CE1 PHE A 13 6.838 -5.585 -6.256 1.00 0.00 C ATOM 204 CE2 PHE A 13 4.811 -4.400 -6.705 1.00 0.00 C ATOM 205 CZ PHE A 13 5.613 -5.509 -6.889 1.00 0.00 C ATOM 0 H PHE A 13 5.231 -2.245 -2.113 1.00 0.00 H new ATOM 0 HA PHE A 13 7.776 -3.560 -2.853 1.00 0.00 H new ATOM 0 HB2 PHE A 13 6.205 -1.495 -4.427 1.00 0.00 H new ATOM 0 HB3 PHE A 13 7.873 -1.928 -4.750 1.00 0.00 H new ATOM 0 HD1 PHE A 13 8.218 -4.615 -4.953 1.00 0.00 H new ATOM 0 HD2 PHE A 13 4.607 -2.502 -5.750 1.00 0.00 H new ATOM 0 HE1 PHE A 13 7.467 -6.452 -6.397 1.00 0.00 H new ATOM 0 HE2 PHE A 13 3.852 -4.339 -7.198 1.00 0.00 H new ATOM 0 HZ PHE A 13 5.283 -6.316 -7.527 1.00 0.00 H new ATOM 215 N TYR A 14 9.029 -1.435 -2.082 1.00 0.00 N ATOM 216 CA TYR A 14 9.674 -0.360 -1.345 1.00 0.00 C ATOM 217 C TYR A 14 11.026 -0.013 -1.948 1.00 0.00 C ATOM 218 O TYR A 14 11.757 -0.884 -2.421 1.00 0.00 O ATOM 219 CB TYR A 14 9.828 -0.732 0.140 1.00 0.00 C ATOM 220 CG TYR A 14 10.730 -1.920 0.402 1.00 0.00 C ATOM 221 CD1 TYR A 14 10.279 -3.220 0.211 1.00 0.00 C ATOM 222 CD2 TYR A 14 12.037 -1.737 0.840 1.00 0.00 C ATOM 223 CE1 TYR A 14 11.102 -4.304 0.448 1.00 0.00 C ATOM 224 CE2 TYR A 14 12.867 -2.815 1.078 1.00 0.00 C ATOM 225 CZ TYR A 14 12.394 -4.095 0.880 1.00 0.00 C ATOM 226 OH TYR A 14 13.218 -5.171 1.108 1.00 0.00 O ATOM 0 H TYR A 14 9.668 -2.086 -2.538 1.00 0.00 H new ATOM 0 HA TYR A 14 9.036 0.521 -1.417 1.00 0.00 H new ATOM 0 HB2 TYR A 14 10.220 0.131 0.678 1.00 0.00 H new ATOM 0 HB3 TYR A 14 8.841 -0.944 0.552 1.00 0.00 H new ATOM 0 HD1 TYR A 14 9.267 -3.386 -0.129 1.00 0.00 H new ATOM 0 HD2 TYR A 14 12.409 -0.735 0.997 1.00 0.00 H new ATOM 0 HE1 TYR A 14 10.735 -5.308 0.296 1.00 0.00 H new ATOM 0 HE2 TYR A 14 13.880 -2.656 1.417 1.00 0.00 H new ATOM 0 HH TYR A 14 13.850 -4.953 1.824 1.00 0.00 H new ATOM 236 N ILE A 15 11.341 1.268 -1.946 1.00 0.00 N ATOM 237 CA ILE A 15 12.640 1.738 -2.389 1.00 0.00 C ATOM 238 C ILE A 15 13.417 2.267 -1.193 1.00 0.00 C ATOM 239 O ILE A 15 12.940 3.150 -0.472 1.00 0.00 O ATOM 240 CB ILE A 15 12.520 2.849 -3.459 1.00 0.00 C ATOM 241 CG1 ILE A 15 11.742 2.335 -4.679 1.00 0.00 C ATOM 242 CG2 ILE A 15 13.901 3.352 -3.872 1.00 0.00 C ATOM 243 CD1 ILE A 15 11.612 3.353 -5.791 1.00 0.00 C ATOM 0 H ILE A 15 10.709 2.008 -1.640 1.00 0.00 H new ATOM 0 HA ILE A 15 13.164 0.897 -2.843 1.00 0.00 H new ATOM 0 HB ILE A 15 11.970 3.685 -3.027 1.00 0.00 H new ATOM 0 HG12 ILE A 15 12.240 1.447 -5.068 1.00 0.00 H new ATOM 0 HG13 ILE A 15 10.746 2.029 -4.361 1.00 0.00 H new ATOM 0 HG21 ILE A 15 13.794 4.133 -4.625 1.00 0.00 H new ATOM 0 HG22 ILE A 15 14.416 3.756 -3.001 1.00 0.00 H new ATOM 0 HG23 ILE A 15 14.480 2.526 -4.285 1.00 0.00 H new ATOM 0 HD11 ILE A 15 11.051 2.918 -6.618 1.00 0.00 H new ATOM 0 HD12 ILE A 15 11.087 4.233 -5.419 1.00 0.00 H new ATOM 0 HD13 ILE A 15 12.604 3.642 -6.138 1.00 0.00 H new ATOM 255 N GLY A 16 14.593 1.712 -0.967 1.00 0.00 N ATOM 256 CA GLY A 16 15.401 2.136 0.149 1.00 0.00 C ATOM 257 C GLY A 16 16.554 1.196 0.411 1.00 0.00 C ATOM 258 O GLY A 16 16.659 0.136 -0.218 1.00 0.00 O ATOM 0 H GLY A 16 15.003 0.973 -1.539 1.00 0.00 H new ATOM 0 HA2 GLY A 16 15.788 3.137 -0.044 1.00 0.00 H new ATOM 0 HA3 GLY A 16 14.779 2.202 1.041 1.00 0.00 H new ATOM 262 N ASP A 17 17.416 1.585 1.341 1.00 0.00 N ATOM 263 CA ASP A 17 18.591 0.800 1.695 1.00 0.00 C ATOM 264 C ASP A 17 18.184 -0.527 2.314 1.00 0.00 C ATOM 265 O ASP A 17 18.675 -1.585 1.922 1.00 0.00 O ATOM 266 CB ASP A 17 19.473 1.576 2.679 1.00 0.00 C ATOM 267 CG ASP A 17 19.956 2.894 2.110 1.00 0.00 C ATOM 268 OD1 ASP A 17 20.930 2.889 1.328 1.00 0.00 O ATOM 269 OD2 ASP A 17 19.371 3.946 2.454 1.00 0.00 O ATOM 0 H ASP A 17 17.321 2.452 1.870 1.00 0.00 H new ATOM 0 HA ASP A 17 19.155 0.605 0.783 1.00 0.00 H new ATOM 0 HB2 ASP A 17 18.912 1.763 3.595 1.00 0.00 H new ATOM 0 HB3 ASP A 17 20.333 0.964 2.951 1.00 0.00 H new ATOM 274 N ASP A 18 17.275 -0.455 3.280 1.00 0.00 N ATOM 275 CA ASP A 18 16.800 -1.634 4.000 1.00 0.00 C ATOM 276 C ASP A 18 15.315 -1.486 4.298 1.00 0.00 C ATOM 277 O ASP A 18 14.691 -0.509 3.888 1.00 0.00 O ATOM 278 CB ASP A 18 17.550 -1.795 5.330 1.00 0.00 C ATOM 279 CG ASP A 18 19.046 -1.967 5.171 1.00 0.00 C ATOM 280 OD1 ASP A 18 19.507 -3.118 5.016 1.00 0.00 O ATOM 281 OD2 ASP A 18 19.772 -0.954 5.220 1.00 0.00 O ATOM 0 H ASP A 18 16.847 0.419 3.586 1.00 0.00 H new ATOM 0 HA ASP A 18 16.978 -2.510 3.376 1.00 0.00 H new ATOM 0 HB2 ASP A 18 17.358 -0.921 5.953 1.00 0.00 H new ATOM 0 HB3 ASP A 18 17.149 -2.659 5.860 1.00 0.00 H new ATOM 286 N GLU A 19 14.757 -2.443 5.036 1.00 0.00 N ATOM 287 CA GLU A 19 13.393 -2.320 5.537 1.00 0.00 C ATOM 288 C GLU A 19 13.353 -1.200 6.564 1.00 0.00 C ATOM 289 O GLU A 19 12.354 -0.501 6.712 1.00 0.00 O ATOM 290 CB GLU A 19 12.906 -3.623 6.190 1.00 0.00 C ATOM 291 CG GLU A 19 12.769 -4.805 5.242 1.00 0.00 C ATOM 292 CD GLU A 19 14.099 -5.291 4.709 1.00 0.00 C ATOM 293 OE1 GLU A 19 15.014 -5.550 5.519 1.00 0.00 O ATOM 294 OE2 GLU A 19 14.243 -5.391 3.476 1.00 0.00 O ATOM 0 H GLU A 19 15.228 -3.309 5.299 1.00 0.00 H new ATOM 0 HA GLU A 19 12.735 -2.103 4.696 1.00 0.00 H new ATOM 0 HB2 GLU A 19 13.599 -3.894 6.986 1.00 0.00 H new ATOM 0 HB3 GLU A 19 11.939 -3.438 6.658 1.00 0.00 H new ATOM 0 HG2 GLU A 19 12.270 -5.624 5.760 1.00 0.00 H new ATOM 0 HG3 GLU A 19 12.130 -4.521 4.406 1.00 0.00 H new ATOM 301 N ASN A 20 14.475 -1.041 7.259 1.00 0.00 N ATOM 302 CA ASN A 20 14.643 0.017 8.246 1.00 0.00 C ATOM 303 C ASN A 20 14.673 1.386 7.574 1.00 0.00 C ATOM 304 O ASN A 20 14.471 2.413 8.220 1.00 0.00 O ATOM 305 CB ASN A 20 15.947 -0.192 9.025 1.00 0.00 C ATOM 306 CG ASN A 20 15.964 -1.481 9.824 1.00 0.00 C ATOM 307 OD1 ASN A 20 14.933 -1.934 10.324 1.00 0.00 O ATOM 308 ND2 ASN A 20 17.135 -2.086 9.945 1.00 0.00 N ATOM 0 H ASN A 20 15.292 -1.642 7.153 1.00 0.00 H new ATOM 0 HA ASN A 20 13.796 -0.022 8.931 1.00 0.00 H new ATOM 0 HB2 ASN A 20 16.784 -0.194 8.327 1.00 0.00 H new ATOM 0 HB3 ASN A 20 16.098 0.649 9.701 1.00 0.00 H new ATOM 0 HD21 ASN A 20 17.206 -2.959 10.467 1.00 0.00 H new ATOM 0 HD22 ASN A 20 17.966 -1.679 9.516 1.00 0.00 H new ATOM 315 N ASN A 21 14.924 1.395 6.272 1.00 0.00 N ATOM 316 CA ASN A 21 15.075 2.637 5.530 1.00 0.00 C ATOM 317 C ASN A 21 14.247 2.608 4.257 1.00 0.00 C ATOM 318 O ASN A 21 14.782 2.702 3.153 1.00 0.00 O ATOM 319 CB ASN A 21 16.548 2.888 5.193 1.00 0.00 C ATOM 320 CG ASN A 21 17.381 3.216 6.418 1.00 0.00 C ATOM 321 OD1 ASN A 21 17.925 2.325 7.074 1.00 0.00 O ATOM 322 ND2 ASN A 21 17.493 4.498 6.730 1.00 0.00 N ATOM 0 H ASN A 21 15.027 0.552 5.707 1.00 0.00 H new ATOM 0 HA ASN A 21 14.716 3.451 6.159 1.00 0.00 H new ATOM 0 HB2 ASN A 21 16.960 2.005 4.704 1.00 0.00 H new ATOM 0 HB3 ASN A 21 16.619 3.709 4.480 1.00 0.00 H new ATOM 0 HD21 ASN A 21 18.046 4.779 7.540 1.00 0.00 H new ATOM 0 HD22 ASN A 21 17.027 5.204 6.161 1.00 0.00 H new ATOM 329 N ALA A 22 12.945 2.453 4.414 1.00 0.00 N ATOM 330 CA ALA A 22 12.028 2.495 3.286 1.00 0.00 C ATOM 331 C ALA A 22 11.496 3.909 3.096 1.00 0.00 C ATOM 332 O ALA A 22 10.512 4.308 3.720 1.00 0.00 O ATOM 333 CB ALA A 22 10.886 1.506 3.484 1.00 0.00 C ATOM 0 H ALA A 22 12.495 2.296 5.316 1.00 0.00 H new ATOM 0 HA ALA A 22 12.569 2.206 2.385 1.00 0.00 H new ATOM 0 HB1 ALA A 22 10.211 1.553 2.629 1.00 0.00 H new ATOM 0 HB2 ALA A 22 11.289 0.497 3.573 1.00 0.00 H new ATOM 0 HB3 ALA A 22 10.339 1.759 4.392 1.00 0.00 H new ATOM 339 N LEU A 23 12.168 4.676 2.248 1.00 0.00 N ATOM 340 CA LEU A 23 11.790 6.065 2.017 1.00 0.00 C ATOM 341 C LEU A 23 10.689 6.146 0.968 1.00 0.00 C ATOM 342 O LEU A 23 10.042 7.181 0.799 1.00 0.00 O ATOM 343 CB LEU A 23 12.998 6.907 1.584 1.00 0.00 C ATOM 344 CG LEU A 23 14.154 6.980 2.591 1.00 0.00 C ATOM 345 CD1 LEU A 23 15.075 5.773 2.463 1.00 0.00 C ATOM 346 CD2 LEU A 23 14.937 8.268 2.409 1.00 0.00 C ATOM 0 H LEU A 23 12.975 4.362 1.710 1.00 0.00 H new ATOM 0 HA LEU A 23 11.416 6.471 2.957 1.00 0.00 H new ATOM 0 HB2 LEU A 23 13.382 6.503 0.647 1.00 0.00 H new ATOM 0 HB3 LEU A 23 12.656 7.921 1.378 1.00 0.00 H new ATOM 0 HG LEU A 23 13.726 6.970 3.593 1.00 0.00 H new ATOM 0 HD11 LEU A 23 15.884 5.854 3.189 1.00 0.00 H new ATOM 0 HD12 LEU A 23 14.508 4.861 2.651 1.00 0.00 H new ATOM 0 HD13 LEU A 23 15.493 5.739 1.457 1.00 0.00 H new ATOM 0 HD21 LEU A 23 15.753 8.303 3.131 1.00 0.00 H new ATOM 0 HD22 LEU A 23 15.345 8.306 1.399 1.00 0.00 H new ATOM 0 HD23 LEU A 23 14.276 9.121 2.566 1.00 0.00 H new ATOM 358 N ALA A 24 10.488 5.041 0.273 1.00 0.00 N ATOM 359 CA ALA A 24 9.437 4.936 -0.717 1.00 0.00 C ATOM 360 C ALA A 24 