USER MOD reduce.3.24.130724 H: found=0, std=0, add=840, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 842 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 74 GLN : amide:sc= -1.46! C(o=-1.5!,f=-6!) USER MOD Set 1.2: A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 9 MET CE :methyl 170:sc= -3.8! (180deg=-4.12!) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.236 USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 13 MET CE :methyl -160:sc= -0.143 (180deg=-0.769) USER MOD Single : A 19 LYS NZ :NH3+ -138:sc= -0.21 (180deg=-2.12!) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 41 LYS NZ :NH3+ 170:sc= 1.25 (180deg=1.09) USER MOD Single : A 47 ASN : amide:sc= -1.36 X(o=-1.4,f=-1.2) USER MOD Single : A 63 LYS NZ :NH3+ -133:sc= 1.15 (180deg=0.446) USER MOD Single : A 68 LYS NZ :NH3+ -156:sc= -1.78! (180deg=-4.73!) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 HIS : no HE2:sc= 0.377 K(o=0.38,f=-1.3) USER MOD Single : A 72 LYS NZ :NH3+ -163:sc= 1.06 (180deg=0.742) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 88 GLN : amide:sc= -0.119 K(o=-0.12,f=-1.4) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 HIS : no HD1:sc= -2.17 K(o=-2.2,f=-1.2) USER MOD Single : A 93 HIS : no HD1:sc= -0.0777 K(o=-0.078,f=-5.9!) USER MOD Single : A 95 HIS : no HD1:sc= -0.0692 X(o=-0.069,f=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0281) USER MOD Single : A 103 THR OG1 : rot 95:sc= 1.25 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 THR OG1 : rot 74:sc= 1.2 USER MOD Single : A 111 HIS : no HD1:sc= -0.0287 X(o=-0.029,f=-0.029) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 81 N LEU A 6 -2.328 10.714 -9.709 1.00 0.00 N ATOM 82 CA LEU A 6 -1.357 10.267 -8.715 1.00 0.00 C ATOM 83 C LEU A 6 -2.097 9.718 -7.505 1.00 0.00 C ATOM 84 O LEU A 6 -1.670 8.743 -6.884 1.00 0.00 O ATOM 85 CB LEU A 6 -0.449 11.421 -8.264 1.00 0.00 C ATOM 86 CG LEU A 6 0.659 11.040 -7.278 1.00 0.00 C ATOM 87 CD1 LEU A 6 1.670 10.117 -7.941 1.00 0.00 C ATOM 88 CD2 LEU A 6 1.343 12.285 -6.740 1.00 0.00 C ATOM 0 HA LEU A 6 -0.735 9.495 -9.168 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.011 11.865 -9.147 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -1.070 12.191 -7.806 1.00 0.00 H new ATOM 0 HG LEU A 6 0.207 10.507 -6.441 1.00 0.00 H new ATOM 0 HD11 LEU A 6 2.450 9.857 -7.225 1.00 0.00 H new ATOM 0 HD12 LEU A 6 1.169 9.209 -8.277 1.00 0.00 H new ATOM 0 HD13 LEU A 6 2.117 10.622 -8.797 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.128 11.996 -6.041 1.00 0.00 H new ATOM 0 HD22 LEU A 6 1.781 12.845 -7.566 1.00 0.00 H new ATOM 0 HD23 LEU A 6 0.611 12.909 -6.227 1.00 0.00 H new ATOM 100 N LEU A 7 -3.221 10.353 -7.187 1.00 0.00 N ATOM 101 CA LEU A 7 -4.025 9.976 -6.031 1.00 0.00 C ATOM 102 C LEU A 7 -4.557 8.558 -6.184 1.00 0.00 C ATOM 103 O LEU A 7 -4.624 7.795 -5.222 1.00 0.00 O ATOM 104 CB LEU A 7 -5.190 10.954 -5.865 1.00 0.00 C ATOM 105 CG LEU A 7 -6.084 10.710 -4.647 1.00 0.00 C ATOM 106 CD1 LEU A 7 -5.284 10.864 -3.362 1.00 0.00 C ATOM 107 CD2 LEU A 7 -7.273 11.660 -4.663 1.00 0.00 C ATOM 0 H LEU A 7 -3.597 11.137 -7.719 1.00 0.00 H new ATOM 0 HA LEU A 7 -3.393 10.014 -5.144 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -4.787 11.965 -5.802 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -5.808 10.912 -6.762 1.00 0.00 H new ATOM 0 HG LEU A 7 -6.463 9.689 -4.691 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -5.934 10.687 -2.505 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -4.468 10.142 -3.353 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -4.876 11.873 -3.306 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -7.899 11.474 -3.790 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -6.916 12.690 -4.641 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -7.856 11.498 -5.569 1.00 0.00 H new ATOM 119 N GLU A 8 -4.896 8.214 -7.416 1.00 0.00 N ATOM 120 CA GLU A 8 -5.474 6.924 -7.745 1.00 0.00 C ATOM 121 C GLU A 8 -4.517 5.794 -7.385 1.00 0.00 C ATOM 122 O GLU A 8 -4.943 4.703 -7.024 1.00 0.00 O ATOM 123 CB GLU A 8 -5.797 6.867 -9.241 1.00 0.00 C ATOM 124 CG GLU A 8 -6.745 7.959 -9.736 1.00 0.00 C ATOM 125 CD GLU A 8 -6.152 9.360 -9.678 1.00 0.00 C ATOM 126 OE1 GLU A 8 -4.912 9.500 -9.789 1.00 0.00 O ATOM 127 OE2 GLU A 8 -6.928 10.323 -9.495 1.00 0.00 O ATOM 0 H GLU A 8 -4.776 8.828 -8.221 1.00 0.00 H new ATOM 0 HA GLU A 8 -6.390 6.800 -7.168 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -4.865 6.933 -9.802 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -6.236 5.895 -9.466 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -7.033 7.739 -10.764 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -7.656 7.935 -9.138 1.00 0.00 H new ATOM 134 N MET A 9 -3.221 6.068 -7.473 1.00 0.00 N ATOM 135 CA MET A 9 -2.209 5.073 -7.142 1.00 0.00 C ATOM 136 C MET A 9 -2.229 4.785 -5.644 1.00 0.00 C ATOM 137 O MET A 9 -2.146 3.633 -5.218 1.00 0.00 O ATOM 138 CB MET A 9 -0.828 5.560 -7.576 1.00 0.00 C ATOM 139 CG MET A 9 0.292 4.565 -7.312 1.00 0.00 C ATOM 140 SD MET A 9 1.888 5.127 -7.947 1.00 0.00 S ATOM 141 CE MET A 9 2.083 6.669 -7.055 1.00 0.00 C ATOM 0 H MET A 9 -2.847 6.969 -7.770 1.00 0.00 H new ATOM 0 HA MET A 9 -2.432 4.150 -7.677 1.00 0.00 H new ATOM 0 HB2 MET A 9 -0.853 5.788 -8.642 1.00 0.00 H new ATOM 0 HB3 MET A 9 -0.603 6.491 -7.056 1.00 0.00 H new ATOM 0 HG2 MET A 9 0.373 4.392 -6.239 1.00 0.00 H new ATOM 0 HG3 MET A 9 0.039 3.609 -7.771 1.00 0.00 H new ATOM 0 HE1 MET A 9 3.094 7.048 -7.201 1.00 0.00 H new ATOM 0 HE2 MET A 9 1.364 7.399 -7.428 1.00 0.00 H new ATOM 0 HE3 MET A 9 1.909 6.499 -5.992 1.00 0.00 H new ATOM 151 N THR A 10 -2.359 5.842 -4.853 1.00 0.00 N ATOM 152 CA THR A 10 -2.480 5.708 -3.410 1.00 0.00 C ATOM 153 C THR A 10 -3.788 4.997 -3.057 1.00 0.00 C ATOM 154 O THR A 10 -3.809 4.093 -2.221 1.00 0.00 O ATOM 155 CB THR A 10 -2.434 7.089 -2.727 1.00 0.00 C ATOM 156 OG1 THR A 10 -1.239 7.783 -3.114 1.00 0.00 O ATOM 157 CG2 THR A 10 -2.475 6.959 -1.213 1.00 0.00 C ATOM 0 H THR A 10 -2.383 6.805 -5.190 1.00 0.00 H new ATOM 0 HA THR A 10 -1.640 5.115 -3.049 1.00 0.00 H new ATOM 0 HB THR A 10 -3.311 7.652 -3.047 1.00 0.00 H new ATOM 0 HG1 THR A 10 -1.215 8.661 -2.679 1.00 0.00 H new ATOM 0 HG21 THR A 10 -2.441 7.951 -0.762 1.00 0.00 H new ATOM 0 HG22 THR A 10 -3.395 6.456 -0.916 1.00 0.00 H new ATOM 0 HG23 THR A 10 -1.618 6.377 -0.874 1.00 0.00 H new ATOM 165 N GLU A 11 -4.867 5.394 -3.726 1.00 0.00 N ATOM 166 CA GLU A 11 -6.176 4.790 -3.509 1.00 0.00 C ATOM 167 C GLU A 11 -6.170 3.313 -3.902 1.00 0.00 C ATOM 168 O GLU A 11 -6.824 2.487 -3.260 1.00 0.00 O ATOM 169 CB GLU A 11 -7.245 5.554 -4.296 1.00 0.00 C ATOM 170 CG GLU A 11 -7.442 6.981 -3.808 1.00 0.00 C ATOM 171 CD GLU A 11 -8.639 7.659 -4.439 1.00 0.00 C ATOM 172 OE1 GLU A 11 -8.686 7.760 -5.682 1.00 0.00 O ATOM 173 OE2 GLU A 11 -9.536 8.104 -3.692 1.00 0.00 O ATOM 0 H GLU A 11 -4.859 6.136 -4.426 1.00 0.00 H new ATOM 0 HA GLU A 11 -6.411 4.852 -2.447 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -6.968 5.572 -5.350 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -8.192 5.018 -4.225 