8.661 3.643 -0.509 1.00 0.00 C ATOM 361 O ALA A 24 9.094 2.574 -0.932 1.00 0.00 O ATOM 362 CB ALA A 24 10.032 5.012 -2.113 1.00 0.00 C ATOM 0 H ALA A 24 11.048 4.195 0.380 1.00 0.00 H new ATOM 0 HA ALA A 24 8.741 5.768 -0.605 1.00 0.00 H new ATOM 0 HB1 ALA A 24 9.236 4.932 -2.853 1.00 0.00 H new ATOM 0 HB2 ALA A 24 10.549 5.964 -2.237 1.00 0.00 H new ATOM 0 HB3 ALA A 24 10.739 4.194 -2.252 1.00 0.00 H new ATOM 368 N GLU A 25 7.530 3.754 0.170 1.00 0.00 N ATOM 369 CA GLU A 25 6.745 2.594 0.582 1.00 0.00 C ATOM 370 C GLU A 25 5.394 2.564 -0.140 1.00 0.00 C ATOM 371 O GLU A 25 4.726 3.594 -0.254 1.00 0.00 O ATOM 372 CB GLU A 25 6.537 2.669 2.103 1.00 0.00 C ATOM 373 CG GLU A 25 5.647 1.586 2.692 1.00 0.00 C ATOM 374 CD GLU A 25 6.290 0.215 2.691 1.00 0.00 C ATOM 375 OE1 GLU A 25 7.365 0.051 3.309 1.00 0.00 O ATOM 376 OE2 GLU A 25 5.693 -0.717 2.124 1.00 0.00 O ATOM 0 H GLU A 25 7.128 4.648 0.452 1.00 0.00 H new ATOM 0 HA GLU A 25 7.277 1.680 0.320 1.00 0.00 H new ATOM 0 HB2 GLU A 25 7.511 2.620 2.589 1.00 0.00 H new ATOM 0 HB3 GLU A 25 6.108 3.641 2.347 1.00 0.00 H new ATOM 0 HG2 GLU A 25 5.386 1.857 3.715 1.00 0.00 H new ATOM 0 HG3 GLU A 25 4.716 1.543 2.127 1.00 0.00 H new ATOM 383 N ILE A 26 4.994 1.395 -0.630 1.00 0.00 N ATOM 384 CA ILE A 26 3.695 1.244 -1.278 1.00 0.00 C ATOM 385 C ILE A 26 3.166 -0.185 -1.119 1.00 0.00 C ATOM 386 O ILE A 26 3.860 -1.157 -1.420 1.00 0.00 O ATOM 387 CB ILE A 26 3.751 1.635 -2.779 1.00 0.00 C ATOM 388 CG1 ILE A 26 2.368 1.493 -3.427 1.00 0.00 C ATOM 389 CG2 ILE A 26 4.787 0.803 -3.527 1.00 0.00 C ATOM 390 CD1 ILE A 26 2.317 1.969 -4.863 1.00 0.00 C ATOM 0 H ILE A 26 5.549 0.540 -0.591 1.00 0.00 H new ATOM 0 HA ILE A 26 3.007 1.928 -0.781 1.00 0.00 H new ATOM 0 HB ILE A 26 4.054 2.680 -2.842 1.00 0.00 H new ATOM 0 HG12 ILE A 26 2.065 0.447 -3.389 1.00 0.00 H new ATOM 0 HG13 ILE A 26 1.642 2.057 -2.841 1.00 0.00 H new ATOM 0 HG21 ILE A 26 4.803 1.099 -4.576 1.00 0.00 H new ATOM 0 HG22 ILE A 26 5.771 0.967 -3.088 1.00 0.00 H new ATOM 0 HG23 ILE A 26 4.528 -0.253 -3.452 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.308 1.838 -5.254 1.00 0.00 H new ATOM 0 HD12 ILE A 26 2.589 3.024 -4.907 1.00 0.00 H new ATOM 0 HD13 ILE A 26 3.017 1.389 -5.464 1.00 0.00 H new ATOM 402 N THR A 27 1.940 -0.307 -0.628 1.00 0.00 N ATOM 403 CA THR A 27 1.343 -1.612 -0.377 1.00 0.00 C ATOM 404 C THR A 27 0.138 -1.859 -1.282 1.00 0.00 C ATOM 405 O THR A 27 -0.583 -0.925 -1.639 1.00 0.00 O ATOM 406 CB THR A 27 0.904 -1.728 1.094 1.00 0.00 C ATOM 407 OG1 THR A 27 0.144 -0.570 1.467 1.00 0.00 O ATOM 408 CG2 THR A 27 2.098 -1.860 2.022 1.00 0.00 C ATOM 0 H THR A 27 1.339 0.483 -0.395 1.00 0.00 H new ATOM 0 HA THR A 27 2.102 -2.364 -0.595 1.00 0.00 H new ATOM 0 HB THR A 27 0.293 -2.625 1.189 1.00 0.00 H new ATOM 0 HG1 THR A 27 0.747 0.118 1.818 1.00 0.00 H new ATOM 0 HG21 THR A 27 1.751 -1.940 3.052 1.00 0.00 H new ATOM 0 HG22 THR A 27 2.665 -2.753 1.760 1.00 0.00 H new ATOM 0 HG23 THR A 27 2.736 -0.982 1.921 1.00 0.00 H new ATOM 416 N TYR A 28 -0.079 -3.118 -1.644 1.00 0.00 N ATOM 417 CA TYR A 28 -1.219 -3.501 -2.466 1.00 0.00 C ATOM 418 C TYR A 28 -1.692 -4.897 -2.063 1.00 0.00 C ATOM 419 O TYR A 28 -0.878 -5.785 -1.818 1.00 0.00 O ATOM 420 CB TYR A 28 -0.854 -3.469 -3.962 1.00 0.00 C ATOM 421 CG TYR A 28 0.156 -4.521 -4.372 1.00 0.00 C ATOM 422 CD1 TYR A 28 1.516 -4.340 -4.147 1.00 0.00 C ATOM 423 CD2 TYR A 28 -0.257 -5.706 -4.972 1.00 0.00 C ATOM 424 CE1 TYR A 28 2.433 -5.306 -4.509 1.00 0.00 C ATOM 425 CE2 TYR A 28 0.654 -6.678 -5.332 1.00 0.00 C ATOM 426 CZ TYR A 28 1.997 -6.473 -5.098 1.00 0.00 C ATOM 427 OH TYR A 28 2.906 -7.440 -5.452 1.00 0.00 O ATOM 0 H TYR A 28 0.525 -3.896 -1.378 1.00 0.00 H new ATOM 0 HA TYR A 28 -2.025 -2.786 -2.303 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -1.762 -3.603 -4.550 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -0.457 -2.484 -4.208 1.00 0.00 H new ATOM 0 HD1 TYR A 28 1.861 -3.429 -3.681 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -1.308 -5.868 -5.159 1.00 0.00 H new ATOM 0 HE1 TYR A 28 3.487 -5.148 -4.332 1.00 0.00 H new ATOM 0 HE2 TYR A 28 0.317 -7.594 -5.794 1.00 0.00 H new ATOM 0 HH TYR A 28 3.691 -7.018 -5.859 1.00 0.00 H new ATOM 437 N ARG A 29 -2.997 -5.094 -1.981 1.00 0.00 N ATOM 438 CA ARG A 29 -3.531 -6.376 -1.546 1.00 0.00 C ATOM 439 C ARG A 29 -4.788 -6.738 -2.328 1.00 0.00 C ATOM 440 O ARG A 29 -5.524 -5.862 -2.775 1.00 0.00 O ATOM 441 CB ARG A 29 -3.824 -6.335 -0.044 1.00 0.00 C ATOM 442 CG ARG A 29 -4.224 -7.676 0.538 1.00 0.00 C ATOM 443 CD ARG A 29 -4.285 -7.631 2.055 1.00 0.00 C ATOM 444 NE ARG A 29 -4.500 -8.956 2.626 1.00 0.00 N ATOM 445 CZ ARG A 29 -3.737 -9.491 3.578 1.00 0.00 C ATOM 446 NH1 ARG A 29 -2.733 -8.796 4.103 1.00 0.00 N ATOM 447 NH2 ARG A 29 -3.993 -10.715 4.012 1.00 0.00 N ATOM 0 H ARG A 29 -3.701 -4.391 -2.207 1.00 0.00 H new ATOM 0 HA ARG A 29 -2.785 -7.146 -1.740 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -2.940 -5.971 0.479 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -4.622 -5.616 0.142 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -5.196 -7.969 0.143 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -3.510 -8.437 0.224 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -3.357 -7.213 2.444 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -5.090 -6.965 2.367 1.00 0.00 H new ATOM 0 HE ARG A 29 -5.283 -9.507 2.275 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -2.544 -7.848 3.777 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -2.152 -9.210 4.832 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -4.771 -11.244 3.618 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -3.412 -11.130 4.741 1.00 0.00 H new ATOM 461 N PHE A 30 -5.015 -8.032 -2.509 1.00 0.00 N ATOM 462 CA PHE A 30 -6.204 -8.516 -3.204 1.00 0.00 C ATOM 463 C PHE A 30 -7.424 -8.425 -2.295 1.00 0.00 C ATOM 464 O PHE A 30 -7.458 -9.048 -1.232 1.00 0.00 O ATOM 465 CB PHE A 30 -6.017 -9.969 -3.656 1.00 0.00 C ATOM 466 CG PHE A 30 -4.991 -10.156 -4.740 1.00 0.00 C ATOM 467 CD1 PHE A 30 -3.639 -10.210 -4.438 1.00 0.00 C ATOM 468 CD2 PHE A 30 -5.383 -10.286 -6.062 1.00 0.00 C ATOM 469 CE1 PHE A 30 -2.699 -10.388 -5.436 1.00 0.00 C ATOM 470 CE2 PHE A 30 -4.448 -10.464 -7.063 1.00 0.00 C ATOM 471 CZ PHE A 30 -3.104 -10.515 -6.750 1.00 0.00 C ATOM 0 H PHE A 30 -4.390 -8.769 -2.183 1.00 0.00 H new ATOM 0 HA PHE A 30 -6.357 -7.888 -4.082 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -5.730 -10.571 -2.794 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -6.974 -10.353 -4.009 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -3.317 -10.112 -3.412 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -6.433 -10.248 -6.313 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.649 -10.428 -5.188 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -4.768 -10.563 -8.090 1.00 0.00 H new ATOM 0 HZ PHE A 30 -2.371 -10.654 -7.531 1.00 0.00 H new ATOM 481 N VAL A 31 -8.417 -7.648 -2.702 1.00 0.00 N ATOM 482 CA VAL A 31 -9.648 -7.545 -1.930 1.00 0.00 C ATOM 483 C VAL A 31 -10.644 -8.617 -2.355 1.00 0.00 C ATOM 484 O VAL A 31 -11.305 -9.232 -1.518 1.00 0.00 O ATOM 485 CB VAL A 31 -10.315 -6.152 -2.040 1.00 0.00 C ATOM 486 CG1 VAL A 31 -9.494 -5.104 -1.312 1.00 0.00 C ATOM 487 CG2 VAL A 31 -10.516 -5.746 -3.491 1.00 0.00 C ATOM 0 H VAL A 31 -8.397 -7.085 -3.552 1.00 0.00 H new ATOM 0 HA VAL A 31 -9.365 -7.694 -0.888 1.00 0.00 H new ATOM 0 HB VAL A 31 -11.295 -6.220 -1.569 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -9.981 -4.133 -1.402 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -9.413 -5.373 -0.259 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -8.498 -5.052 -1.751 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -10.986 -4.764 -3.532 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -9.550 -5.707 -3.995 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -11.156 -6.476 -3.988 1.00 0.00 H new ATOM 497 N ASP A 32 -10.734 -8.850 -3.656 1.00 0.00 N ATOM 498 CA ASP A 32 -11.674 -9.825 -4.191 1.00 0.00 C ATOM 499 C ASP A 32 -11.290 -10.239 -5.604 1.00 0.00 C ATOM 500 O ASP A 32 -11.557 -9.516 -6.562 1.00 0.00 O ATOM 501 CB ASP A 32 -13.103 -9.263 -4.182 1.00 0.00 C ATOM 502 CG ASP A 32 -14.093 -10.164 -4.900 1.00 0.00 C ATOM 503 OD1 ASP A 32 -14.197 -11.353 -4.542 1.00 0.00 O ATOM 504 OD2 ASP A 32 -14.786 -9.680 -5.820 1.00 0.00 O ATOM 0 H ASP A 32 -10.168 -8.378 -4.361 1.00 0.00 H new ATOM 0 HA ASP A 32 -11.636 -10.706 -3.550 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -13.427 -9.123 -3.151 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -13.105 -8.280 -4.653 1.00 0.00 H new ATOM 509 N ASN A 33 -10.613 -11.379 -5.703 1.00 0.00 N ATOM 510 CA ASN A 33 -10.342 -12.040 -6.981 1.00 0.00 C ATOM 511 C ASN A 33 -9.379 -11.246 -7.870 1.00 0.00 C ATOM 512 O ASN A 33 -8.202 -11.591 -7.971 1.00 0.00 O ATOM 513 CB ASN A 33 -11.660 -12.330 -7.714 1.00 0.00 C ATOM 514 CG ASN A 33 -11.464 -12.993 -9.064 1.00 0.00 C ATOM 515 OD1 ASN A 33 -11.587 -12.217 -10.129 1.00 0.00 O flip ATOM 516 ND2 ASN A 33 -11.254 -14.201 -9.151 1.00 0.00 N flip ATOM 0 H ASN A 33 -10.234 -11.875 -4.896 1.00 0.00 H new ATOM 0 HA ASN A 33 -9.841 -12.982 -6.758 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -12.281 -12.971 -7.089 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -12.204 -11.396 -7.852 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -11.165 -14.765 -8.306 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -11.168 -14.639 -10.068 1.00 0.00 H new ATOM 523 N ASN A 34 -9.864 -10.183 -8.498 1.00 0.00 N ATOM 524 CA ASN A 34 -9.074 -9.465 -9.492 1.00 0.00 C ATOM 525 C ASN A 34 -8.790 -8.032 -9.048 1.00 0.00 C ATOM 526 O ASN A 34 -7.822 -7.413 -9.495 1.00 0.00 O ATOM 527 CB ASN A 34 -9.807 -9.475 -10.836 1.00 0.00 C ATOM 528 CG ASN A 34 -8.975 -8.918 -11.973 1.00 0.00 C ATOM 529 OD1 ASN A 34 -9.025 -7.726 -12.270 1.00 0.00 O ATOM 530 ND2 ASN A 34 -8.220 -9.778 -12.635 1.00 0.00 N ATOM 0 H ASN A 34 -10.796 -9.800 -8.339 1.00 0.00 H new ATOM 0 HA ASN A 34 -8.115 -9.971 -9.600 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -10.100 -10.497 -11.075 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -10.724 -8.893 -10.747 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -7.653 -9.460 -13.421 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -8.204 -10.760 -12.360 1.00 0.00 H new ATOM 537 N GLU A 35 -9.630 -7.507 -8.167 1.00 0.00 N ATOM 538 CA GLU A 35 -9.435 -6.162 -7.648 1.00 0.00 C ATOM 539 C GLU A 35 -8.306 -6.135 -6.618 1.00 0.00 C ATOM 540 O GLU A 35 -8.356 -6.843 -5.605 1.00 0.00 O ATOM 541 CB GLU A 35 -10.725 -5.622 -7.015 1.00 0.00 C ATOM 542 CG GLU A 35 -11.792 -5.178 -8.009 1.00 0.00 C ATOM 543 CD GLU A 35 -12.400 -6.320 -8.799 1.00 0.00 C ATOM 544 OE1 GLU A 35 -12.594 -7.404 -8.222 1.00 0.00 O ATOM 545 OE2 GLU A 35 -12.718 -6.123 -9.991 1.00 0.00 O ATOM 0 H GLU A 35 -10.449 -7.990 -7.798 1.00 0.00 H new ATOM 0 HA GLU A 35 -9.163 -5.523 -8.488 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -11.147 -6.394 -6.372 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -10.472 -4.777 -6.375 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -12.584 -4.658 -7.470 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -11.354 -4.460 -8.703 1.00 0.00 H new ATOM 552 N ILE A 36 -7.290 -5.326 -6.885 1.00 0.00 N ATOM 553 CA ILE A 36 -6.199 -5.128 -5.944 1.00 0.00 C ATOM 554 C ILE A 36 -6.232 -3.703 -5.404 1.00 0.00 C ATOM 555 O ILE A 36 -6.298 -2.738 -6.168 1.00 0.00 O ATOM 556 CB ILE A 36 -4.814 -5.414 -6.573 1.00 0.00 C ATOM 557 CG1 ILE A 36 -4.600 -4.583 -7.842 1.00 0.00 C ATOM 558 CG2 ILE A 36 -4.671 -6.897 -6.874 1.00 0.00 C ATOM 559 CD1 ILE A 36 -3.210 -4.714 -8.427 1.00 0.00 C ATOM 0 H ILE A 36 -7.200 -4.794 -7.751 1.00 0.00 H new ATOM 0 HA ILE A 36 -6.342 -5.841 -5.132 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.047 -5.126 -5.854 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -5.330 -4.886 -8.592 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -4.792 -3.534 -7.616 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.693 -7.086 -7.316 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.768 -7.467 -5.950 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -5.450 -7.203 -7.572 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.133 -4.098 -9.323 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -2.474 -4.383 -7.694 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -3.021 -5.756 -8.686 1.00 0.00 H new ATOM 571 N ASN A 37 -6.207 -3.567 -4.090 1.00 0.00 N ATOM 572 CA ASN A 37 -6.288 -2.256 -3.473 1.00 0.00 C ATOM 573 C ASN A 37 -4.911 -1.791 -3.028 1.00 0.00 C ATOM 574 O ASN A 37 -4.128 -2.567 -2.479 1.00 0.00 O ATOM 575 CB ASN A 37 -7.263 -2.258 -2.278 1.00 0.00 C ATOM 576 CG ASN A 37 -6.650 -2.789 -0.989 1.00 0.00 C ATOM 577 OD1 ASN A 37 -6.609 -3.995 -0.753 1.00 0.00 O ATOM 578 ND2 ASN A 37 -6.201 -1.885 -0.128 1.00 0.00 N ATOM 0 H ASN A 37 -6.132 -4.344 -3.433 1.00 0.00 H new ATOM 0 HA ASN A 37 -6.671 -1.560 -4.220 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -7.619 -1.242 -2.109 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -8.134 -2.863 -2.532 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -5.806 -2.182 0.764 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -6.251 -0.893 -0.358 1.00 0.00 H new ATOM 585 N ILE A 38 -4.606 -0.535 -3.300 1.00 0.00 N ATOM 586 CA ILE A 38 -3.409 0.080 -2.762 1.00 0.00 C ATOM 587 C ILE A 38 -3.725 0.564 -1.358 1.00 0.00 C ATOM 588 O ILE A 38 -4.505 1.501 -1.174 1.00 0.00 O ATOM 589 CB ILE A 38 -2.883 1.253 -3.632 1.00 0.00 C ATOM 590 CG1 ILE A 38 -2.318 0.743 -4.965 1.00 0.00 C ATOM 591 CG2 ILE A 38 -1.810 2.033 -2.885 1.00 0.00 C ATOM 592 CD1 ILE A 38 -3.360 0.228 -5.932 1.00 0.00 C ATOM 0 H ILE A 38 -5.170 0.077 -3.889 1.00 0.00 H new ATOM 0 HA ILE A 38 -2.613 -0.664 -2.754 1.00 0.00 H new ATOM 0 HB ILE A 38 -3.725 1.913 -3.842 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -1.765 1.551 -5.443 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -1.604 -0.055 -4.761 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -1.453 2.851 -3.510 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -2.229 2.437 -1.963 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -0.979 1.370 -2.646 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -2.872 -0.112 -6.846 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -3.899 -0.604 -5.478 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -4.061 1.027 -6.171 1.00 0.00 H new ATOM 604 N ASP A 39 -3.151 -0.111 -0.379 1.00 0.00 N ATOM 605 CA ASP A 39 -3.497 0.112 1.018 1.00 0.00 C ATOM 606 C ASP A 39 -3.031 1.483 1.490 1.00 0.00 C ATOM 607 O ASP A 39 -3.835 2.299 1.942 1.00 0.00 O ATOM 608 CB ASP A 39 -2.882 -0.988 1.886 1.00 0.00 C ATOM 609 CG ASP A 39 -3.314 -0.907 3.336 1.00 0.00 C ATOM 610 OD1 ASP A 39 -2.749 -0.086 4.086 1.00 0.00 O ATOM 611 OD2 ASP A 39 -4.203 -1.680 3.733 1.00 0.00 O ATOM 0 H ASP A 39 -2.437 -0.825 -0.525 1.00 0.00 H new ATOM 0 HA ASP A 39 -4.582 0.080 1.112 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -3.162 -1.961 1.483 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -1.795 -0.921 1.832 1.00 0.00 H new ATOM 616 N HIS A 40 -1.736 1.737 1.380 1.00 0.00 N ATOM 617 CA HIS A 40 -1.179 3.013 1.808 1.00 0.00 C ATOM 618 C HIS A 40 0.064 3.362 1.005 1.00 0.00 C ATOM 619 O HIS A 40 0.779 2.480 0.528 1.00 0.00 O ATOM 620 CB HIS A 40 -0.860 3.005 3.314 1.00 0.00 C ATOM 621 CG HIS A 40 0.087 1.928 3.764 1.00 0.00 C ATOM 622 ND1 HIS A 40 -0.342 0.749 4.330 1.00 0.00 N ATOM 623 CD2 HIS A 40 1.441 1.871 3.769 1.00 0.00 C ATOM 624 CE1 HIS A 40 0.699 0.018 4.666 1.00 0.00 C ATOM 625 NE2 HIS A 40 1.794 0.671 4.336 1.00 0.00 N ATOM 0 H HIS A 40 -1.053 1.081 1.000 1.00 0.00 H new ATOM 0 HA HIS A 40 -1.933 3.778 1.624 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -0.438 3.973 3.584 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -1.794 2.899 3.866 1.00 0.00 H new ATOM 0 HD1 HIS A 40 -1.317 0.483 4.468 1.00 0.00 H new ATOM 0 HD2 HIS A 40 2.116 2.628 3.397 1.00 0.00 H new ATOM 0 HE1 HIS A 40 0.662 -0.955 5.134 1.00 0.00 H new ATOM 634 N THR A 41 0.307 4.654 0.855 1.00 0.00 N ATOM 635 CA THR A 41 1.477 5.140 0.154 1.00 0.00 C ATOM 636 C THR A 41 2.374 5.912 1.114 1.00 0.00 C ATOM 637 O THR A 41 2.017 6.997 1.576 1.00 0.00 O ATOM 638 CB THR A 41 1.070 6.041 -1.024 1.00 0.00 C ATOM 639 OG1 THR A 41 0.031 5.403 -1.777 1.00 0.00 O ATOM 640 CG2 THR A 41 2.261 6.321 -1.929 1.00 0.00 C ATOM 0 H THR A 41 -0.300 5.390 1.215 1.00 0.00 H new ATOM 0 HA THR A 41 2.025 4.284 -0.240 1.00 0.00 H new ATOM 0 HB THR A 41 0.709 6.990 -0.627 1.00 0.00 H new ATOM 0 HG1 THR A 41 -0.818 5.478 -1.293 1.00 0.00 H new ATOM 0 HG21 THR A 41 1.948 6.960 -2.755 1.00 0.00 H new ATOM 0 HG22 THR A 41 3.042 6.823 -1.358 1.00 0.00 H new ATOM 0 HG23 THR A 41 2.647 5.381 -2.324 1.00 0.00 H new ATOM 648 N GLY A 42 3.527 5.344 1.419 1.00 0.00 N ATOM 649 CA GLY A 42 4.423 5.951 2.377 1.00 0.00 C ATOM 650 C GLY A 42 5.626 6.585 1.717 1.00 0.00 C ATOM 651 O GLY A 42 6.697 5.982 1.651 1.00 0.00 O ATOM 0 H GLY A 42 3.861 4.468 1.018 1.00 0.00 H new ATOM 0 HA2 GLY A 42 3.883 6.707 2.947 1.00 0.00 H new ATOM 0 HA3 GLY A 42 4.758 5.195 3.088 1.00 0.00 H new ATOM 655 N VAL A 43 5.449 7.791 1.206 1.00 0.00 N ATOM 656 CA VAL A 43 6.553 8.537 0.623 1.00 0.00 C ATOM 657 C VAL A 43 7.169 9.442 1.682 1.00 0.00 C ATOM 658 O VAL A 43 6.463 10.227 2.319 1.00 0.00 O ATOM 659 CB VAL A 43 6.095 9.388 -0.581 1.00 0.00 C ATOM 660 CG1 VAL A 43 7.276 10.115 -1.211 1.00 0.00 C ATOM 661 CG2 VAL A 43 5.389 8.521 -1.612 1.00 0.00 C ATOM 0 H VAL A 43 4.552 8.275 1.182 1.00 0.00 H new ATOM 0 HA VAL A 43 7.291 7.820 0.264 1.00 0.00 H new ATOM 0 HB VAL A 43 5.389 10.136 -0.219 1.00 0.00 H new ATOM 0 HG11 VAL A 43 6.929 10.708 -2.057 1.00 0.00 H new ATOM 0 HG12 VAL A 43 7.735 10.771 -0.472 1.00 0.00 H new ATOM 0 HG13 VAL A 43 8.010 9.386 -1.555 1.00 0.00 H new ATOM 0 HG21 VAL A 43 5.074 9.139 -2.453 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.071 7.748 -1.966 1.00 0.00 H new ATOM 0 HG23 VAL A 43 4.515 8.054 -1.158 1.00 0.00 H new ATOM 671 N SER A 44 8.471 9.317 1.879 1.00 0.00 N ATOM 672 CA SER A 44 9.164 10.094 2.894 1.00 0.00 C ATOM 673 C SER A 44 9.171 11.580 2.539 1.00 0.00 C ATOM 674 O SER A 44 9.152 11.956 1.363 1.00 0.00 O ATOM 675 CB SER A 44 10.599 9.584 3.063 1.00 0.00 C ATOM 676 OG SER A 44 11.326 9.688 1.850 1.00 0.00 O ATOM 0 H SER A 44 9.070 8.684 1.349 1.00 0.00 H new ATOM 0 HA SER A 44 8.630 9.973 3.837 1.00 0.00 H new ATOM 0 HB2 SER A 44 11.102 10.157 3.842 1.00 0.00 H new ATOM 0 HB3 SER A 44 10.582 8.545 3.392 1.00 0.00 H new ATOM 0 HG SER A 44 12.240 9.987 2.041 1.00 0.00 H new ATOM 766 N VAL A 52 9.215 9.476 -7.637 1.00 0.00 N ATOM 767 CA VAL A 52 9.522 8.175 -7.061 1.00 0.00 C ATOM 768 C VAL A 52 8.236 7.388 -6.839 1.00 0.00 C ATOM 769 O VAL A 52 8.179 6.183 -7.081 1.00 0.00 O ATOM 770 CB VAL A 52 10.279 8.313 -5.720 1.00 0.00 C ATOM 771 CG1 VAL A 52 10.650 6.951 -5.157 1.00 0.00 C ATOM 772 CG2 VAL A 52 11.521 9.170 -5.898 1.00 0.00 C ATOM 0 HA VAL A 52 10.165 7.644 -7.763 1.00 0.00 H new ATOM 0 HB VAL A 52 9.615 8.802 -5.007 1.00 0.00 H new ATOM 0 HG11 VAL A 52 11.181 7.080 -4.214 1.00 0.00 H new ATOM 0 HG12 VAL A 52 9.744 6.369 -4.987 1.00 0.00 H new ATOM 0 HG13 VAL A 52 11.291 6.427 -5.866 1.00 0.00 H new ATOM 0 HG21 VAL A 52 12.042 9.257 -4.945 1.00 0.00 H new ATOM 0 HG22 VAL A 52 12.181 8.707 -6.631 1.00 0.00 H new ATOM 0 HG23 VAL A 52 11.232 10.162 -6.246 1.00 0.00 H new ATOM 782 N GLY A 53 7.198 8.094 -6.404 1.00 0.00 N ATOM 783 CA GLY A 53 5.904 7.471 -6.209 1.00 0.00 C ATOM 784 C GLY A 53 5.307 6.983 -7.514 1.00 0.00 C ATOM 785 O GLY A 53 4.628 5.956 -7.548 1.00 0.00 O ATOM 0 H GLY A 53 7.231 9.089 -6.183 1.00 0.00 H new ATOM 0 HA2 GLY A 53 6.005 6.632 -5.520 1.00 0.00 H new ATOM 0 HA3 GLY A 53 5.224 8.185 -5.744 1.00 0.00 H new ATOM 789 N LYS A 54 5.579 7.711 -8.593 1.00 0.00 N ATOM 790 CA LYS A 54 5.087 7.335 -9.908 1.00 0.00 C ATOM 791 C LYS A 54 5.760 6.053 -10.377 1.00 0.00 C ATOM 792 O LYS A 54 5.132 5.210 -11.009 1.00 0.00 O ATOM 793 CB LYS A 54 5.320 8.456 -10.929 1.00 0.00 C ATOM 794 CG LYS A 54 4.819 8.102 -12.319 1.00 0.00 C ATOM 795 CD LYS A 54 4.947 9.252 -13.302 1.00 0.00 C ATOM 796 CE LYS A 54 4.320 8.885 -14.640 1.00 0.00 C ATOM 797 NZ LYS A 54 4.299 10.029 -15.589 1.00 0.00 N ATOM 0 H LYS A 54 6.138 8.564 -8.579 1.00 0.00 H new ATOM 0 HA LYS A 54 4.013 7.166 -9.829 1.00 0.00 H new ATOM 0 HB2 LYS A 54 4.819 9.362 -10.587 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.386 8.680 -10.978 1.00 0.00 H new ATOM 0 HG2 LYS A 54 5.379 7.245 -12.694 1.00 0.00 H new ATOM 0 HG3 LYS A 54 3.774 7.798 -12.257 1.00 0.00 H new ATOM 0 HD2 LYS A 54 4.460 10.139 -12.897 1.00 0.00 H new ATOM 0 HD3 LYS A 54 5.999 9.502 -13.443 1.00 0.00 H new ATOM 0 HE2 LYS A 54 4.875 8.059 -15.084 1.00 0.00 H new ATOM 0 HE3 LYS A 54 3.301 8.533 -14.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 4.207 9.672 -16.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 3.492 10.647 -15.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 5.183 10.569 -15.501 1.00 0.00 H new ATOM 811 N LYS A 55 7.037 5.902 -10.049 1.00 0.00 N ATOM 812 CA LYS A 55 7.784 4.714 -10.435 1.00 0.00 C ATOM 813 C LYS A 55 7.368 3.515 -9.587 1.00 0.00 C ATOM 814 O LYS A 55 7.404 2.377 -10.053 1.00 0.00 O ATOM 815 CB LYS A 55 9.291 4.965 -10.340 1.00 0.00 C ATOM 816 CG LYS A 55 9.763 6.051 -11.294 1.00 0.00 C ATOM 817 CD LYS A 55 11.277 6.118 -11.387 1.00 0.00 C ATOM 818 CE LYS A 55 11.711 7.158 -12.407 1.00 0.00 C ATOM 819 NZ LYS A 55 13.160 7.067 -12.713 1.00 0.00 N ATOM 0 H LYS A 55 7.575 6.586 -9.518 1.00 0.00 H new ATOM 0 HA LYS A 55 7.550 4.485 -11.475 1.00 0.00 H new ATOM 0 HB2 LYS A 55 9.545 5.248 -9.318 1.00 0.00 H new ATOM 0 HB3 LYS A 55 9.824 4.039 -10.556 1.00 0.00 H new ATOM 0 HG2 LYS A 55 9.348 5.866 -12.285 1.00 0.00 H new ATOM 0 HG3 LYS A 55 9.379 7.015 -10.962 1.00 0.00 H new ATOM 0 HD2 LYS A 55 11.695 6.363 -10.411 1.00 0.00 H new ATOM 0 HD3 LYS A 55 11.672 5.141 -11.667 1.00 0.00 H new ATOM 0 HE2 LYS A 55 11.138 7.027 -13.325 1.00 0.00 H new ATOM 0 HE3 LYS A 55 11.482 8.154 -12.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 13.413 7.794 -13.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 13.709 7.218 -11.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 13.375 6.125 -13.099 1.00 0.00 H new ATOM 833 N LEU A 56 6.957 3.777 -8.350 1.00 0.00 N ATOM 834 CA LEU A 56 6.372 2.735 -7.512 1.00 0.00 C ATOM 835 C LEU A 56 5.064 2.258 -8.122 1.00 0.00 C ATOM 836 O LEU A 56 4.849 1.059 -8.313 1.00 0.00 O ATOM 837 CB LEU A 56 6.110 3.251 -6.096 1.00 0.00 C ATOM 838 CG LEU A 56 7.346 3.449 -5.223 1.00 0.00 C ATOM 839 CD1 LEU A 56 6.938 4.006 -3.871 1.00 0.00 C ATOM 840 CD2 LEU A 56 8.101 2.139 -5.055 1.00 0.00 C ATOM 0 H LEU A 56 7.017 4.694 -7.908 1.00 0.00 H new ATOM 0 HA LEU A 56 7.080 1.908 -7.456 1.00 0.00 H new ATOM 0 HB2 LEU A 56 5.583 4.202 -6.168 1.00 0.00 H new ATOM 0 HB3 LEU A 56 5.441 2.553 -5.593 1.00 0.00 H new ATOM 0 HG LEU A 56 8.011 4.161 -5.712 1.00 0.00 H new ATOM 0 HD11 LEU A 56 7.825 4.145 -3.252 1.00 0.00 H new ATOM 0 HD12 LEU A 56 6.437 4.964 -4.008 1.00 0.00 H new ATOM 0 HD13 LEU A 56 6.259 3.309 -3.380 1.00 0.00 H new ATOM 0 HD21 LEU A 56 8.979 2.302 -4.429 1.00 0.00 H new ATOM 0 HD22 LEU A 56 7.451 1.402 -4.583 1.00 0.00 H new ATOM 0 HD23 LEU A 56 8.415 1.772 -6.032 1.00 0.00 H new ATOM 852 N LEU A 57 4.199 3.212 -8.440 1.00 0.00 N ATOM 853 CA LEU A 57 2.916 2.911 -9.049 1.00 0.00 C ATOM 854 C LEU A 57 3.116 2.291 -10.427 1.00 0.00 C ATOM 855 O LEU A 57 2.328 1.460 -10.854 1.00 0.00 O ATOM 856 CB LEU A 57 2.066 4.180 -9.150 1.00 0.00 C ATOM 857 CG LEU A 57 0.627 3.968 -9.633 1.00 0.00 C ATOM 858 CD1 LEU A 57 -0.126 3.037 -8.691 1.00 0.00 C ATOM 859 CD2 LEU A 57 -0.095 5.301 -9.752 1.00 0.00 C ATOM 0 H LEU A 57 4.367 4.206 -8.284 1.00 0.00 H new ATOM 0 HA LEU A 57 2.391 2.192 -8.420 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.036 4.657 -8.170 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.561 4.876 -9.828 1.00 0.00 H new ATOM 0 HG LEU A 57 0.662 3.503 -10.618 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.145 2.900 -9.052 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.378 2.071 -8.654 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.151 3.472 -7.692 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.115 5.133 -10.096 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.116 5.791 -8.779 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.429 5.936 -10.467 1.00 0.00 H new ATOM 871 N LYS A 58 4.184 2.695 -11.106 1.00 0.00 N ATOM 872 CA LYS A 58 4.538 2.141 -12.410 1.00 0.00 C ATOM 873 C LYS A 58 4.654 0.623 -12.340 1.00 0.00 C ATOM 874 O LYS A 58 4.086 -0.090 -13.168 1.00 0.00 O ATOM 875 CB LYS A 58 5.868 2.733 -12.886 1.00 0.00 C ATOM 876 CG LYS A 58 6.379 2.148 -14.196 1.00 0.00 C ATOM 877 CD LYS A 58 7.832 2.519 -14.435 1.00 0.00 C ATOM 878 CE LYS A 58 8.374 1.895 -15.714 1.00 0.00 C ATOM 879 NZ LYS A 58 8.160 0.421 -15.759 1.00 0.00 N ATOM 0 H LYS A 58 4.827 3.412 -10.771 1.00 0.00 H new ATOM 0 HA LYS A 58 3.749 2.400 -13.116 1.00 0.00 H new ATOM 0 HB2 LYS A 58 5.752 3.810 -13.003 1.00 0.00 H new ATOM 0 HB3 LYS A 58 6.620 2.576 -12.113 1.00 0.00 H new ATOM 0 HG2 LYS A 58 6.277 1.063 -14.177 1.00 0.00 H new ATOM 0 HG3 LYS A 58 5.768 2.511 -15.022 1.00 0.00 H new ATOM 0 HD2 LYS A 58 7.925 3.603 -14.492 1.00 0.00 H new ATOM 0 HD3 LYS A 58 8.434 2.192 -13.588 1.00 0.00 H new ATOM 0 HE2 LYS A 58 7.890 2.357 -16.574 1.00 0.00 H new ATOM 0 HE3 LYS A 58 9.440 2.108 -15.