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -7.563 6.976 -2.725 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -6.545 7.561 -4.026 1.00 0.00 H new ATOM 180 N GLN A 12 -5.420 2.985 -4.950 1.00 0.00 N ATOM 181 CA GLN A 12 -5.252 1.601 -5.381 1.00 0.00 C ATOM 182 C GLN A 12 -4.600 0.774 -4.277 1.00 0.00 C ATOM 183 O GLN A 12 -5.042 -0.337 -3.976 1.00 0.00 O ATOM 184 CB GLN A 12 -4.400 1.541 -6.652 1.00 0.00 C ATOM 185 CG GLN A 12 -4.163 0.127 -7.166 1.00 0.00 C ATOM 186 CD GLN A 12 -5.428 -0.551 -7.659 1.00 0.00 C ATOM 187 OE1 GLN A 12 -6.345 0.098 -8.163 1.00 0.00 O ATOM 188 NE2 GLN A 12 -5.484 -1.864 -7.513 1.00 0.00 N ATOM 0 H GLN A 12 -4.916 3.664 -5.520 1.00 0.00 H new ATOM 0 HA GLN A 12 -6.236 1.185 -5.595 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -4.887 2.125 -7.433 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -3.437 2.013 -6.456 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -3.436 0.160 -7.978 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -3.724 -0.473 -6.369 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -4.702 -2.364 -7.090 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -6.309 -2.377 -7.823 1.00 0.00 H new ATOM 197 N MET A 13 -3.552 1.326 -3.671 1.00 0.00 N ATOM 198 CA MET A 13 -2.851 0.648 -2.589 1.00 0.00 C ATOM 199 C MET A 13 -3.771 0.481 -1.382 1.00 0.00 C ATOM 200 O MET A 13 -3.750 -0.557 -0.718 1.00 0.00 O ATOM 201 CB MET A 13 -1.586 1.419 -2.199 1.00 0.00 C ATOM 202 CG MET A 13 -0.752 0.704 -1.147 1.00 0.00 C ATOM 203 SD MET A 13 0.796 1.551 -0.780 1.00 0.00 S ATOM 204 CE MET A 13 1.610 1.498 -2.376 1.00 0.00 C ATOM 0 H MET A 13 -3.171 2.241 -3.912 1.00 0.00 H new ATOM 0 HA MET A 13 -2.554 -0.341 -2.937 1.00 0.00 H new ATOM 0 HB2 MET A 13 -0.977 1.580 -3.089 1.00 0.00 H new ATOM 0 HB3 MET A 13 -1.868 2.402 -1.823 1.00 0.00 H new ATOM 0 HG2 MET A 13 -1.335 0.611 -0.231 1.00 0.00 H new ATOM 0 HG3 MET A 13 -0.534 -0.307 -1.490 1.00 0.00 H new ATOM 0 HE1 MET A 13 2.681 1.648 -2.243 1.00 0.00 H new ATOM 0 HE2 MET A 13 1.435 0.528 -2.842 1.00 0.00 H new ATOM 0 HE3 MET A 13 1.210 2.285 -3.015 1.00 0.00 H new ATOM 214 N ILE A 14 -4.595 1.497 -1.125 1.00 0.00 N ATOM 215 CA ILE A 14 -5.573 1.441 -0.042 1.00 0.00 C ATOM 216 C ILE A 14 -6.509 0.250 -0.231 1.00 0.00 C ATOM 217 O ILE A 14 -6.695 -0.564 0.673 1.00 0.00 O ATOM 218 CB ILE A 14 -6.416 2.737 0.030 1.00 0.00 C ATOM 219 CG1 ILE A 14 -5.531 3.937 0.372 1.00 0.00 C ATOM 220 CG2 ILE A 14 -7.547 2.600 1.047 1.00 0.00 C ATOM 221 CD1 ILE A 14 -6.276 5.256 0.398 1.00 0.00 C ATOM 0 H ILE A 14 -4.603 2.369 -1.654 1.00 0.00 H new ATOM 0 HA ILE A 14 -5.018 1.332 0.890 1.00 0.00 H new ATOM 0 HB ILE A 14 -6.861 2.903 -0.951 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -5.070 3.771 1.346 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -4.723 4.001 -0.357 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -8.123 3.525 1.077 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -8.199 1.776 0.758 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -7.127 2.402 2.033 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -5.584 6.060 0.647 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -6.714 5.446 -0.582 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -7.067 5.213 1.147 1.00 0.00 H new ATOM 233 N GLU A 15 -7.072 0.154 -1.428 1.00 0.00 N ATOM 234 CA GLU A 15 -8.019 -0.900 -1.761 1.00 0.00 C ATOM 235 C GLU A 15 -7.400 -2.284 -1.598 1.00 0.00 C ATOM 236 O GLU A 15 -7.968 -3.147 -0.931 1.00 0.00 O ATOM 237 CB GLU A 15 -8.515 -0.714 -3.190 1.00 0.00 C ATOM 238 CG GLU A 15 -9.579 -1.714 -3.592 1.00 0.00 C ATOM 239 CD GLU A 15 -10.910 -1.489 -2.901 1.00 0.00 C ATOM 240 OE1 GLU A 15 -10.930 -1.211 -1.685 1.00 0.00 O ATOM 241 OE2 GLU A 15 -11.955 -1.629 -3.568 1.00 0.00 O ATOM 0 H GLU A 15 -6.886 0.803 -2.193 1.00 0.00 H new ATOM 0 HA GLU A 15 -8.859 -0.829 -1.070 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -8.914 0.294 -3.300 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -7.670 -0.799 -3.874 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -9.725 -1.663 -4.671 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -9.226 -2.720 -3.365 1.00 0.00 H new ATOM 248 N VAL A 16 -6.236 -2.489 -2.198 1.00 0.00 N ATOM 249 CA VAL A 16 -5.575 -3.790 -2.154 1.00 0.00 C ATOM 250 C VAL A 16 -5.259 -4.192 -0.716 1.00 0.00 C ATOM 251 O VAL A 16 -5.493 -5.333 -0.317 1.00 0.00 O ATOM 252 CB VAL A 16 -4.274 -3.790 -2.989 1.00 0.00 C ATOM 253 CG1 VAL A 16 -3.551 -5.127 -2.883 1.00 0.00 C ATOM 254 CG2 VAL A 16 -4.570 -3.461 -4.446 1.00 0.00 C ATOM 0 H VAL A 16 -5.729 -1.774 -2.720 1.00 0.00 H new ATOM 0 HA VAL A 16 -6.264 -4.516 -2.584 1.00 0.00 H new ATOM 0 HB VAL A 16 -3.619 -3.018 -2.584 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -2.640 -5.096 -3.481 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -3.295 -5.321 -1.841 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -4.200 -5.922 -3.251 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -3.641 -3.466 -5.016 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -5.252 -4.206 -4.856 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -5.030 -2.475 -4.510 1.00 0.00 H new ATOM 264 N ALA A 17 -4.751 -3.249 0.065 1.00 0.00 N ATOM 265 CA ALA A 17 -4.409 -3.517 1.457 1.00 0.00 C ATOM 266 C ALA A 17 -5.657 -3.823 2.279 1.00 0.00 C ATOM 267 O ALA A 17 -5.686 -4.789 3.046 1.00 0.00 O ATOM 268 CB ALA A 17 -3.652 -2.345 2.056 1.00 0.00 C ATOM 0 H ALA A 17 -4.566 -2.293 -0.240 1.00 0.00 H new ATOM 0 HA ALA A 17 -3.764 -4.396 1.482 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -3.406 -2.564 3.095 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -2.734 -2.179 1.493 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -4.272 -1.450 2.011 1.00 0.00 H new ATOM 274 N GLU A 18 -6.695 -3.012 2.103 1.00 0.00 N ATOM 275 CA GLU A 18 -7.924 -3.175 2.856 1.00 0.00 C ATOM 276 C GLU A 18 -8.681 -4.433 2.449 1.00 0.00 C ATOM 277 O GLU A 18 -9.296 -5.088 3.289 1.00 0.00 O ATOM 278 CB GLU A 18 -8.810 -1.943 2.700 1.00 0.00 C ATOM 279 CG GLU A 18 -8.614 -0.928 3.813 1.00 0.00 C ATOM 280 CD GLU A 18 -9.753 0.064 3.918 1.00 0.00 C ATOM 281 OE1 GLU A 18 -10.910 -0.322 3.640 1.00 0.00 O ATOM 282 OE2 GLU A 18 -9.507 1.221 4.319 1.00 0.00 O ATOM 0 H GLU A 18 -6.705 -2.235 1.443 1.00 0.00 H new ATOM 0 HA GLU A 18 -7.652 -3.286 3.906 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -8.598 -1.469 1.742 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -9.855 -2.254 2.678 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -8.509 -1.454 4.762 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -7.683 -0.387 3.644 1.00 0.00 H new ATOM 289 N LYS A 19 -8.645 -4.768 1.168 1.00 0.00 N ATOM 290 CA LYS A 19 -9.304 -5.976 0.688 1.00 0.00 C ATOM 291 C LYS A 19 -8.472 -7.220 0.975 1.00 0.00 C ATOM 292 O LYS A 19 -9.016 -8.316 1.116 1.00 0.00 O ATOM 293 CB LYS A 19 -9.644 -5.864 -0.798 1.00 0.00 C ATOM 294 CG LYS A 19 -11.037 -5.311 -1.019 1.00 0.00 C ATOM 295 CD LYS A 19 -11.399 -5.213 -2.487 1.00 0.00 C ATOM 296 CE LYS A 19 -12.843 -4.770 -2.652 1.00 0.00 C ATOM 297 NZ LYS A 19 -13.104 -3.464 -1.987 1.00 0.00 N ATOM 0 H LYS A 19 -8.171 -4.226 0.446 1.00 0.00 H new ATOM 0 HA LYS A 19 -10.240 -6.080 1.237 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -8.915 -5.219 -1.289 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -9.565 -6.847 -1.263 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -11.761 -5.948 -0.512 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -11.108 -4.323 -0.564 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -10.736 -4.505 -2.984 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -11.252 -6.180 -2.969 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -13.079 -4.690 -3.713 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -13.505 -5.528 -2.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -14.019 -3.502 -1.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -12.349 -3.268 -1.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -13.126 -2.709 -2.702 1.00 0.00 H new ATOM 311 N GLY A 20 -7.162 -7.050 1.076 1.00 0.00 N ATOM 312 CA GLY A 20 -6.317 -8.136 1.525 1.00 0.00 C ATOM 313 C GLY A 20 -6.612 -8.477 2.969 1.00 0.00 C ATOM 314 O GLY A 20 -6.725 -9.646 3.334 1.00 0.00 O ATOM 0 H GLY A 20 -6.671 -6.183 0.856 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -6.479 -9.013 0.898 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -5.269 -7.857 1.418 1.00 0.00 H new ATOM 318 N ALA A 21 -6.761 -7.440 3.782 1.00 0.00 N ATOM 319 CA ALA A 21 -7.155 -7.605 5.171 1.00 0.00 C ATOM 320 C ALA A 21 -8.581 -8.139 5.263 1.00 0.00 C ATOM 321 O ALA A 21 -8.886 -8.959 6.122 1.00 0.00 O ATOM 322 CB ALA A 21 -7.033 -6.289 5.923 1.00 0.00 C ATOM 0 H ALA A 21 -6.614 -6.471 3.500 1.00 0.00 H new ATOM 0 HA ALA A 21 -6.483 -8.329 5.633 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -7.333 -6.434 6.961 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -5.999 -5.945 5.888 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -7.679 -5.544 5.459 1.00 0.00 H new ATOM 328 N ASP A 22 -9.448 -7.666 4.368 1.00 0.00 N ATOM 329 CA ASP A 22 -10.838 -8.128 4.301 1.00 0.00 C ATOM 330 C ASP A 22 -10.897 -9.630 4.041 1.00 0.00 C ATOM 331 O ASP A 22 -11.682 -10.344 4.669 1.00 0.00 O ATOM 332 CB ASP A 22 -11.582 -7.370 3.195 1.00 0.00 C ATOM 333 CG ASP A 22 -13.010 -7.841 2.992 1.00 0.00 C ATOM 334 OD1 ASP A 22 -13.908 -7.381 3.729 1.00 0.00 O ATOM 335 OD2 ASP A 22 -13.247 -8.650 2.074 1.00 0.00 O ATOM 0 H ASP A 22 -9.211 -6.958 3.673 1.00 0.00 H new ATOM 0 HA ASP A 22 -11.318 -7.930 5.259 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -11.589 -6.307 3.436 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -11.035 -7.481 2.259 1.00 0.00 H new ATOM 340 N ARG A 23 -10.059 -10.101 3.121 1.00 0.00 N ATOM 341 CA ARG A 23 -9.945 -11.531 2.844 1.00 0.00 C ATOM 342 C ARG A 23 -9.555 -12.279 4.120 1.00 0.00 C ATOM 343 O ARG A 23 -10.157 -13.297 4.465 1.00 0.00 O ATOM 344 CB ARG A 23 -8.895 -11.770 1.754 1.00 0.00 C ATOM 345 CG ARG A 23 -8.811 -13.208 1.254 1.00 0.00 C ATOM 346 CD ARG A 23 -9.655 -13.431 0.001 1.00 0.00 C ATOM 347 NE ARG A 23 -11.096 -13.356 0.255 1.00 0.00 N ATOM 348 CZ ARG A 23 -12.031 -13.786 -0.602 1.00 0.00 C ATOM 349 NH1 ARG A 23 -11.686 -14.293 -1.780 1.00 0.00 N ATOM 350 NH2 ARG A 23 -13.314 -13.693 -0.287 1.00 0.00 N ATOM 0 H ARG A 23 -9.448 -9.513 2.554 1.00 0.00 H new ATOM 0 HA ARG A 23 -10.908 -11.904 2.495 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -9.114 -11.118 0.908 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -7.918 -11.476 2.139 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -7.772 -13.457 1.039 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -9.145 -13.885 2.041 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -9.385 -12.686 -0.748 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -9.417 -14.408 -0.420 1.00 0.00 H new ATOM 0 HE ARG A 23 -11.406 -12.952 1.139 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -10.702 -14.358 -2.039 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -12.406 -14.618 -2.426 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -13.591 -13.293 0.610 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -14.025 -14.021 -0.941 1.00 0.00 H new ATOM 364 N TYR A 24 -8.550 -11.746 4.816 1.00 0.00 N ATOM 365 CA TYR A 24 -8.104 -12.292 6.098 1.00 0.00 C ATOM 366 C TYR A 24 -9.248 -12.309 7.111 1.00 0.00 C ATOM 367 O TYR A 24 -9.401 -13.261 7.873 1.00 0.00 O ATOM 368 CB TYR A 24 -6.935 -11.458 6.642 1.00 0.00 C ATOM 369 CG TYR A 24 -6.596 -11.729 8.094 1.00 0.00 C ATOM 370 CD1 TYR A 24 -5.909 -12.875 8.466 1.00 0.00 C ATOM 371 CD2 TYR A 24 -6.959 -10.831 9.089 1.00 0.00 C ATOM 372 CE1 TYR A 24 -5.596 -13.123 9.788 1.00 0.00 C ATOM 373 CE2 TYR A 24 -6.650 -11.071 10.414 1.00 0.00 C ATOM 374 CZ TYR A 24 -5.968 -12.220 10.759 1.00 0.00 C ATOM 375 OH TYR A 24 -5.656 -12.466 12.078 1.00 0.00 O ATOM 0 H TYR A 24 -8.025 -10.928 4.509 1.00 0.00 H new ATOM 0 HA TYR A 24 -7.773 -13.318 5.938 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -6.052 -11.652 6.033 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -7.175 -10.401 6.529 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -5.614 -13.586 7.709 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -7.492 -9.930 8.823 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -5.062 -14.021 10.059 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -6.941 -10.363 11.176 1.00 0.00 H new ATOM 0 HH TYR A 24 -5.988 -11.731 12.635 1.00 0.00 H new ATOM 385 N GLN A 25 -10.045 -11.248 7.103 1.00 0.00 N ATOM 386 CA GLN A 25 -11.168 -11.105 8.023 1.00 0.00 C ATOM 387 C GLN A 25 -12.227 -12.176 7.772 1.00 0.00 C ATOM 388 O GLN A 25 -12.903 -12.622 8.699 1.00 0.00 O ATOM 389 CB GLN A 25 -11.773 -9.707 7.888 1.00 0.00 C ATOM 390 CG GLN A 25 -10.860 -8.607 8.403 1.00 0.00 C ATOM 391 CD GLN A 25 -11.364 -7.219 8.067 1.00 0.00 C ATOM 392 OE1 GLN A 25 -12.569 -6.983 7.981 1.00 0.00 O ATOM 393 NE2 GLN A 25 -10.438 -6.290 7.872 1.00 0.00 N ATOM 0 H GLN A 25 -9.932 -10.464 6.461 1.00 0.00 H new ATOM 0 HA GLN A 25 -10.800 -11.237 9.041 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -12.004 -9.518 6.840 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -12.716 -9.672 8.433 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -10.761 -8.700 9.484 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -9.865 -8.739 7.979 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -9.450 -6.530 7.953 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -10.714 -5.336 7.641 1.00 0.00 H new ATOM 635 N LYS A 41 2.859 -13.868 -8.278 1.00 0.00 N ATOM 636 CA LYS A 41 3.706 -13.594 -9.432 1.00 0.00 C ATOM 637 C LYS A 41 3.121 -12.447 -10.267 1.00 0.00 C ATOM 638 O LYS A 41 3.752 -11.399 -10.382 1.00 0.00 O ATOM 639 CB LYS A 41 3.923 -14.847 -10.297 1.00 0.00 C ATOM 640 CG LYS A 41 4.931 -14.642 -11.419 1.00 0.00 C ATOM 641 CD LYS A 41 6.298 -14.248 -10.878 1.00 0.00 C ATOM 642 CE LYS A 41 7.300 -14.010 -11.999 1.00 0.00 C ATOM 643 NZ LYS A 41 6.955 -12.823 -12.826 1.00 0.00 N ATOM 0 HA LYS A 41 4.683 -13.290 -9.057 1.00 0.00 H new ATOM 0 HB2 LYS A 41 4.261 -15.665 -9.660 1.00 0.00 H new ATOM 0 HB3 LYS A 41 2.969 -15.152 -10.727 1.00 0.00 H new ATOM 0 HG2 LYS A 41 5.020 -15.559 -12.001 1.00 0.00 H new ATOM 0 HG3 LYS A 41 4.570 -13.868 -12.096 1.00 0.00 H new ATOM 0 HD2 LYS A 41 6.204 -13.344 -10.276 1.00 0.00 H new ATOM 0 HD3 LYS A 41 6.669 -15.033 -10.219 1.00 0.00 H new ATOM 0 HE2 LYS A 41 8.294 -13.875 -11.572 1.00 0.00 H new ATOM 0 HE3 LYS A 41 7.344 -14.893 -12.