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 8.729 0.011 -16.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 8.448 0.001 -14.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 7.154 0.221 -15.929 1.00 0.00 H new ATOM 893 N ALA A 59 5.384 0.140 -11.342 1.00 0.00 N ATOM 894 CA ALA A 59 5.586 -1.291 -11.158 1.00 0.00 C ATOM 895 C ALA A 59 4.259 -1.999 -10.920 1.00 0.00 C ATOM 896 O ALA A 59 4.008 -3.074 -11.469 1.00 0.00 O ATOM 897 CB ALA A 59 6.533 -1.546 -9.997 1.00 0.00 C ATOM 0 H ALA A 59 5.848 0.722 -10.645 1.00 0.00 H new ATOM 0 HA ALA A 59 6.030 -1.692 -12.069 1.00 0.00 H new ATOM 0 HB1 ALA A 59 6.674 -2.620 -9.872 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.494 -1.075 -10.201 1.00 0.00 H new ATOM 0 HB3 ALA A 59 6.110 -1.127 -9.084 1.00 0.00 H new ATOM 903 N VAL A 60 3.411 -1.383 -10.105 1.00 0.00 N ATOM 904 CA VAL A 60 2.098 -1.937 -9.812 1.00 0.00 C ATOM 905 C VAL A 60 1.232 -1.957 -11.068 1.00 0.00 C ATOM 906 O VAL A 60 0.625 -2.973 -11.390 1.00 0.00 O ATOM 907 CB VAL A 60 1.381 -1.136 -8.704 1.00 0.00 C ATOM 908 CG1 VAL A 60 0.052 -1.782 -8.337 1.00 0.00 C ATOM 909 CG2 VAL A 60 2.272 -1.009 -7.479 1.00 0.00 C ATOM 0 H VAL A 60 3.611 -0.500 -9.636 1.00 0.00 H new ATOM 0 HA VAL A 60 2.247 -2.957 -9.459 1.00 0.00 H new ATOM 0 HB VAL A 60 1.174 -0.137 -9.087 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.433 -1.198 -7.554 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.591 -1.815 -9.216 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.227 -2.796 -7.977 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.751 -0.442 -6.708 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.512 -2.002 -7.099 1.00 0.00 H new ATOM 0 HG23 VAL A 60 3.192 -0.492 -7.751 1.00 0.00 H new ATOM 919 N VAL A 61 1.206 -0.837 -11.780 1.00 0.00 N ATOM 920 CA VAL A 61 0.405 -0.697 -12.992 1.00 0.00 C ATOM 921 C VAL A 61 0.854 -1.675 -14.074 1.00 0.00 C ATOM 922 O VAL A 61 0.027 -2.323 -14.712 1.00 0.00 O ATOM 923 CB VAL A 61 0.467 0.748 -13.546 1.00 0.00 C ATOM 924 CG1 VAL A 61 -0.190 0.843 -14.917 1.00 0.00 C ATOM 925 CG2 VAL A 61 -0.194 1.717 -12.576 1.00 0.00 C ATOM 0 H VAL A 61 1.738 -0.002 -11.535 1.00 0.00 H new ATOM 0 HA VAL A 61 -0.625 -0.926 -12.717 1.00 0.00 H new ATOM 0 HB VAL A 61 1.517 1.019 -13.656 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.130 1.869 -15.279 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.325 0.182 -15.614 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -1.236 0.546 -14.841 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.142 2.728 -12.980 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.238 1.436 -12.435 1.00 0.00 H new ATOM 0 HG23 VAL A 61 0.324 1.682 -11.617 1.00 0.00 H new ATOM 935 N GLU A 62 2.161 -1.793 -14.265 1.00 0.00 N ATOM 936 CA GLU A 62 2.701 -2.674 -15.291 1.00 0.00 C ATOM 937 C GLU A 62 2.398 -4.133 -14.959 1.00 0.00 C ATOM 938 O GLU A 62 1.982 -4.903 -15.825 1.00 0.00 O ATOM 939 CB GLU A 62 4.208 -2.445 -15.452 1.00 0.00 C ATOM 940 CG GLU A 62 4.844 -3.285 -16.548 1.00 0.00 C ATOM 941 CD GLU A 62 6.153 -2.709 -17.046 1.00 0.00 C ATOM 942 OE1 GLU A 62 7.081 -2.524 -16.234 1.00 0.00 O ATOM 943 OE2 GLU A 62 6.260 -2.433 -18.262 1.00 0.00 O ATOM 0 H GLU A 62 2.865 -1.291 -13.724 1.00 0.00 H new ATOM 0 HA GLU A 62 2.220 -2.440 -16.241 1.00 0.00 H new ATOM 0 HB2 GLU A 62 4.385 -1.391 -15.667 1.00 0.00 H new ATOM 0 HB3 GLU A 62 4.702 -2.665 -14.506 1.00 0.00 H new ATOM 0 HG2 GLU A 62 5.016 -4.294 -16.172 1.00 0.00 H new ATOM 0 HG3 GLU A 62 4.149 -3.370 -17.383 1.00 0.00 H new ATOM 950 N HIS A 63 2.568 -4.499 -13.692 1.00 0.00 N ATOM 951 CA HIS A 63 2.306 -5.863 -13.248 1.00 0.00 C ATOM 952 C HIS A 63 0.800 -6.132 -13.206 1.00 0.00 C ATOM 953 O HIS A 63 0.354 -7.278 -13.311 1.00 0.00 O ATOM 954 CB HIS A 63 2.945 -6.094 -11.874 1.00 0.00 C ATOM 955 CG HIS A 63 2.920 -7.519 -11.401 1.00 0.00 C ATOM 956 ND1 HIS A 63 3.474 -8.563 -12.109 1.00 0.00 N ATOM 957 CD2 HIS A 63 2.419 -8.065 -10.267 1.00 0.00 C ATOM 958 CE1 HIS A 63 3.318 -9.683 -11.431 1.00 0.00 C ATOM 959 NE2 HIS A 63 2.681 -9.411 -10.310 1.00 0.00 N ATOM 0 H HIS A 63 2.886 -3.870 -12.955 1.00 0.00 H new ATOM 0 HA HIS A 63 2.750 -6.561 -13.958 1.00 0.00 H new ATOM 0 HB2 HIS A 63 3.980 -5.755 -11.909 1.00 0.00 H new ATOM 0 HB3 HIS A 63 2.431 -5.473 -11.140 1.00 0.00 H new ATOM 0 HD1 HIS A 63 3.933 -8.482 -13.016 1.00 0.00 H new ATOM 0 HD2 HIS A 63 1.908 -7.538 -9.475 1.00 0.00 H new ATOM 0 HE1 HIS A 63 3.656 -10.660 -11.742 1.00 0.00 H new ATOM 968 N ALA A 64 0.020 -5.067 -13.055 1.00 0.00 N ATOM 969 CA ALA A 64 -1.432 -5.171 -13.097 1.00 0.00 C ATOM 970 C ALA A 64 -1.908 -5.357 -14.528 1.00 0.00 C ATOM 971 O ALA A 64 -2.781 -6.170 -14.791 1.00 0.00 O ATOM 972 CB ALA A 64 -2.088 -3.949 -12.477 1.00 0.00 C ATOM 0 H ALA A 64 0.371 -4.121 -12.902 1.00 0.00 H new ATOM 0 HA ALA A 64 -1.724 -6.043 -12.512 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -3.172 -4.055 -12.523 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.776 -3.857 -11.437 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.787 -3.057 -13.026 1.00 0.00 H new ATOM 978 N ARG A 65 -1.329 -4.596 -15.448 1.00 0.00 N ATOM 979 CA ARG A 65 -1.592 -4.776 -16.873 1.00 0.00 C ATOM 980 C ARG A 65 -1.196 -6.186 -17.292 1.00 0.00 C ATOM 981 O ARG A 65 -1.921 -6.860 -18.026 1.00 0.00 O ATOM 982 CB ARG A 65 -0.811 -3.738 -17.691 1.00 0.00 C ATOM 983 CG ARG A 65 -0.798 -4.009 -19.187 1.00 0.00 C ATOM 984 CD ARG A 65 0.095 -3.025 -19.929 1.00 0.00 C ATOM 985 NE ARG A 65 -0.543 -1.722 -20.122 1.00 0.00 N ATOM 986 CZ ARG A 65 0.124 -0.568 -20.236 1.00 0.00 C ATOM 987 NH1 ARG A 65 1.443 -0.533 -20.083 1.00 0.00 N ATOM 988 NH2 ARG A 65 -0.529 0.552 -20.505 1.00 0.00 N ATOM 0 H ARG A 65 -0.672 -3.846 -15.234 1.00 0.00 H new ATOM 0 HA ARG A 65 -2.656 -4.634 -17.061 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -1.243 -2.753 -17.515 1.00 0.00 H new ATOM 0 HB3 ARG A 65 0.217 -3.705 -17.330 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -0.450 -5.026 -19.370 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -1.814 -3.945 -19.577 1.00 0.00 H new ATOM 0 HD2 ARG A 65 1.023 -2.892 -19.374 1.00 0.00 H new ATOM 0 HD3 ARG A 65 0.361 -3.442 -20.900 1.00 0.00 H new ATOM 0 HE ARG A 65 -1.561 -1.692 -20.173 1.00 0.00 H new ATOM 0 HH11 ARG A 65 1.955 -1.391 -19.877 1.00 0.00 H new ATOM 0 HH12 ARG A 65 1.943 0.351 -20.172 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -1.542 0.536 -20.626 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -0.019 1.431 -20.592 1.00 0.00 H new ATOM 1002 N GLU A 66 -0.049 -6.615 -16.782 1.00 0.00 N ATOM 1003 CA GLU A 66 0.486 -7.951 -17.016 1.00 0.00 C ATOM 1004 C GLU A 66 -0.561 -9.034 -16.743 1.00 0.00 C ATOM 1005 O GLU A 66 -0.767 -9.932 -17.560 1.00 0.00 O ATOM 1006 CB GLU A 66 1.693 -8.156 -16.097 1.00 0.00 C ATOM 1007 CG GLU A 66 2.376 -9.504 -16.238 1.00 0.00 C ATOM 1008 CD GLU A 66 3.223 -9.840 -15.027 1.00 0.00 C ATOM 1009 OE1 GLU A 66 4.070 -9.010 -14.635 1.00 0.00 O ATOM 1010 OE2 GLU A 66 3.027 -10.929 -14.444 1.00 0.00 O ATOM 0 H GLU A 66 0.544 -6.038 -16.186 1.00 0.00 H new ATOM 0 HA GLU A 66 0.778 -8.035 -18.063 1.00 0.00 H new ATOM 0 HB2 GLU A 66 2.423 -7.372 -16.298 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.370 -8.034 -15.063 1.00 0.00 H new ATOM 0 HG2 GLU A 66 1.623 -10.279 -16.380 1.00 0.00 H new ATOM 0 HG3 GLU A 66 3.003 -9.501 -17.130 1.00 0.00 H new ATOM 1017 N ASN A 67 -1.234 -8.932 -15.601 1.00 0.00 N ATOM 1018 CA ASN A 67 -2.171 -9.968 -15.173 1.00 0.00 C ATOM 1019 C ASN A 67 -3.621 -9.514 -15.306 1.00 0.00 C ATOM 1020 O ASN A 67 -4.535 -10.213 -14.871 1.00 0.00 O ATOM 1021 CB ASN A 67 -1.884 -10.374 -13.724 1.00 0.00 C ATOM 1022 CG ASN A 67 -0.539 -11.055 -13.572 1.00 0.00 C ATOM 1023 OD1 ASN A 67 -0.431 -12.277 -13.675 1.00 0.00 O ATOM 1024 ND2 ASN A 67 0.501 -10.272 -13.318 1.00 0.00 N ATOM 0 H ASN A 67 -1.149 -8.146 -14.957 1.00 0.00 H new ATOM 0 HA ASN A 67 -2.030 -10.827 -15.828 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -1.914 -9.489 -13.088 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -2.669 -11.044 -13.375 1.00 0.00 H new ATOM 0 HD21 ASN A 67 1.429 -10.679 -13.201 1.00 0.00 H new ATOM 0 HD22 ASN A 67 0.373 -9.263 -13.240 1.00 0.00 H new ATOM 1031 N ASN A 68 -3.823 -8.346 -15.913 1.00 0.00 N ATOM 1032 CA ASN A 68 -5.166 -7.781 -16.096 1.00 0.00 C ATOM 1033 C ASN A 68 -5.892 -7.632 -14.762 1.00 0.00 C ATOM 1034 O ASN A 68 -6.939 -8.242 -14.544 1.00 0.00 O ATOM 1035 CB ASN A 68 -6.004 -8.643 -17.049 1.00 0.00 C ATOM 1036 CG ASN A 68 -5.771 -8.328 -18.515 1.00 0.00 C ATOM 1037 OD1 ASN A 68 -4.577 -7.871 -18.860 1.00 0.00 O flip ATOM 1038 ND2 ASN A 68 -6.669 -8.502 -19.339 1.00 0.00 N flip ATOM 0 H ASN A 68 -3.072 -7.767 -16.289 1.00 0.00 H new ATOM 0 HA ASN A 68 -5.041 -6.792 -16.536 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -5.776 -9.694 -16.871 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -7.060 -8.503 -16.819 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -7.577 -8.856 -19.037 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -6.505 -8.293 -20.324 1.00 0.00 H new ATOM 1045 N LEU A 69 -5.331 -6.822 -13.878 1.00 0.00 N ATOM 1046 CA LEU A 69 -5.894 -6.630 -12.545 1.00 0.00 C ATOM 1047 C LEU A 69 -6.548 -5.258 -12.420 1.00 0.00 C ATOM 1048 O LEU A 69 -6.231 -4.339 -13.178 1.00 0.00 O ATOM 1049 CB LEU A 69 -4.799 -6.779 -11.485 1.00 0.00 C ATOM 1050 CG LEU A 69 -4.109 -8.142 -11.445 1.00 0.00 C ATOM 1051 CD1 LEU A 69 -2.955 -8.128 -10.452 1.00 0.00 C ATOM 1052 CD2 LEU A 69 -5.106 -9.236 -11.089 1.00 0.00 C ATOM 0 H LEU A 69 -4.483 -6.284 -14.058 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.657 -7.392 -12.387 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -4.043 -6.013 -11.657 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -5.235 -6.582 -10.506 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.707 -8.352 -12.436 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -2.476 -9.107 -10.437 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -2.228 -7.373 -10.750 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -3.334 -7.895 -9.457 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -4.596 -10.199 -11.065 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.538 -9.030 -10.110 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -5.899 -9.263 -11.837 1.00 0.00 H new ATOM 1064 N LYS A 70 -7.460 -5.129 -11.465 1.00 0.00 N ATOM 1065 CA LYS A 70 -8.138 -3.860 -11.209 1.00 0.00 C ATOM 1066 C LYS A 70 -7.386 -3.076 -10.145 1.00 0.00 C ATOM 1067 O LYS A 70 -7.288 -3.526 -9.003 1.00 0.00 O ATOM 1068 CB LYS A 70 -9.563 -4.104 -10.707 1.00 0.00 C ATOM 1069 CG LYS A 70 -10.363 -5.098 -11.525 1.00 0.00 C ATOM 1070 CD LYS A 70 -10.877 -4.509 -12.822 1.00 0.00 C ATOM 1071 CE LYS A 70 -11.784 -5.501 -13.532 1.00 0.00 C ATOM 1072 NZ LYS A 70 -12.952 -5.895 -12.690 1.00 0.00 N ATOM 0 H LYS A 70 -7.750 -5.890 -10.851 1.00 0.00 H new ATOM 0 HA LYS A 70 -8.168 -3.299 -12.143 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -9.515 -4.458 -9.677 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -10.096 -3.153 -10.693 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -9.740 -5.965 -11.746 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -11.206 -5.454 -10.933 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -11.423 -3.588 -12.619 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -10.039 -4.247 -13.467 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -12.141 -5.063 -14.464 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -11.212 -6.390 -13.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -13.571 -6.532 -13.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -12.615 -6.382 -11.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -13.485 -5.045 -12.416 1.00 0.00 H new ATOM 1086 N ILE A 71 -6.861 -1.916 -10.501 1.00 0.00 N ATOM 1087 CA ILE A 71 -6.162 -1.090 -9.528 1.00 0.00 C ATOM 1088 C ILE A 71 -7.107 -0.086 -8.872 1.00 0.00 C ATOM 1089 O ILE A 71 -7.628 0.825 -9.520 1.00 0.00 O ATOM 1090 CB ILE A 71 -4.956 -0.359 -10.156 1.00 0.00 C ATOM 1091 CG1 ILE A 71 -3.850 -1.371 -10.472 1.00 0.00 C ATOM 1092 CG2 ILE A 71 -4.437 0.739 -9.234 1.00 0.00 C ATOM 1093 CD1 ILE A 71 -2.563 -0.738 -10.946 1.00 0.00 C ATOM 0 H ILE A 71 -6.903 -1.527 -11.443 1.00 0.00 H new ATOM 0 HA ILE A 71 -5.783 -1.762 -8.758 1.00 0.00 H new ATOM 0 HB ILE A 71 -5.279 0.117 -11.082 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -3.646 -1.963 -9.580 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -4.208 -2.060 -11.237 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -3.588 1.236 -9.703 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -5.229 1.466 -9.053 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -4.123 0.300 -8.287 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.828 -1.517 -11.150 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -2.751 -0.169 -11.857 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -2.180 -0.071 -10.174 1.00 0.00 H new ATOM 1105 N ILE A 72 -7.340 -0.285 -7.582 1.00 0.00 N ATOM 1106 CA ILE A 72 -8.145 0.630 -6.789 1.00 0.00 C ATOM 1107 C ILE A 72 -7.365 1.083 -5.560 1.00 0.00 C ATOM 1108 O ILE A 72 -6.956 0.274 -4.732 1.00 0.00 O ATOM 1109 CB ILE A 72 -9.489 -0.006 -6.359 1.00 0.00 C ATOM 1110 CG1 ILE A 72 -9.274 -1.440 -5.858 1.00 0.00 C ATOM 1111 CG2 ILE A 72 -10.482 0.023 -7.510 1.00 0.00 C ATOM 1112 CD1 ILE A 72 -10.554 -2.147 -5.471 1.00 0.00 C ATOM 0 H ILE A 72 -6.978 -1.082 -7.059 1.00 0.00 H new ATOM 0 HA ILE A 72 -8.374 1.493 -7.414 1.00 0.00 H new ATOM 0 HB ILE A 72 -9.901 0.580 -5.537 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -8.772 -2.016 -6.636 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -8.607 -1.418 -4.997 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -11.422 -0.428 -7.191 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -10.659 1.055 -7.812 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -10.078 -0.538 -8.353 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -10.323 -3.155 -5.127 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -11.047 -1.595 -4.671 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -11.215 -2.201 -6.336 1.00 0.00 H new ATOM 1124 N ALA A 73 -7.134 2.376 -5.458 1.00 0.00 N ATOM 1125 CA ALA A 73 -6.340 2.917 -4.370 1.00 0.00 C ATOM 1126 C ALA A 73 -7.222 3.322 -3.197 1.00 0.00 C ATOM 1127 O ALA A 73 -8.149 4.118 -3.353 1.00 0.00 O ATOM 1128 CB ALA A 73 -5.525 4.103 -4.864 1.00 0.00 C ATOM 0 H ALA A 73 -7.484 3.073 -6.115 1.00 0.00 H new ATOM 0 HA ALA A 73 -5.659 2.141 -4.020 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -4.932 4.504 -4.042 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -4.862 3.780 -5.667 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -6.197 4.876 -5.237 1.00 0.00 H new ATOM 1134 N SER A 74 -6.943 2.754 -2.030 1.00 0.00 N ATOM 1135 CA SER A 74 -7.647 3.128 -0.815 1.00 0.00 C ATOM 1136 C SER A 74 -7.152 4.485 -0.333 1.00 0.00 C ATOM 1137 O SER A 74 -7.925 5.308 0.156 1.00 0.00 O ATOM 1138 CB SER A 74 -7.433 2.073 0.273 1.00 0.00 C ATOM 1139 OG SER A 74 -7.922 0.800 -0.128 1.00 0.00 O ATOM 0 H SER A 74 -6.233 2.033 -1.902 1.00 0.00 H new ATOM 0 HA SER A 74 -8.714 3.190 -1.030 1.00 0.00 H new ATOM 0 HB2 SER A 74 -6.370 1.999 0.504 1.00 0.00 H new ATOM 0 HB3 SER A 74 -7.937 2.385 1.187 1.00 0.00 H new ATOM 0 HG SER A 74 -7.768 0.150 0.589 1.00 0.00 H new ATOM 1145 N CYS A 75 -5.853 4.711 -0.489 1.00 0.00 N ATOM 1146 CA CYS A 75 -5.252 5.981 -0.129 1.00 0.00 C ATOM 1147 C CYS A 75 -5.508 7.023 -1.215 1.00 0.00 C ATOM 1148 O CYS A 75 -5.307 6.764 -2.406 1.00 0.00 O ATOM 1149 CB CYS A 75 -3.755 5.796 0.122 1.00 0.00 C ATOM 1150 SG CYS A 75 -2.912 4.825 -1.147 1.00 0.00 S ATOM 0 H CYS A 75 -5.197 4.026 -0.864 1.00 0.00 H new ATOM 0 HA CYS A 75 -5.711 6.344 0.791 1.00 0.00 H new ATOM 0 HB2 CYS A 75 -3.284 6.777 0.187 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -3.616 5.311 1.088 1.00 0.00 H new ATOM 0 HG CYS A 75 -1.934 4.161 -0.607 1.00 0.00 H new ATOM 1156 N SER A 76 -5.957 8.196 -0.797 1.00 0.00 N ATOM 1157 CA SER A 76 -6.355 9.243 -1.725 1.00 0.00 C ATOM 1158 C SER A 76 -5.165 9.801 -2.504 1.00 0.00 C ATOM 1159 O SER A 76 -5.316 10.232 -3.648 1.00 0.00 O ATOM 1160 CB SER A 76 -7.074 10.356 -0.965 1.00 0.00 C ATOM 1161 OG SER A 76 -6.347 10.740 0.191 1.00 0.00 O ATOM 0 H SER A 76 -6.055 8.448 0.186 1.00 0.00 H new ATOM 0 HA SER A 76 -7.035 8.806 -2.456 1.00 0.00 H new ATOM 0 HB2 SER A 76 -7.207 11.219 -1.618 1.00 0.00 H new ATOM 0 HB3 SER A 76 -8.069 10.019 -0.676 1.00 0.00 H new ATOM 0 HG SER A 76 -6.828 11.455 0.658 1.00 0.00 H new ATOM 1167 N PHE A 77 -3.981 9.774 -1.893 1.00 0.00 N ATOM 1168 CA PHE A 77 -2.774 10.263 -2.550 1.00 0.00 C ATOM 1169 C PHE A 77 -2.482 9.453 -3.810 1.00 0.00 C ATOM 1170 O PHE A 77 -2.249 10.011 -4.883 1.00 0.00 O ATOM 1171 CB PHE A 77 -1.578 10.199 -1.593 1.00 0.00 C ATOM 1172 CG PHE A 77 -0.291 10.691 -2.195 1.00 