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 7.747 -12.602 -13.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 6.104 -13.027 -13.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 6.772 -12.009 -12.205 1.00 0.00 H new ATOM 657 N PRO A 42 1.898 -12.599 -10.837 1.00 0.00 N ATOM 658 CA PRO A 42 1.284 -11.539 -11.649 1.00 0.00 C ATOM 659 C PRO A 42 1.010 -10.284 -10.828 1.00 0.00 C ATOM 660 O PRO A 42 1.245 -9.162 -11.285 1.00 0.00 O ATOM 661 CB PRO A 42 -0.029 -12.162 -12.144 1.00 0.00 C ATOM 662 CG PRO A 42 -0.315 -13.269 -11.190 1.00 0.00 C ATOM 663 CD PRO A 42 1.022 -13.787 -10.748 1.00 0.00 C ATOM 0 HA PRO A 42 1.936 -11.218 -12.461 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -0.836 -11.429 -12.151 1.00 0.00 H new ATOM 0 HB3 PRO A 42 0.071 -12.535 -13.163 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -0.896 -12.912 -10.340 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -0.900 -14.055 -11.668 1.00 0.00 H new ATOM 0 HD2 PRO A 42 0.984 -14.183 -9.733 1.00 0.00 H new ATOM 0 HD3 PRO A 42 1.373 -14.594 -11.392 1.00 0.00 H new ATOM 671 N ALA A 43 0.528 -10.479 -9.609 1.00 0.00 N ATOM 672 CA ALA A 43 0.251 -9.371 -8.712 1.00 0.00 C ATOM 673 C ALA A 43 1.543 -8.755 -8.197 1.00 0.00 C ATOM 674 O ALA A 43 1.641 -7.541 -8.056 1.00 0.00 O ATOM 675 CB ALA A 43 -0.614 -9.830 -7.553 1.00 0.00 C ATOM 0 H ALA A 43 0.321 -11.398 -9.219 1.00 0.00 H new ATOM 0 HA ALA A 43 -0.291 -8.609 -9.271 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -0.812 -8.987 -6.891 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.557 -10.220 -7.935 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.095 -10.613 -6.999 1.00 0.00 H new ATOM 681 N VAL A 44 2.538 -9.602 -7.942 1.00 0.00 N ATOM 682 CA VAL A 44 3.827 -9.150 -7.424 1.00 0.00 C ATOM 683 C VAL A 44 4.480 -8.160 -8.385 1.00 0.00 C ATOM 684 O VAL A 44 5.040 -7.150 -7.959 1.00 0.00 O ATOM 685 CB VAL A 44 4.782 -10.338 -7.170 1.00 0.00 C ATOM 686 CG1 VAL A 44 6.130 -9.860 -6.651 1.00 0.00 C ATOM 687 CG2 VAL A 44 4.155 -11.325 -6.197 1.00 0.00 C ATOM 0 H VAL A 44 2.475 -10.610 -8.087 1.00 0.00 H new ATOM 0 HA VAL A 44 3.637 -8.652 -6.473 1.00 0.00 H new ATOM 0 HB VAL A 44 4.950 -10.844 -8.121 1.00 0.00 H new ATOM 0 HG11 VAL A 44 6.780 -10.719 -6.482 1.00 0.00 H new ATOM 0 HG12 VAL A 44 6.588 -9.197 -7.385 1.00 0.00 H new ATOM 0 HG13 VAL A 44 5.989 -9.322 -5.714 1.00 0.00 H new ATOM 0 HG21 VAL A 44 4.841 -12.156 -6.029 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.953 -10.824 -5.250 1.00 0.00 H new ATOM 0 HG23 VAL A 44 3.222 -11.704 -6.614 1.00 0.00 H new ATOM 697 N GLU A 45 4.375 -8.442 -9.680 1.00 0.00 N ATOM 698 CA GLU A 45 4.901 -7.555 -10.705 1.00 0.00 C ATOM 699 C GLU A 45 4.314 -6.155 -10.563 1.00 0.00 C ATOM 700 O GLU A 45 5.023 -5.152 -10.649 1.00 0.00 O ATOM 701 CB GLU A 45 4.573 -8.106 -12.084 1.00 0.00 C ATOM 702 CG GLU A 45 5.208 -9.451 -12.372 1.00 0.00 C ATOM 703 CD GLU A 45 6.703 -9.456 -12.139 1.00 0.00 C ATOM 704 OE1 GLU A 45 7.381 -8.492 -12.560 1.00 0.00 O ATOM 705 OE2 GLU A 45 7.209 -10.436 -11.555 1.00 0.00 O ATOM 0 H GLU A 45 3.927 -9.283 -10.043 1.00 0.00 H new ATOM 0 HA GLU A 45 5.982 -7.494 -10.583 1.00 0.00 H new ATOM 0 HB2 GLU A 45 3.491 -8.197 -12.181 1.00 0.00 H new ATOM 0 HB3 GLU A 45 4.901 -7.391 -12.838 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.744 -10.209 -11.741 1.00 0.00 H new ATOM 0 HG3 GLU A 45 5.005 -9.729 -13.406 1.00 0.00 H new ATOM 712 N GLU A 46 3.007 -6.104 -10.345 1.00 0.00 N ATOM 713 CA GLU A 46 2.299 -4.861 -10.163 1.00 0.00 C ATOM 714 C GLU A 46 2.657 -4.214 -8.831 1.00 0.00 C ATOM 715 O GLU A 46 2.919 -3.020 -8.770 1.00 0.00 O ATOM 716 CB GLU A 46 0.802 -5.129 -10.223 1.00 0.00 C ATOM 717 CG GLU A 46 0.310 -5.543 -11.603 1.00 0.00 C ATOM 718 CD GLU A 46 0.789 -4.609 -12.697 1.00 0.00 C ATOM 719 OE1 GLU A 46 0.180 -3.535 -12.883 1.00 0.00 O ATOM 720 OE2 GLU A 46 1.783 -4.942 -13.372 1.00 0.00 O ATOM 0 H GLU A 46 2.413 -6.931 -10.291 1.00 0.00 H new ATOM 0 HA GLU A 46 2.588 -4.173 -10.958 1.00 0.00 H new ATOM 0 HB2 GLU A 46 0.553 -5.913 -9.508 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.268 -4.231 -9.911 1.00 0.00 H new ATOM 0 HG2 GLU A 46 0.653 -6.555 -11.818 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -0.780 -5.569 -11.604 1.00 0.00 H new ATOM 727 N ASN A 47 2.648 -5.017 -7.775 1.00 0.00 N ATOM 728 CA ASN A 47 2.985 -4.553 -6.426 1.00 0.00 C ATOM 729 C ASN A 47 4.354 -3.885 -6.390 1.00 0.00 C ATOM 730 O ASN A 47 4.496 -2.785 -5.854 1.00 0.00 O ATOM 731 CB ASN A 47 2.966 -5.720 -5.427 1.00 0.00 C ATOM 732 CG ASN A 47 1.578 -6.298 -5.203 1.00 0.00 C ATOM 733 OD1 ASN A 47 1.429 -7.491 -4.952 1.00 0.00 O ATOM 734 ND2 ASN A 47 0.555 -5.460 -5.279 1.00 0.00 N ATOM 0 H ASN A 47 2.408 -6.007 -7.824 1.00 0.00 H new ATOM 0 HA ASN A 47 2.230 -3.819 -6.143 1.00 0.00 H new ATOM 0 HB2 ASN A 47 3.626 -6.509 -5.788 1.00 0.00 H new ATOM 0 HB3 ASN A 47 3.368 -5.379 -4.473 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -0.395 -5.799 -5.127 1.00 0.00 H new ATOM 0 HD22 ASN A 47 0.717 -4.475 -5.490 1.00 0.00 H new ATOM 741 N ASP A 48 5.349 -4.559 -6.959 1.00 0.00 N ATOM 742 CA ASP A 48 6.714 -4.036 -7.014 1.00 0.00 C ATOM 743 C ASP A 48 6.746 -2.673 -7.695 1.00 0.00 C ATOM 744 O ASP A 48 7.251 -1.697 -7.134 1.00 0.00 O ATOM 745 CB ASP A 48 7.620 -5.012 -7.765 1.00 0.00 C ATOM 746 CG ASP A 48 9.062 -4.547 -7.817 1.00 0.00 C ATOM 747 OD1 ASP A 48 9.823 -4.861 -6.880 1.00 0.00 O ATOM 748 OD2 ASP A 48 9.445 -3.875 -8.795 1.00 0.00 O ATOM 0 H ASP A 48 5.236 -5.476 -7.392 1.00 0.00 H new ATOM 0 HA ASP A 48 7.076 -3.921 -5.993 1.00 0.00 H new ATOM 0 HB2 ASP A 48 7.574 -5.989 -7.283 1.00 0.00 H new ATOM 0 HB3 ASP A 48 7.247 -5.140 -8.781 1.00 0.00 H new ATOM 753 N GLU A 49 6.192 -2.618 -8.900 1.00 0.00 N ATOM 754 CA GLU A 49 6.110 -1.378 -9.662 1.00 0.00 C ATOM 755 C GLU A 49 5.326 -0.312 -8.901 1.00 0.00 C ATOM 756 O GLU A 49 5.710 0.859 -8.879 1.00 0.00 O ATOM 757 CB GLU A 49 5.451 -1.645 -11.006 1.00 0.00 C ATOM 758 CG GLU A 49 6.311 -2.466 -11.945 1.00 0.00 C ATOM 759 CD GLU A 49 7.339 -1.635 -12.685 1.00 0.00 C ATOM 760 OE1 GLU A 49 8.444 -1.415 -12.142 1.00 0.00 O ATOM 761 OE2 GLU A 49 7.043 -1.198 -13.817 1.00 0.00 O ATOM 0 H GLU A 49 5.789 -3.426 -9.374 1.00 0.00 H new ATOM 0 HA GLU A 49 7.122 -1.005 -9.818 1.00 0.00 H new ATOM 0 HB2 GLU A 49 4.507 -2.164 -10.843 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.213 -0.693 -11.481 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.821 -3.243 -11.376 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.670 -2.970 -12.669 1.00 0.00 H new ATOM 768 N LEU A 50 4.235 -0.732 -8.268 1.00 0.00 N ATOM 769 CA LEU A 50 3.362 0.171 -7.532 1.00 0.00 C ATOM 770 C LEU A 50 4.117 0.834 -6.390 1.00 0.00 C ATOM 771 O LEU A 50 4.139 2.056 -6.274 1.00 0.00 O ATOM 772 CB LEU A 50 2.160 -0.601 -6.974 1.00 0.00 C ATOM 773 CG LEU A 50 0.930 0.244 -6.632 1.00 0.00 C ATOM 774 CD1 LEU A 50 0.323 0.831 -7.898 1.00 0.00 C ATOM 775 CD2 LEU A 50 -0.102 -0.592 -5.887 1.00 0.00 C ATOM 0 H LEU A 50 3.933 -1.706 -8.252 1.00 0.00 H new ATOM 0 HA LEU A 50 3.011 0.944 -8.216 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.867 -1.357 -7.702 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.477 -1.130 -6.075 1.00 0.00 H new ATOM 0 HG LEU A 50 1.243 1.063 -5.984 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -0.551 1.429 -7.639 1.00 0.00 H new ATOM 0 HD12 LEU A 50 1.060 1.461 -8.396 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.025 0.024 -8.567 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -0.969 0.025 -5.652 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.411 -1.430 -6.512 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.335 -0.971 -4.963 1.00 0.00 H new ATOM 787 N ALA A 51 4.750 0.013 -5.561 1.00 0.00 N ATOM 788 CA ALA A 51 5.479 0.499 -4.397 1.00 0.00 C ATOM 789 C ALA A 51 6.644 1.402 -4.795 1.00 0.00 C ATOM 790 O ALA A 51 6.876 2.442 -4.176 1.00 0.00 O ATOM 791 CB ALA A 51 5.979 -0.675 -3.568 1.00 0.00 C ATOM 0 H ALA A 51 4.773 -1.000 -5.675 1.00 0.00 H new ATOM 0 HA ALA A 51 4.791 1.096 -3.798 1.00 0.00 H new ATOM 0 HB1 ALA A 51 6.523 -0.302 -2.700 1.00 0.00 H new ATOM 0 HB2 ALA A 51 5.131 -1.273 -3.235 1.00 0.00 H new ATOM 0 HB3 ALA A 51 6.642 -1.292 -4.174 1.00 0.00 H new ATOM 797 N ALA A 52 7.367 1.007 -5.833 1.00 0.00 N ATOM 798 CA ALA A 52 8.512 1.774 -6.300 1.00 0.00 C ATOM 799 C ALA A 52 8.082 3.133 -6.841 1.00 0.00 C ATOM 800 O ALA A 52 8.682 4.163 -6.518 1.00 0.00 O ATOM 801 CB ALA A 52 9.270 0.997 -7.363 1.00 0.00 C ATOM 0 H ALA A 52 7.180 0.159 -6.368 1.00 0.00 H new ATOM 0 HA ALA A 52 9.173 1.945 -5.450 1.00 0.00 H new ATOM 0 HB1 ALA A 52 10.124 1.583 -7.703 1.00 0.00 H new ATOM 0 HB2 ALA A 52 9.621 0.054 -6.944 1.00 0.00 H new ATOM 0 HB3 ALA A 52 8.610 0.795 -8.206 1.00 0.00 H new ATOM 807 N ARG A 53 7.036 3.130 -7.660 1.00 0.00 N ATOM 808 CA ARG A 53 6.517 4.348 -8.247 1.00 0.00 C ATOM 809 C ARG A 53 5.875 5.231 -7.180 1.00 0.00 C ATOM 810 O ARG A 53 5.972 6.457 -7.236 1.00 0.00 O ATOM 811 CB ARG A 53 5.499 3.980 -9.324 1.00 0.00 C ATOM 812 CG ARG A 53 5.407 4.981 -10.453 1.00 0.00 C ATOM 813 CD ARG A 53 4.610 6.216 -10.063 1.00 0.00 C ATOM 814 NE ARG A 53 5.295 7.452 -10.435 1.00 0.00 N ATOM 815 CZ ARG A 53 4.680 8.593 -10.728 1.00 0.00 C ATOM 816 NH1 ARG A 53 3.351 8.652 -10.776 1.00 0.00 N ATOM 817 NH2 ARG A 53 5.405 9.669 -10.996 1.00 0.00 N ATOM 0 H ARG A 53 6.531 2.286 -7.931 1.00 0.00 H new ATOM 0 HA ARG A 53 7.335 4.913 -8.695 1.00 0.00 H new ATOM 0 HB2 ARG A 53 5.759 3.005 -9.737 1.00 0.00 H new ATOM 0 HB3 ARG A 53 4.517 3.879 -8.862 1.00 0.00 H new ATOM 0 HG2 ARG A 53 6.411 5.279 -10.755 1.00 0.00 H new ATOM 0 HG3 ARG A 53 4.941 4.509 -11.318 1.00 0.00 H new ATOM 0 HD2 ARG A 53 3.633 6.184 -10.546 1.00 0.00 H new ATOM 0 HD3 ARG A 53 4.434 6.209 -8.987 1.00 0.00 H new ATOM 0 HE ARG A 53 6.314 7.438 -10.472 1.00 0.00 H new ATOM 0 HH11 ARG A 53 2.796 7.817 -10.587 1.00 0.00 H new ATOM 0 HH12 ARG A 53 2.887 9.532 -11.002 1.00 0.00 H new ATOM 0 HH21 ARG A 53 6.423 9.616 -10.976 1.00 0.00 H new ATOM 0 HH22 ARG A 53 4.945 10.551 -11.222 1.00 0.00 H new ATOM 831 N TRP A 54 5.221 4.603 -6.209 1.00 0.00 N ATOM 832 CA TRP A 54 4.567 5.333 -5.133 1.00 0.00 C ATOM 833 C TRP A 54 5.591 6.128 -4.331 1.00 0.00 C ATOM 834 O TRP A 54 5.361 7.291 -3.993 1.00 0.00 O ATOM 835 CB TRP A 54 3.803 4.375 -4.213 1.00 0.00 C ATOM 836 CG TRP A 54 2.928 5.081 -3.222 1.00 0.00 C ATOM 837 CD1 TRP A 54 1.677 5.572 -3.444 1.00 0.00 C ATOM 838 CD2 TRP A 54 3.241 5.375 -1.856 1.00 0.00 C ATOM 839 NE1 TRP A 54 1.190 6.158 -2.301 1.00 0.00 N ATOM 840 CE2 TRP A 54 2.133 6.052 -1.312 1.00 0.00 C ATOM 841 CE3 TRP A 54 4.352 5.136 -1.042 1.00 0.00 C ATOM 842 CZ2 TRP A 54 2.103 6.487 0.010 1.00 0.00 C ATOM 843 CZ3 TRP A 54 4.322 5.571 0.269 1.00 0.00 C ATOM 844 CH2 TRP A 54 3.207 6.241 0.783 1.00 0.00 C ATOM 0 H TRP A 54 5.131 3.589 -6.146 1.00 0.00 H new ATOM 0 HA TRP A 54 3.853 6.027 -5.577 1.00 0.00 H new ATOM 0 HB2 TRP A 54 3.190 3.710 -4.821 1.00 0.00 H new ATOM 0 HB3 TRP A 54 4.517 3.749 -3.677 1.00 0.00 H new ATOM 0 HD1 TRP A 54 1.145 5.510 -4.382 1.00 0.00 H new ATOM 0 HE1 TRP A 54 0.276 6.600 -2.204 1.00 0.00 H new ATOM 0 HE3 TRP A 54 5.218 4.621 -1.431 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 1.241 6.999 0.411 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 5.174 5.391 0.908 1.00 0.00 H new ATOM 0 HH2 TRP A 54 3.217 6.571 1.811 1.00 0.00 H new ATOM 855 N ALA A 55 6.726 5.498 -4.044 1.00 0.00 N ATOM 856 CA ALA A 55 7.807 6.161 -3.329 1.00 0.00 C ATOM 857 C ALA A 55 8.244 7.420 -4.069 1.00 0.00 C ATOM 858 O ALA A 55 8.410 8.478 -3.464 1.00 0.00 O ATOM 859 CB ALA A 55 8.984 5.215 -3.147 1.00 0.00 C ATOM 0 H ALA A 55 6.919 4.529 -4.296 1.00 0.00 H new ATOM 0 HA ALA A 55 7.441 6.450 -2.344 1.00 0.00 H new ATOM 0 HB1 ALA A 55 9.783 5.727 -2.611 1.00 0.00 H new ATOM 0 HB2 ALA A 55 8.665 4.343 -2.576 1.00 0.00 H new ATOM 0 HB3 ALA A 55 9.349 4.896 -4.123 1.00 0.00 H new ATOM 865 N GLU A 56 8.407 7.298 -5.386 1.00 0.00 N ATOM 866 CA GLU A 56 8.767 8.397 -6.231 1.00 0.00 C ATOM 867 C GLU A 56 7.748 9.529 -6.130 1.00 0.00 C ATOM 868 O GLU A 56 8.113 10.692 -5.965 1.00 0.00 O ATOM 869 CB GLU A 56 8.846 7.888 -7.662 1.00 0.00 C ATOM 870 CG GLU A 56 9.027 8.997 -8.646 1.00 0.00 C ATOM 871 CD GLU A 56 9.004 8.540 -10.088 1.00 0.00 C ATOM 872 OE1 GLU A 56 7.933 8.106 -10.564 1.00 0.00 O ATOM 873 OE2 GLU A 56 10.048 8.638 -10.766 1.00 0.00 O ATOM 0 H GLU A 56 8.288 6.417 -5.886 1.00 0.00 H new ATOM 0 HA GLU A 56 9.730 8.797 -5.915 1.00 0.00 H new ATOM 0 HB2 GLU A 56 9.676 7.187 -7.751 1.00 0.00 H new ATOM 0 HB3 GLU A 56 7.936 7.338 -7.901 1.00 0.00 H new ATOM 0 HG2 GLU A 56 8.240 9.736 -8.496 1.00 0.00 H new ATOM 0 HG3 GLU A 56 9.975 9.496 -8.447 1.00 0.00 H new ATOM 880 N GLY A 57 6.470 9.173 -6.233 1.00 0.00 N ATOM 881 CA GLY A 57 5.407 10.157 -6.174 1.00 0.00 C ATOM 882 C GLY A 57 5.375 10.905 -4.855 1.00 0.00 C ATOM 883 O GLY A 57 5.223 12.125 -4.827 1.00 0.00 O ATOM 0 H GLY A 57 6.152 8.212 -6.357 1.00 0.00 H new ATOM 0 HA2 GLY A 57 5.532 10.870 -6.989 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.449 9.661 -6.329 1.00 0.00 H new ATOM 887 N ALA A 58 5.526 10.173 -3.762 1.00 0.00 N ATOM 888 CA ALA A 58 5.523 10.776 -2.437 1.00 0.00 C ATOM 889 C ALA A 58 6.744 11.671 -2.241 1.00 0.00 C ATOM 890 O ALA A 58 6.635 12.792 -1.739 1.00 0.00 O ATOM 891 CB ALA A 58 5.472 9.694 -1.373 1.00 0.00 C ATOM 0 H ALA A 58 5.652 9.161 -3.766 1.00 0.00 H new ATOM 0 HA ALA A 58 4.635 11.401 -2.343 1.00 0.00 H new ATOM 0 HB1 ALA A 58 5.470 10.155 -0.385 1.00 0.00 H new ATOM 0 HB2 ALA A 58 4.565 9.102 -1.499 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.344 9.047 -1.470 1.00 0.00 H new ATOM 897 N LEU A 59 7.904 11.174 -2.654 1.00 0.00 N ATOM 898 CA LEU A 59 9.145 11.915 -2.546 1.00 0.00 C ATOM 899 C LEU A 59 9.101 13.185 -3.392 1.00 0.00 C ATOM 900 O LEU A 59 9.674 14.211 -3.025 1.00 0.00 O ATOM 901 CB LEU A 59 10.301 11.027 -2.989 1.00 0.00 C ATOM 902 CG LEU A 59 10.688 9.913 -2.009 1.00 0.00 C ATOM 903 CD1 LEU A 59 11.812 9.061 -2.579 1.00 0.00 C ATOM 904 CD2 LEU A 59 11.094 10.495 -0.665 1.00 0.00 C ATOM 0 H LEU A 59 8.006 10.249 -3.071 1.00 0.00 H new ATOM 0 HA LEU A 59 9.288 12.211 -1.507 1.00 0.00 H new ATOM 0 HB2 LEU A 59 10.042 10.573 -3.945 1.00 0.00 H new ATOM 0 HB3 LEU A 59 11.175 11.656 -3.161 1.00 0.00 H new ATOM 0 HG LEU A 59 9.816 9.277 -1.859 1.00 0.00 H new ATOM 0 HD11 LEU A 59 12.071 8.277 -1.868 1.00 0.00 H new ATOM 0 HD12 LEU A 59 11.486 8.608 -3.515 1.00 0.00 H new ATOM 0 HD13 LEU A 59 12.685 9.687 -2.763 1.00 0.00 H new ATOM 0 HD21 LEU A 59 11.364 9.687 0.015 1.00 0.00 H new ATOM 0 HD22 LEU A 59 11.949 11.158 -0.799 1.00 0.00 H new ATOM 0 HD23 LEU A 59 10.260 11.058 -0.246 1.00 0.00 H new ATOM 916 N GLU A 60 8.430 13.095 -4.532 1.00 0.00 N ATOM 917 CA GLU A 60 8.223 14.244 -5.412 1.00 0.00 C ATOM 918 C GLU A 60 7.565 15.400 -4.654 1.00 0.00 C ATOM 919 O GLU A 60 8.055 16.527 -4.671 1.00 0.00 O ATOM 920 CB GLU A 60 7.347 13.838 -6.602 1.00 0.00 C ATOM 921 CG GLU A 60 7.091 14.960 -7.596 1.00 0.00 C ATOM 922 CD GLU A 60 8.322 15.335 -8.396 1.00 0.00 C ATOM 923 OE1 GLU A 60 9.101 16.196 -7.939 1.00 0.00 O ATOM 924 OE2 GLU A 60 8.502 14.782 -9.501 1.00 0.00 O ATOM 0 H GLU A 60 8.014 12.229 -4.875 1.00 0.00 H new ATOM 0 HA GLU A 60 9.195 14.578 -5.774 1.00 0.00 H new ATOM 0 HB2 GLU A 60 7.823 13.007 -7.123 1.00 0.00 H new ATOM 0 HB3 GLU A 60 6.390 13.474 -6.228 1.00 0.00 H new ATOM 0 HG2 GLU A 60 6.298 14.658 -8.280 1.00 0.00 H new ATOM 0 HG3 GLU A 60 6.732 15.838 -7.060 1.00 0.00 H new ATOM 931 N LEU A 61 6.470 15.110 -3.971 1.00 0.00 N ATOM 932 CA LEU A 61 5.717 16.144 -3.272 1.00 0.00 C ATOM 933 C LEU A 61 6.532 16.780 -2.148 1.00 0.00 C ATOM 934 O LEU A 61 6.492 17.997 -1.962 1.00 0.00 O ATOM 935 CB LEU A 61 4.404 15.580 -2.716 1.00 0.00 C ATOM 936 CG LEU A 61 3.209 15.620 -3.675 1.00 0.00 C ATOM 937 CD1 LEU A 61 3.487 14.833 -4.945 1.00 0.00 C ATOM 938 CD2 LEU A 61 1.964 15.089 -2.985 1.00 0.00 C ATOM 0 H LEU A 61 6.082 14.171 -3.884 1.00 0.00 H new ATOM 0 HA LEU A 61 5.489 16.922 -4.001 1.00 0.00 H new ATOM 0 HB2 LEU A 61 4.572 14.546 -2.416 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.143 16.135 -1.815 1.00 0.00 H new ATOM 0 HG LEU A 61 3.043 16.659 -3.959 1.00 0.00 H new ATOM 0 HD11 LEU A 61 2.618 14.883 -5.602 1.00 0.00 H new ATOM 0 HD12 LEU A 61 4.352 15.258 -5.454 1.00 0.00 H new ATOM 0 HD13 LEU A 61 3.690 13.793 -4.691 1.00 0.00 H new ATOM 0 HD21 LEU A 61 1.122 15.123 -3.677 1.00 0.00 H new ATOM 0 HD22 LEU A 61 2.134 14.059 -2.670 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.741 15.703 -2.113 1.00 0.00 H new ATOM 950 N ILE A 62 7.294 15.968 -1.419 1.00 0.00 N ATOM 951 CA ILE A 62 8.021 16.469 -0.252 1.00 0.00 C ATOM 952 C ILE A 62 9.217 17.343 -0.649 1.00 0.00 C ATOM 953 O ILE A 62 9.627 18.215 0.114 1.00 0.00 O ATOM 954 CB ILE A 62 8.502 15.332 0.682 1.00 0.00 C ATOM 955 CG1 ILE A 62 9.648 14.541 0.054 1.00 0.00 C ATOM 956 CG2 ILE A 62 7.347 14.403 1.017 1.00 0.00 C ATOM 957 CD1 ILE A 62 10.262 13.519 0.986 1.00 0.00 C ATOM 0 H ILE A 62 7.424 14.975 -1.610 1.00 0.00 H new ATOM 0 HA ILE A 62 7.304 17.081 0.295 1.00 0.00 H new ATOM 0 HB ILE A 62 8.873 15.788 1.600 1.00 0.00 H new ATOM 0 HG12 ILE A 62 9.281 14.033 -0.838 1.00 0.00 H new ATOM 0 HG13 ILE A 62 10.423 15.236 -0.271 1.00 0.00 H new ATOM 0 HG21 ILE A 62 7.699 13.608 1.674 1.00 0.00 H new ATOM 0 HG22 ILE A 62 6.560 14.967 1.518 1.00 0.00 H new ATOM 0 HG23 ILE A 62 6.953 13.967 0.099 1.00 0.00 H new ATOM 0 HD11 ILE A 62 11.069 12.996 0.472 1.00 0.00 H new ATOM 0 HD12 ILE A 62 10.660 14.023 1.867 1.00 0.00 H new ATOM 0 HD13 ILE A 62 9.501 12.801 1.291 1.00 0.00 H new ATOM 969 N LYS A 63 9.773 17.113 -1.839 1.00 0.00 N ATOM 970 CA LYS A 63 10.914 17.901 -2.306 1.00 0.00 C ATOM 971 C LYS A 63 10.441 19.230 -2.887 1.00 0.00 C ATOM 972 O LYS A 63 11.159 20.231 -2.845 1.00 0.00 O ATOM 973 CB LYS A 63 11.726 17.119 -3.350 1.00 0.00 C ATOM 974 CG LYS A 63 10.952 16.816 -4.623 1.00 0.00 C ATOM 975 CD LYS A 63 11.643 15.770 -5.483 1.00 0.00 C ATOM 976 CE LYS A 63 12.423 16.387 -6.630 1.00 0.00 C ATOM 977 NZ LYS A 63 11.535 17.105 -7.582 1.00 0.00 N ATOM 0 H LYS A 63 9.456 16.395 -2.491 1.00 0.00 H new ATOM 0 HA LYS A 63 11.561 18.104 -1.452 1.00 0.00 H new ATOM 0 HB2 LYS A 63 12.619 17.690 -3.605 1.00 0.00 H new ATOM 0 HB3 LYS A 63 12.063 16.181 -2.908 1.00 0.00 H new ATOM 0 HG2 LYS A 63 9.952 16.467 -4.364 1.00 0.00 H new ATOM 0 HG3 LYS A 63 10.830 17.734 -5.199 1.00 0.00 H new ATOM 0 HD2 LYS A 63 12.319 15.182 -4.862 1.00 0.00 H new ATOM 0 HD3 LYS A 63 10.898 15.082 -5.883 1.00 0.00 H new ATOM 0 HE2 LYS A 63 13.165 17.080 -6.233 1.00 0.00 H new ATOM 0 HE3 LYS A 63 12.968 15.606 -7.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 11.778 16.833 -8.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 10.544 16.854 -7.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 11.661 18.131 -7.468 1.00 0.00 H new ATOM 991 N VAL A 64 9.226 19.234 -3.422 1.00 0.00 N ATOM 992 CA VAL A 64 8.671 20.429 -4.041 1.00 0.00 C ATOM 993 C VAL A 64 8.075 21.372 -2.993 1.00 0.00 C ATOM 994 O VAL A 64 8.243 22.591 -3.074 1.00 0.00 O ATOM 995 CB VAL A 64 7.598 20.066 -5.093 1.00 0.00 C ATOM 996 CG1 VAL A 64 6.988 21.316 -5.708 1.00 0.00 C ATOM 997 CG2 VAL A 64 8.193 19.184 -6.181 1.00 0.00 C ATOM 0 H VAL A 64 8.607 18.423 -3.439 1.00 0.00 H new ATOM 0 HA VAL A 64 9.491 20.942 -4.543 1.00 0.00 H new ATOM 0 HB VAL A 64 6.807 19.514 -4.585 1.00 0.00 H new ATOM 0 HG11 VAL A 64 6.237 21.030 -6.444 1.00 0.00 H new ATOM 0 HG12 VAL A 64 6.521 21.915 -4.927 1.00 0.00 H new ATOM 0 HG13 VAL A 64 7.769 21.900 -6.195 1.00 0.00 H new ATOM 0 HG21 VAL A 64 7.423 18.939 -6.912 1.00 0.00 H new ATOM 0 HG22 VAL A 64 9.007 19.715 -6.675 1.00 0.00 H new ATOM 0 HG23 VAL A 64 8.576 18.266 -5.736 1.00 0.00 H new ATOM 1007 N ARG A 65 7.394 20.811 -2.003 1.00 0.00 N ATOM 1008 CA ARG A 65 6.766 21.618 -0.966 1.00 0.00 C ATOM 1009 C ARG A 65 6.710 20.869 0.361 1.00 0.00 C ATOM 1010 O ARG A 65 7.258 19.778 0.490 1.00 0.00 O ATOM 1011 CB ARG A 65 5.363 22.043 -1.399 1.00 0.00 C ATOM 1012 CG ARG A 65 4.478 20.898 -1.860 1.00 0.00 C ATOM 1013 CD ARG A 65 3.118 21.411 -2.292 1.00 0.00 C ATOM 1014 NE ARG A 65 3.233 22.509 -3.250 1.00 0.00 N ATOM 1015 CZ ARG A 65 2.204 23.243 -3.665 1.00 0.00 C ATOM 1016 NH1 ARG A 65 0.987 23.006 -3.192 1.00 0.00 N ATOM 1017 NH2 ARG A 65 2.397 24.214 -4.550 1.00 0.00 N ATOM 0 H ARG A 65 7.263 19.805 -1.896 1.00 0.00 H new ATOM 0 HA ARG A 65 7.375 22.510 -0.821 1.00 0.00 H new ATOM 0 HB2 ARG A 65 4.876 22.550 -0.566 1.00 0.00 H new ATOM 0 HB3 ARG A 65 5.449 22.769 -2.208 1.00 0.00 H new ATOM 0 HG2 ARG A 65 4.955 20.375 -2.689 1.00 0.00 H new ATOM 0 HG3 ARG A 65 4.360 20.175 -1.052 1.00 0.00 H new ATOM 0 HD2 ARG A 65 2.547 20.597 -2.739 1.00 0.00 H new ATOM 0 HD3 ARG A 65 2.562 21.748 -1.417 1.00 0.00 H new ATOM 0 HE ARG A 65 4.158 22.725 -3.623 1.00 0.00 H new ATOM 0 HH11 ARG A 65 