0.00 C ATOM 1173 CD1 PHE A 77 -0.080 12.046 -2.396 1.00 0.00 C ATOM 1174 CD2 PHE A 77 0.705 9.799 -2.562 1.00 0.00 C ATOM 1175 CE1 PHE A 77 1.099 12.501 -2.950 1.00 0.00 C ATOM 1176 CE2 PHE A 77 1.886 10.249 -3.118 1.00 0.00 C ATOM 1177 CZ PHE A 77 2.083 11.602 -3.312 1.00 0.00 C ATOM 0 H PHE A 77 -3.834 9.420 -0.948 1.00 0.00 H new ATOM 0 HA PHE A 77 -2.939 11.302 -2.835 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -1.803 10.791 -0.706 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -1.443 9.169 -1.263 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -0.847 12.753 -2.116 1.00 0.00 H new ATOM 0 HD2 PHE A 77 0.555 8.740 -2.411 1.00 0.00 H new ATOM 0 HE1 PHE A 77 1.252 13.559 -3.100 1.00 0.00 H new ATOM 0 HE2 PHE A 77 2.654 9.544 -3.401 1.00 0.00 H new ATOM 0 HZ PHE A 77 3.006 11.957 -3.746 1.00 0.00 H new ATOM 1187 N ALA A 78 -2.518 8.132 -3.677 1.00 0.00 N ATOM 1188 CA ALA A 78 -2.252 7.244 -4.801 1.00 0.00 C ATOM 1189 C ALA A 78 -3.351 7.357 -5.848 1.00 0.00 C ATOM 1190 O ALA A 78 -3.083 7.330 -7.049 1.00 0.00 O ATOM 1191 CB ALA A 78 -2.120 5.808 -4.327 1.00 0.00 C ATOM 0 H ALA A 78 -2.729 7.653 -2.802 1.00 0.00 H new ATOM 0 HA ALA A 78 -1.309 7.546 -5.257 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -1.922 5.160 -5.181 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -1.297 5.734 -3.616 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -3.046 5.498 -3.844 1.00 0.00 H new ATOM 1197 N LYS A 79 -4.586 7.494 -5.385 1.00 0.00 N ATOM 1198 CA LYS A 79 -5.721 7.643 -6.285 1.00 0.00 C ATOM 1199 C LYS A 79 -5.610 8.940 -7.080 1.00 0.00 C ATOM 1200 O LYS A 79 -5.922 8.974 -8.268 1.00 0.00 O ATOM 1201 CB LYS A 79 -7.034 7.601 -5.502 1.00 0.00 C ATOM 1202 CG LYS A 79 -8.268 7.831 -6.363 1.00 0.00 C ATOM 1203 CD LYS A 79 -9.545 7.489 -5.612 1.00 0.00 C ATOM 1204 CE LYS A 79 -9.645 5.993 -5.352 1.00 0.00 C ATOM 1205 NZ LYS A 79 -10.911 5.625 -4.670 1.00 0.00 N ATOM 0 H LYS A 79 -4.827 7.505 -4.394 1.00 0.00 H new ATOM 0 HA LYS A 79 -5.714 6.810 -6.988 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -7.122 6.633 -5.009 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -7.003 8.357 -4.718 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -8.301 8.873 -6.682 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -8.202 7.223 -7.265 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -9.569 8.028 -4.665 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -10.409 7.819 -6.189 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -9.575 5.456 -6.298 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -8.800 5.675 -4.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -10.935 4.597 -4.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -10.968 6.116 -3.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -11.719 5.904 -5.263 1.00 0.00 H new ATOM 1219 N HIS A 80 -5.147 9.998 -6.423 1.00 0.00 N ATOM 1220 CA HIS A 80 -4.954 11.283 -7.086 1.00 0.00 C ATOM 1221 C HIS A 80 -3.876 11.173 -8.160 1.00 0.00 C ATOM 1222 O HIS A 80 -3.929 11.857 -9.178 1.00 0.00 O ATOM 1223 CB HIS A 80 -4.568 12.368 -6.072 1.00 0.00 C ATOM 1224 CG HIS A 80 -4.500 13.745 -6.663 1.00 0.00 C ATOM 1225 ND1 HIS A 80 -3.325 14.343 -7.072 1.00 0.00 N ATOM 1226 CD2 HIS A 80 -5.482 14.640 -6.921 1.00 0.00 C ATOM 1227 CE1 HIS A 80 -3.592 15.543 -7.554 1.00 0.00 C ATOM 1228 NE2 HIS A 80 -4.893 15.747 -7.475 1.00 0.00 N ATOM 0 H HIS A 80 -4.899 9.992 -5.434 1.00 0.00 H new ATOM 0 HA HIS A 80 -5.897 11.564 -7.556 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -5.292 12.367 -5.257 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -3.600 12.120 -5.638 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -6.536 14.507 -6.726 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -2.867 16.240 -7.947 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -5.381 16.590 -7.777 1.00 0.00 H new ATOM 1237 N MET A 81 -2.897 10.310 -7.924 1.00 0.00 N ATOM 1238 CA MET A 81 -1.825 10.093 -8.886 1.00 0.00 C ATOM 1239 C MET A 81 -2.331 9.287 -10.081 1.00 0.00 C ATOM 1240 O MET A 81 -1.868 9.471 -11.206 1.00 0.00 O ATOM 1241 CB MET A 81 -0.643 9.392 -8.210 1.00 0.00 C ATOM 1242 CG MET A 81 0.550 9.157 -9.122 1.00 0.00 C ATOM 1243 SD MET A 81 2.057 8.776 -8.204 1.00 0.00 S ATOM 1244 CE MET A 81 1.527 7.374 -7.219 1.00 0.00 C ATOM 0 H MET A 81 -2.823 9.749 -7.075 1.00 0.00 H new ATOM 0 HA MET A 81 -1.483 11.060 -9.255 1.00 0.00 H new ATOM 0 HB2 MET A 81 -0.321 9.989 -7.357 1.00 0.00 H new ATOM 0 HB3 MET A 81 -0.981 8.432 -7.818 1.00 0.00 H new ATOM 0 HG2 MET A 81 0.326 8.336 -9.804 1.00 0.00 H new ATOM 0 HG3 MET A 81 0.716 10.044 -9.734 1.00 0.00 H new ATOM 0 HE1 MET A 81 1.394 7.687 -6.183 1.00 0.00 H new ATOM 0 HE2 MET A 81 0.583 6.993 -7.607 1.00 0.00 H new ATOM 0 HE3 MET A 81 2.282 6.589 -7.267 1.00 0.00 H new ATOM 1254 N LEU A 82 -3.301 8.411 -9.830 1.00 0.00 N ATOM 1255 CA LEU A 82 -3.957 7.653 -10.893 1.00 0.00 C ATOM 1256 C LEU A 82 -4.767 8.579 -11.797 1.00 0.00 C ATOM 1257 O LEU A 82 -4.832 8.381 -13.008 1.00 0.00 O ATOM 1258 CB LEU A 82 -4.879 6.585 -10.296 1.00 0.00 C ATOM 1259 CG LEU A 82 -4.176 5.411 -9.612 1.00 0.00 C ATOM 1260 CD1 LEU A 82 -5.179 4.575 -8.835 1.00 0.00 C ATOM 1261 CD2 LEU A 82 -3.456 4.554 -10.641 1.00 0.00 C ATOM 0 H LEU A 82 -3.652 8.208 -8.894 1.00 0.00 H new ATOM 0 HA LEU A 82 -3.183 7.168 -11.488 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -5.537 7.063 -9.571 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -5.513 6.192 -11.091 1.00 0.00 H new ATOM 0 HG LEU A 82 -3.439 5.806 -8.913 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -4.664 3.743 -8.354 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -5.658 5.194 -8.076 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -5.936 4.187 -9.517 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -2.960 3.723 -10.140 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -4.177 4.166 -11.360 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -2.713 5.158 -11.162 1.00 0.00 H new ATOM 1273 N GLU A 83 -5.382 9.590 -11.194 1.00 0.00 N ATOM 1274 CA GLU A 83 -6.197 10.550 -11.933 1.00 0.00 C ATOM 1275 C GLU A 83 -5.318 11.622 -12.573 1.00 0.00 C ATOM 1276 O GLU A 83 -5.755 12.342 -13.475 1.00 0.00 O ATOM 1277 CB GLU A 83 -7.216 11.211 -10.998 1.00 0.00 C ATOM 1278 CG GLU A 83 -8.095 10.223 -10.244 1.00 0.00 C ATOM 1279 CD GLU A 83 -9.068 10.903 -9.299 1.00 0.00 C ATOM 1280 OE1 GLU A 83 -8.640 11.799 -8.537 1.00 0.00 O ATOM 1281 OE2 GLU A 83 -10.264 10.536 -9.303 1.00 0.00 O ATOM 0 H GLU A 83 -5.332 9.767 -10.191 1.00 0.00 H new ATOM 0 HA GLU A 83 -6.727 10.013 -12.720 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -6.684 11.832 -10.277 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -7.852 11.876 -11.582 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -8.653 9.620 -10.960 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -7.462 9.540 -9.677 1.00 0.00 H new ATOM 1288 N LYS A 84 -4.079 11.715 -12.101 1.00 0.00 N ATOM 1289 CA LYS A 84 -3.157 12.771 -12.512 1.00 0.00 C ATOM 1290 C LYS A 84 -2.910 12.757 -14.021 1.00 0.00 C ATOM 1291 O LYS A 84 -2.820 13.812 -14.651 1.00 0.00 O ATOM 1292 CB LYS A 84 -1.829 12.617 -11.769 1.00 0.00 C ATOM 1293 CG LYS A 84 -0.906 13.820 -11.893 1.00 0.00 C ATOM 1294 CD LYS A 84 0.459 13.539 -11.284 1.00 0.00 C ATOM 1295 CE LYS A 84 1.215 12.482 -12.073 1.00 0.00 C ATOM 1296 NZ LYS A 84 1.594 12.961 -13.429 1.00 0.00 N ATOM 0 H LYS A 84 -3.685 11.062 -11.424 1.00 0.00 H new ATOM 0 HA LYS A 84 -3.615 13.727 -12.260 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -2.034 12.437 -10.714 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -1.313 11.735 -12.149 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -0.789 14.084 -12.944 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -1.357 14.679 -11.397 1.00 0.00 H new ATOM 0 HD2 LYS A 84 1.042 14.459 -11.256 1.00 0.00 H new ATOM 0 HD3 LYS A 84 0.337 13.207 -10.253 1.00 0.00 H new ATOM 0 HE2 LYS A 84 2.113 12.195 -11.526 1.00 0.00 H new ATOM 0 HE3 LYS A 84 0.598 11.588 -12.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 2.001 12.174 -13.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 0.750 13.321 -13.