0.841 22.261 -2.510 1.00 0.00 H new ATOM 0 HH12 ARG A 65 0.198 23.569 -3.510 1.00 0.00 H new ATOM 0 HH21 ARG A 65 3.333 24.396 -4.911 1.00 0.00 H new ATOM 0 HH22 ARG A 65 1.609 24.777 -4.869 1.00 0.00 H new ATOM 1031 N ARG A 66 6.068 21.473 1.351 1.00 0.00 N ATOM 1032 CA ARG A 66 5.976 20.882 2.683 1.00 0.00 C ATOM 1033 C ARG A 66 4.660 20.136 2.872 1.00 0.00 C ATOM 1034 O ARG A 66 3.580 20.718 2.747 1.00 0.00 O ATOM 1035 CB ARG A 66 6.111 21.960 3.764 1.00 0.00 C ATOM 1036 CG ARG A 66 7.530 22.176 4.284 1.00 0.00 C ATOM 1037 CD ARG A 66 8.482 22.704 3.216 1.00 0.00 C ATOM 1038 NE ARG A 66 8.989 21.644 2.341 1.00 0.00 N ATOM 1039 CZ ARG A 66 10.277 21.489 2.034 1.00 0.00 C ATOM 1040 NH1 ARG A 66 11.196 22.269 2.586 1.00 0.00 N ATOM 1041 NH2 ARG A 66 10.653 20.538 1.189 1.00 0.00 N ATOM 0 H ARG A 66 5.601 22.375 1.259 1.00 0.00 H new ATOM 0 HA ARG A 66 6.796 20.170 2.778 1.00 0.00 H new ATOM 0 HB2 ARG A 66 5.739 22.903 3.364 1.00 0.00 H new ATOM 0 HB3 ARG A 66 5.469 21.694 4.604 1.00 0.00 H new ATOM 0 HG2 ARG A 66 7.503 22.878 5.118 1.00 0.00 H new ATOM 0 HG3 ARG A 66 7.916 21.234 4.673 1.00 0.00 H new ATOM 0 HD2 ARG A 66 7.967 23.453 2.614 1.00 0.00 H new ATOM 0 HD3 ARG A 66 9.321 23.205 3.698 1.00 0.00 H new ATOM 0 HE ARG A 66 8.318 20.987 1.944 1.00 0.00 H new ATOM 0 HH11 ARG A 66 10.919 22.992 3.250 1.00 0.00 H new ATOM 0 HH12 ARG A 66 12.180 22.146 2.347 1.00 0.00 H new ATOM 0 HH21 ARG A 66 9.956 19.922 0.771 1.00 0.00 H new ATOM 0 HH22 ARG A 66 11.640 20.423 0.957 1.00 0.00 H new ATOM 1055 N PRO A 67 4.740 18.831 3.162 1.00 0.00 N ATOM 1056 CA PRO A 67 3.578 18.017 3.500 1.00 0.00 C ATOM 1057 C PRO A 67 3.203 18.180 4.968 1.00 0.00 C ATOM 1058 O PRO A 67 4.013 18.642 5.776 1.00 0.00 O ATOM 1059 CB PRO A 67 4.042 16.579 3.225 1.00 0.00 C ATOM 1060 CG PRO A 67 5.469 16.674 2.781 1.00 0.00 C ATOM 1061 CD PRO A 67 5.963 18.035 3.178 1.00 0.00 C ATOM 0 HA PRO A 67 2.694 18.298 2.927 1.00 0.00 H new ATOM 0 HB2 PRO A 67 3.954 15.964 4.121 1.00 0.00 H new ATOM 0 HB3 PRO A 67 3.426 16.112 2.456 1.00 0.00 H new ATOM 0 HG2 PRO A 67 6.071 15.894 3.248 1.00 0.00 H new ATOM 0 HG3 PRO A 67 5.547 16.535 1.703 1.00 0.00 H new ATOM 0 HD2 PRO A 67 6.429 18.026 4.163 1.00 0.00 H new ATOM 0 HD3 PRO A 67 6.706 18.418 2.478 1.00 0.00 H new ATOM 1069 N LYS A 68 1.986 17.801 5.320 1.00 0.00 N ATOM 1070 CA LYS A 68 1.510 17.977 6.683 1.00 0.00 C ATOM 1071 C LYS A 68 1.473 16.649 7.434 1.00 0.00 C ATOM 1072 O LYS A 68 1.966 16.549 8.558 1.00 0.00 O ATOM 1073 CB LYS A 68 0.115 18.623 6.704 1.00 0.00 C ATOM 1074 CG LYS A 68 0.048 20.016 6.076 1.00 0.00 C ATOM 1075 CD LYS A 68 0.041 19.974 4.548 1.00 0.00 C ATOM 1076 CE LYS A 68 -1.324 19.592 3.973 1.00 0.00 C ATOM 1077 NZ LYS A 68 -1.765 18.236 4.394 1.00 0.00 N ATOM 0 H LYS A 68 1.312 17.372 4.686 1.00 0.00 H new ATOM 0 HA LYS A 68 2.213 18.642 7.185 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -0.582 17.969 6.180 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -0.225 18.688 7.738 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -0.850 20.525 6.426 1.00 0.00 H new ATOM 0 HG3 LYS A 68 0.900 20.605 6.415 1.00 0.00 H new ATOM 0 HD2 LYS A 68 0.333 20.950 4.161 1.00 0.00 H new ATOM 0 HD3 LYS A 68 0.788 19.258 4.205 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -2.065 20.325 4.290 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -1.280 19.634 2.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -2.444 17.861 3.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -0.941 17.604 4.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -2.219 18.293 5.328 1.00 0.00 H new ATOM 1091 N TYR A 69 0.889 15.635 6.817 1.00 0.00 N ATOM 1092 CA TYR A 69 0.694 14.352 7.486 1.00 0.00 C ATOM 1093 C TYR A 69 1.843 13.373 7.221 1.00 0.00 C ATOM 1094 O TYR A 69 2.427 12.820 8.160 1.00 0.00 O ATOM 1095 CB TYR A 69 -0.620 13.714 7.033 1.00 0.00 C ATOM 1096 CG TYR A 69 -1.875 14.459 7.439 1.00 0.00 C ATOM 1097 CD1 TYR A 69 -2.455 14.257 8.687 1.00 0.00 C ATOM 1098 CD2 TYR A 69 -2.490 15.347 6.565 1.00 0.00 C ATOM 1099 CE1 TYR A 69 -3.612 14.923 9.050 1.00 0.00 C ATOM 1100 CE2 TYR A 69 -3.647 16.013 6.922 1.00 0.00 C ATOM 1101 CZ TYR A 69 -4.203 15.800 8.163 1.00 0.00 C ATOM 1102 OH TYR A 69 -5.356 16.464 8.518 1.00 0.00 O ATOM 0 H TYR A 69 0.542 15.671 5.859 1.00 0.00 H new ATOM 0 HA TYR A 69 0.666 14.557 8.556 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -0.606 13.624 5.947 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -0.671 12.702 7.436 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -1.996 13.570 9.383 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -2.057 15.520 5.591 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -4.051 14.757 10.023 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -4.113 16.698 6.230 1.00 0.00 H new ATOM 0 HH TYR A 69 -5.640 17.043 7.780 1.00 0.00 H new ATOM 1112 N VAL A 70 2.154 13.155 5.947 1.00 0.00 N ATOM 1113 CA VAL A 70 3.108 12.118 5.555 1.00 0.00 C ATOM 1114 C VAL A 70 4.539 12.493 5.942 1.00 0.00 C ATOM 1115 O VAL A 70 4.893 13.672 5.997 1.00 0.00 O ATOM 1116 CB VAL A 70 3.030 11.824 4.034 1.00 0.00 C ATOM 1117 CG1 VAL A 70 3.507 13.012 3.212 1.00 0.00 C ATOM 1118 CG2 VAL A 70 3.824 10.576 3.680 1.00 0.00 C ATOM 0 H VAL A 70 1.760 13.681 5.167 1.00 0.00 H new ATOM 0 HA VAL A 70 2.832 11.214 6.098 1.00 0.00 H new ATOM 0 HB VAL A 70 1.983 11.647 3.789 1.00 0.00 H new ATOM 0 HG11 VAL A 70 3.439 12.771 2.151 1.00 0.00 H new ATOM 0 HG12 VAL A 70 2.882 13.879 3.428 1.00 0.00 H new ATOM 0 HG13 VAL A 70 4.542 13.239 3.467 1.00 0.00 H new ATOM 0 HG21 VAL A 70 3.753 10.392 2.608 1.00 0.00 H new ATOM 0 HG22 VAL A 70 4.869 10.719 3.955 1.00 0.00 H new ATOM 0 HG23 VAL A 70 3.420 9.721 4.223 1.00 0.00 H new ATOM 1128 N HIS A 71 5.350 11.480 6.232 1.00 0.00 N ATOM 1129 CA HIS A 71 6.744 11.688 6.604 1.00 0.00 C ATOM 1130 C HIS A 71 7.645 10.753 5.807 1.00 0.00 C ATOM 1131 O HIS A 71 7.203 9.697 5.355 1.00 0.00 O ATOM 1132 CB HIS A 71 6.937 11.463 8.107 1.00 0.00 C ATOM 1133 CG HIS A 71 6.477 12.609 8.958 1.00 0.00 C ATOM 1134 ND1 HIS A 71 5.147 12.917 9.165 1.00 0.00 N ATOM 1135 CD2 HIS A 71 7.183 13.530 9.656 1.00 0.00 C ATOM 1136 CE1 HIS A 71 5.060 13.974 9.950 1.00 0.00 C ATOM 1137 NE2 HIS A 71 6.279 14.366 10.264 1.00 0.00 N ATOM 0 H HIS A 71 5.063 10.501 6.216 1.00 0.00 H new ATOM 0 HA HIS A 71 7.016 12.718 6.373 1.00 0.00 H new ATOM 0 HB2 HIS A 71 6.396 10.564 8.402 1.00 0.00 H new ATOM 0 HB3 HIS A 71 7.993 11.278 8.304 1.00 0.00 H new ATOM 0 HD1 HIS A 71 4.356 12.407 8.772 1.00 0.00 H new ATOM 0 HD2 HIS A 71 8.259 13.595 9.722 1.00 0.00 H new ATOM 0 HE1 HIS A 71 4.143 14.440 10.280 1.00 0.00 H new ATOM 1146 N LYS A 72 8.906 11.143 5.646 1.00 0.00 N ATOM 1147 CA LYS A 72 9.862 10.387 4.839 1.00 0.00 C ATOM 1148 C LYS A 72 10.065 8.972 5.380 1.00 0.00 C ATOM 1149 O LYS A 72 10.084 8.004 4.616 1.00 0.00 O ATOM 1150 CB LYS A 72 11.199 11.129 4.784 1.00 0.00 C ATOM 1151 CG LYS A 72 12.317 10.341 4.120 1.00 0.00 C ATOM 1152 CD LYS A 72 13.587 11.165 4.017 1.00 0.00 C ATOM 1153 CE LYS A 72 14.770 10.319 3.577 1.00 0.00 C ATOM 1154 NZ LYS A 72 15.089 9.250 4.563 1.00 0.00 N ATOM 0 H LYS A 72 9.294 11.987 6.068 1.00 0.00 H new ATOM 0 HA LYS A 72 9.454 10.299 3.832 1.00 0.00 H new ATOM 0 HB2 LYS A 72 11.060 12.067 4.246 1.00 0.00 H new ATOM 0 HB3 LYS A 72 11.502 11.386 5.799 1.00 0.00 H new ATOM 0 HG2 LYS A 72 12.515 9.434 4.692 1.00 0.00 H new ATOM 0 HG3 LYS A 72 12.002 10.028 3.124 1.00 0.00 H new ATOM 0 HD2 LYS A 72 13.437 11.978 3.307 1.00 0.00 H new ATOM 0 HD3 LYS A 72 13.805 11.621 4.983 1.00 0.00 H new ATOM 0 HE2 LYS A 72 14.552 9.867 2.610 1.00 0.00 H new ATOM 0 HE3 LYS A 72 15.642 10.958 3.