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 2.297 13.723 -13.344 1.00 0.00 H new ATOM 1310 N GLU A 85 -2.791 11.571 -14.601 1.00 0.00 N ATOM 1311 CA GLU A 85 -2.563 11.456 -16.034 1.00 0.00 C ATOM 1312 C GLU A 85 -3.410 10.342 -16.633 1.00 0.00 C ATOM 1313 O GLU A 85 -4.010 9.545 -15.913 1.00 0.00 O ATOM 1314 CB GLU A 85 -1.074 11.257 -16.340 1.00 0.00 C ATOM 1315 CG GLU A 85 -0.438 10.070 -15.645 1.00 0.00 C ATOM 1316 CD GLU A 85 1.074 10.111 -15.727 1.00 0.00 C ATOM 1317 OE1 GLU A 85 1.694 10.804 -14.895 1.00 0.00 O ATOM 1318 OE2 GLU A 85 1.651 9.464 -16.624 1.00 0.00 O ATOM 0 H GLU A 85 -2.848 10.681 -14.106 1.00 0.00 H new ATOM 0 HA GLU A 85 -2.871 12.391 -16.502 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -0.951 11.139 -17.417 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -0.534 12.160 -16.054 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -0.745 10.055 -14.599 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -0.801 9.147 -16.097 1.00 0.00 H new ATOM 1325 N ASP A 86 -3.442 10.291 -17.954 1.00 0.00 N ATOM 1326 CA ASP A 86 -4.378 9.433 -18.670 1.00 0.00 C ATOM 1327 C ASP A 86 -3.828 8.020 -18.820 1.00 0.00 C ATOM 1328 O ASP A 86 -4.585 7.061 -18.953 1.00 0.00 O ATOM 1329 CB ASP A 86 -4.661 10.024 -20.052 1.00 0.00 C ATOM 1330 CG ASP A 86 -5.968 9.539 -20.637 1.00 0.00 C ATOM 1331 OD1 ASP A 86 -7.009 10.170 -20.352 1.00 0.00 O ATOM 1332 OD2 ASP A 86 -5.966 8.555 -21.400 1.00 0.00 O ATOM 0 H ASP A 86 -2.827 10.837 -18.558 1.00 0.00 H new ATOM 0 HA ASP A 86 -5.301 9.379 -18.093 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -4.681 11.111 -19.981 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -3.846 9.764 -20.728 1.00 0.00 H new ATOM 1337 N SER A 87 -2.507 7.899 -18.774 1.00 0.00 N ATOM 1338 CA SER A 87 -1.830 6.622 -18.989 1.00 0.00 C ATOM 1339 C SER A 87 -2.133 5.611 -17.873 1.00 0.00 C ATOM 1340 O SER A 87 -1.711 4.455 -17.943 1.00 0.00 O ATOM 1341 CB SER A 87 -0.316 6.846 -19.105 1.00 0.00 C ATOM 1342 OG SER A 87 0.367 5.635 -19.385 1.00 0.00 O ATOM 0 H SER A 87 -1.876 8.678 -18.588 1.00 0.00 H new ATOM 0 HA SER A 87 -2.210 6.200 -19.920 1.00 0.00 H new ATOM 0 HB2 SER A 87 -0.113 7.570 -19.894 1.00 0.00 H new ATOM 0 HB3 SER A 87 0.062 7.272 -18.176 1.00 0.00 H new ATOM 0 HG SER A 87 -0.183 4.876 -19.100 1.00 0.00 H new ATOM 1348 N TYR A 88 -2.864 6.037 -16.853 1.00 0.00 N ATOM 1349 CA TYR A 88 -3.220 5.145 -15.759 1.00 0.00 C ATOM 1350 C TYR A 88 -4.610 4.555 -15.947 1.00 0.00 C ATOM 1351 O TYR A 88 -5.009 3.656 -15.207 1.00 0.00 O ATOM 1352 CB TYR A 88 -3.140 5.869 -14.417 1.00 0.00 C ATOM 1353 CG TYR A 88 -1.726 6.088 -13.933 1.00 0.00 C ATOM 1354 CD1 TYR A 88 -0.877 5.012 -13.719 1.00 0.00 C ATOM 1355 CD2 TYR A 88 -1.239 7.365 -13.693 1.00 0.00 C ATOM 1356 CE1 TYR A 88 0.415 5.201 -13.275 1.00 0.00 C ATOM 1357 CE2 TYR A 88 0.053 7.561 -13.245 1.00 0.00 C ATOM 1358 CZ TYR A 88 0.876 6.476 -13.040 1.00 0.00 C ATOM 1359 OH TYR A 88 2.160 6.667 -12.588 1.00 0.00 O ATOM 0 H TYR A 88 -3.220 6.988 -16.760 1.00 0.00 H new ATOM 0 HA TYR A 88 -2.499 4.327 -15.763 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -3.639 6.834 -14.504 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -3.686 5.293 -13.670 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -1.234 4.009 -13.903 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -1.880 8.218 -13.859 1.00 0.00 H new ATOM 0 HE1 TYR A 88 1.062 4.352 -13.112 1.00 0.00 H new ATOM 0 HE2 TYR A 88 0.416 8.561 -13.056 1.00 0.00 H new ATOM 0 HH TYR A 88 2.794 6.301 -13.239 1.00 0.00 H new ATOM 1369 N GLN A 89 -5.337 5.033 -16.953 1.00 0.00 N ATOM 1370 CA GLN A 89 -6.700 4.567 -17.189 1.00 0.00 C ATOM 1371 C GLN A 89 -6.700 3.116 -17.682 1.00 0.00 C ATOM 1372 O GLN A 89 -7.727 2.443 -17.659 1.00 0.00 O ATOM 1373 CB GLN A 89 -7.415 5.475 -18.196 1.00 0.00 C ATOM 1374 CG GLN A 89 -8.896 5.157 -18.350 1.00 0.00 C ATOM 1375 CD GLN A 89 -9.608 6.069 -19.330 1.00 0.00 C ATOM 1376 OE1 GLN A 89 -9.178 7.315 -19.418 1.00 0.00 O flip ATOM 1377 NE2 GLN A 89 -10.562 5.656 -19.992 1.00 0.00 N flip ATOM 0 H GLN A 89 -5.008 5.737 -17.613 1.00 0.00 H new ATOM 0 HA GLN A 89 -7.241 4.608 -16.244 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -7.304 6.513 -17.881 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -6.928 5.383 -19.167 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -9.006 4.124 -18.680 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -9.380 5.233 -17.376 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -10.867 4.687 -19.898 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -11.047 6.283 -20.634 1.00 0.00 H new ATOM 1386 N ASP A 90 -5.533 2.643 -18.110 1.00 0.00 N ATOM 1387 CA ASP A 90 -5.366 1.257 -18.554 1.00 0.00 C ATOM 1388 C ASP A 90 -5.737 0.274 -17.451 1.00 0.00 C ATOM 1389 O ASP A 90 -6.277 -0.799 -17.717 1.00 0.00 O ATOM 1390 CB ASP A 90 -3.917 1.003 -18.977 1.00 0.00 C ATOM 1391 CG ASP A 90 -3.576 1.610 -20.321 1.00 0.00 C ATOM 1392 OD1 ASP A 90 -3.738 2.834 -20.488 1.00 0.00 O ATOM 1393 OD2 ASP A 90 -3.114 0.861 -21.210 1.00 0.00 O ATOM 0 H ASP A 90 -4.681 3.202 -18.160 1.00 0.00 H new ATOM 0 HA ASP A 90 -6.032 1.104 -19.403 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -3.247 1.411 -18.220 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -3.739 -0.072 -19.015 1.00 0.00 H new ATOM 1398 N VAL A 91 -5.438 0.645 -16.213 1.00 0.00 N ATOM 1399 CA VAL A 91 -5.675 -0.229 -15.068 1.00 0.00 C ATOM 1400 C VAL A 91 -6.653 0.405 -14.085 1.00 0.00 C ATOM 1401 O VAL A 91 -6.928 -0.141 -13.016 1.00 0.00 O ATOM 1402 CB VAL A 91 -4.357 -0.553 -14.340 1.00 0.00 C ATOM 1403 CG1 VAL A 91 -3.464 -1.422 -15.214 1.00 0.00 C ATOM 1404 CG2 VAL A 91 -3.645 0.734 -13.950 1.00 0.00 C ATOM 0 H VAL A 91 -5.029 1.548 -15.974 1.00 0.00 H new ATOM 0 HA VAL A 91 -6.108 -1.153 -15.451 1.00 0.00 H new ATOM 0 HB VAL A 91 -4.586 -1.110 -13.432 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -2.537 -1.641 -14.683 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.978 -2.355 -15.446 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.236 -0.894 -16.140 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -2.714 0.494 -13.436 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -3.425 1.314 -14.846 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.285 1.318 -13.288 1.00 0.00 H new ATOM 1414 N TYR A 92 -7.180 1.556 -14.465 1.00 0.00 N ATOM 1415 CA TYR A 92 -8.096 2.297 -13.617 1.00 0.00 C ATOM 1416 C TYR A 92 -9.518 2.134 -14.140 1.00 0.00 C ATOM 1417 O TYR A 92 -9.742 2.143 -15.349 1.00 0.00 O ATOM 1418 CB TYR A 92 -7.689 3.775 -13.584 1.00 0.00 C ATOM 1419 CG TYR A 92 -8.405 4.605 -12.541 1.00 0.00 C ATOM 1420 CD1 TYR A 92 -8.113 4.464 -11.189 1.00 0.00 C ATOM 1421 CD2 TYR A 92 -9.360 5.542 -12.909 1.00 0.00 C ATOM 1422 CE1 TYR A 92 -8.755 5.233 -10.238 1.00 0.00 C ATOM 1423 CE2 TYR A 92 -10.007 6.312 -11.965 1.00 0.00 C ATOM 1424 CZ TYR A 92 -9.700 6.156 -10.633 1.00 0.00 C ATOM 1425 OH TYR A 92 -10.344 6.925 -9.692 1.00 0.00 O ATOM 0 H TYR A 92 -6.987 2.000 -15.363 1.00 0.00 H new ATOM 0 HA TYR A 92 -8.055 1.908 -12.600 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -6.616 3.838 -13.405 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -7.875 4.211 -14.566 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -7.373 3.742 -10.878 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -9.601 5.671 -13.954 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -8.518 5.112 -9.191 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -10.751 7.033 -12.270 1.00 0.00 H new ATOM 0 HH TYR A 92 -10.978 7.525 -10.138 1.00 0.00 H new ATOM 1435 N LEU A 93 -10.464 1.971 -13.226 1.00 0.00 N ATOM 1436 CA LEU A 93 -11.862 1.745 -13.586 1.00 0.00 C ATOM 1437 C LEU A 93 -12.417 2.912 -14.400 1.00 0.00 C ATOM 1438 O LEU A 93 -13.147 2.715 -15.372 1.00 0.00 O ATOM 1439 CB LEU A 93 -12.716 1.528 -12.326 1.00 0.00 C ATOM 1440 CG LEU A 93 -12.508 0.198 -11.583 1.00 0.00 C ATOM 1441 CD1 LEU A 93 -12.731 -0.981 -12.512 1.00 0.00 C ATOM 1442 CD2 LEU A 93 -11.127 0.119 -10.956 1.00 0.00 C ATOM 0 H LEU A 93 -10.289 1.991 -12.221 1.00 0.00 H new ATOM 0 HA LEU A 93 -11.906 0.847 -14.202 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -12.514 2.343 -11.631 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -13.766 1.602 -12.608 1.00 0.00 H new ATOM 0 HG LEU A 93 -13.245 0.156 -10.781 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -12.578 -1.910 -11.963 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -13.749 -0.952 -12.899 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -12.026 -0.929 -13.342 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -11.016 -0.834 -10.440 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -10.369 0.200 -11.735 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -11.004 0.934 -10.243 1.00 0.00 H new