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 16.048 8.889 4.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 15.039 9.640 5.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 14.403 8.474 4.468 1.00 0.00 H new ATOM 1168 N GLU A 73 10.205 8.859 6.698 1.00 0.00 N ATOM 1169 CA GLU A 73 10.393 7.566 7.354 1.00 0.00 C ATOM 1170 C GLU A 73 9.258 6.605 7.011 1.00 0.00 C ATOM 1171 O GLU A 73 9.468 5.400 6.866 1.00 0.00 O ATOM 1172 CB GLU A 73 10.478 7.761 8.866 1.00 0.00 C ATOM 1173 CG GLU A 73 11.734 8.491 9.310 1.00 0.00 C ATOM 1174 CD GLU A 73 11.573 9.166 10.654 1.00 0.00 C ATOM 1175 OE1 GLU A 73 11.534 8.462 11.682 1.00 0.00 O ATOM 1176 OE2 GLU A 73 11.473 10.413 10.684 1.00 0.00 O ATOM 0 H GLU A 73 10.192 9.653 7.338 1.00 0.00 H new ATOM 0 HA GLU A 73 11.324 7.130 6.993 1.00 0.00 H new ATOM 0 HB2 GLU A 73 9.604 8.319 9.203 1.00 0.00 H new ATOM 0 HB3 GLU A 73 10.441 6.787 9.353 1.00 0.00 H new ATOM 0 HG2 GLU A 73 12.562 7.784 9.360 1.00 0.00 H new ATOM 0 HG3 GLU A 73 11.998 9.238 8.562 1.00 0.00 H new ATOM 1183 N GLN A 74 8.057 7.157 6.870 1.00 0.00 N ATOM 1184 CA GLN A 74 6.881 6.374 6.521 1.00 0.00 C ATOM 1185 C GLN A 74 6.953 5.884 5.078 1.00 0.00 C ATOM 1186 O GLN A 74 6.717 4.709 4.797 1.00 0.00 O ATOM 1187 CB GLN A 74 5.613 7.208 6.734 1.00 0.00 C ATOM 1188 CG GLN A 74 5.227 7.374 8.197 1.00 0.00 C ATOM 1189 CD GLN A 74 4.777 6.074 8.848 1.00 0.00 C ATOM 1190 OE1 GLN A 74 5.225 4.987 8.486 1.00 0.00 O ATOM 1191 NE2 GLN A 74 3.883 6.179 9.818 1.00 0.00 N ATOM 0 H GLN A 74 7.874 8.153 6.994 1.00 0.00 H new ATOM 0 HA GLN A 74 6.849 5.500 7.172 1.00 0.00 H new ATOM 0 HB2 GLN A 74 5.759 8.194 6.292 1.00 0.00 H new ATOM 0 HB3 GLN A 74 4.786 6.739 6.201 1.00 0.00 H new ATOM 0 HG2 GLN A 74 6.079 7.773 8.748 1.00 0.00 H new ATOM 0 HG3 GLN A 74 4.425 8.108 8.274 1.00 0.00 H new ATOM 0 HE21 GLN A 74 3.533 7.097 10.092 1.00 0.00 H new ATOM 0 HE22 GLN A 74 3.544 5.342 10.292 1.00 0.00 H new ATOM 1200 N ILE A 75 7.309 6.788 4.175 1.00 0.00 N ATOM 1201 CA ILE A 75 7.361 6.485 2.747 1.00 0.00 C ATOM 1202 C ILE A 75 8.313 5.326 2.452 1.00 0.00 C ATOM 1203 O ILE A 75 8.004 4.439 1.649 1.00 0.00 O ATOM 1204 CB ILE A 75 7.801 7.729 1.943 1.00 0.00 C ATOM 1205 CG1 ILE A 75 6.865 8.907 2.238 1.00 0.00 C ATOM 1206 CG2 ILE A 75 7.815 7.420 0.451 1.00 0.00 C ATOM 1207 CD1 ILE A 75 7.327 10.224 1.650 1.00 0.00 C ATOM 0 H ILE A 75 7.569 7.747 4.407 1.00 0.00 H new ATOM 0 HA ILE A 75 6.356 6.192 2.442 1.00 0.00 H new ATOM 0 HB ILE A 75 8.812 8.002 2.247 1.00 0.00 H new ATOM 0 HG12 ILE A 75 5.873 8.676 1.850 1.00 0.00 H new ATOM 0 HG13 ILE A 75 6.767 9.018 3.318 1.00 0.00 H new ATOM 0 HG21 ILE A 75 8.127 8.306 -0.101 1.00 0.00 H new ATOM 0 HG22 ILE A 75 8.513 6.606 0.255 1.00 0.00 H new ATOM 0 HG23 ILE A 75 6.815 7.126 0.131 1.00 0.00 H new ATOM 0 HD11 ILE A 75 6.611 11.006 1.903 1.00 0.00 H new ATOM 0 HD12 ILE A 75 8.305 10.481 2.057 1.00 0.00 H new ATOM 0 HD13 ILE A 75 7.398 10.134 0.566 1.00 0.00 H new ATOM 1219 N GLU A 76 9.456 5.318 3.122 1.00 0.00 N ATOM 1220 CA GLU A 76 10.459 4.287 2.900 1.00 0.00 C ATOM 1221 C GLU A 76 10.018 2.956 3.500 1.00 0.00 C ATOM 1222 O GLU A 76 10.424 1.890 3.032 1.00 0.00 O ATOM 1223 CB GLU A 76 11.801 4.713 3.492 1.00 0.00 C ATOM 1224 CG GLU A 76 12.352 5.991 2.882 1.00 0.00 C ATOM 1225 CD GLU A 76 13.707 6.364 3.442 1.00 0.00 C ATOM 1226 OE1 GLU A 76 13.758 6.996 4.516 1.00 0.00 O ATOM 1227 OE2 GLU A 76 14.728 6.022 2.811 1.00 0.00 O ATOM 0 H GLU A 76 9.712 6.013 3.823 1.00 0.00 H new ATOM 0 HA GLU A 76 10.574 4.155 1.824 1.00 0.00 H new ATOM 0 HB2 GLU A 76 11.688 4.852 4.567 1.00 0.00 H new ATOM 0 HB3 GLU A 76 12.524 3.910 3.349 1.00 0.00 H new ATOM 0 HG2 GLU A 76 12.430 5.870 1.802 1.00 0.00 H new ATOM 0 HG3 GLU A 76 11.651 6.807 3.061 1.00 0.00 H new ATOM 1234 N ALA A 77 9.180 3.022 4.527 1.00 0.00 N ATOM 1235 CA ALA A 77 8.697 1.825 5.198 1.00 0.00 C ATOM 1236 C ALA A 77 7.570 1.169 4.409 1.00 0.00 C ATOM 1237 O ALA A 77 7.540 -0.052 4.257 1.00 0.00 O ATOM 1238 CB ALA A 77 8.231 2.156 6.608 1.00 0.00 C ATOM 0 H ALA A 77 8.821 3.895 4.913 1.00 0.00 H new ATOM 0 HA ALA A 77 9.524 1.118 5.258 1.00 0.00 H new ATOM 0 HB1 ALA A 77 7.873 1.249 7.095 1.00 0.00 H new ATOM 0 HB2 ALA A 77 9.063 2.570 7.178 1.00 0.00 H new ATOM 0 HB3 ALA A 77 7.423 2.886 6.562 1.00 0.00 H new ATOM 1244 N VAL A 78 6.661 1.991 3.887 1.00 0.00 N ATOM 1245 CA VAL A 78 5.493 1.492 3.164 1.00 0.00 C ATOM 1246 C VAL A 78 5.888 0.563 2.017 1.00 0.00 C ATOM 1247 O VAL A 78 5.229 -0.444 1.785 1.00 0.00 O ATOM 1248 CB VAL A 78 4.627 2.652 2.617 1.00 0.00 C ATOM 1249 CG1 VAL A 78 3.485 2.131 1.755 1.00 0.00 C ATOM 1250 CG2 VAL A 78 4.079 3.493 3.760 1.00 0.00 C ATOM 0 H VAL A 78 6.711 3.008 3.952 1.00 0.00 H new ATOM 0 HA VAL A 78 4.905 0.922 3.883 1.00 0.00 H new ATOM 0 HB VAL A 78 5.265 3.277 1.992 1.00 0.00 H new ATOM 0 HG11 VAL A 78 2.895 2.970 1.386 1.00 0.00 H new ATOM 0 HG12 VAL A 78 3.891 1.574 0.911 1.00 0.00 H new ATOM 0 HG13 VAL A 78 2.850 1.475 2.350 1.00 0.00 H new ATOM 0 HG21 VAL A 78 3.473 4.304 3.357 1.00 0.00 H new ATOM 0 HG22 VAL A 78 3.465 2.869 4.409 1.00 0.00 H new ATOM 0 HG23 VAL A 78 4.906 3.910 4.334 1.00 0.00 H new ATOM 1260 N LYS A 79 6.976 0.887 1.324 1.00 0.00 N ATOM 1261 CA LYS A 79 7.421 0.088 0.181 1.00 0.00 C ATOM 1262 C LYS A 79 7.649 -1.371 0.579 1.00 0.00 C ATOM 1263 O LYS A 79 7.127 -2.289 -0.056 1.00 0.00 O ATOM 1264 CB LYS A 79 8.717 0.654 -0.403 1.00 0.00 C ATOM 1265 CG LYS A 79 9.172 -0.065 -1.667 1.00 0.00 C ATOM 1266 CD LYS A 79 10.689 -0.106 -1.785 1.00 0.00 C ATOM 1267 CE LYS A 79 11.313 -0.908 -0.651 1.00 0.00 C ATOM 1268 NZ LYS A 79 12.764 -1.155 -0.863 1.00 0.00 N ATOM 0 H LYS A 79 7.565 1.693 1.531 1.00 0.00 H new ATOM 0 HA LYS A 79 6.632 0.132 -0.570 1.00 0.00 H new ATOM 0 HB2 LYS A 79 8.576 1.712 -0.626 1.00 0.00 H new ATOM 0 HB3 LYS A 79 9.505 0.589 0.348 1.00 0.00 H new ATOM 0 HG2 LYS A 79 8.781 -1.082 -1.666 1.00 0.00 H new ATOM 0 HG3 LYS A 79 8.754 0.436 -2.540 1.00 0.00 H new ATOM 0 HD2 LYS A 79 10.969 -0.547 -2.742 1.00 0.00 H new ATOM 0 HD3 LYS A 79 11.084 0.910 -1.774 1.00 0.00 H new ATOM 0 HE2 LYS A 79 11.172 -0.374 0.289 1.00 0.00 H new ATOM 0 HE3 LYS A 79 10.795 -1.862 -0.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 13.143 -1.704 -0.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 12.900 -1.688 -1.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 13.265 -0.246 -0.927 1.00 0.00 H new ATOM 1282 N ASP A 80 8.425 -1.572 1.636 1.00 0.00 N ATOM 1283 CA ASP A 80 8.791 -2.917 2.070 1.00 0.00 C ATOM 1284 C ASP A 80 7.622 -3.579 2.786 1.00 0.00 C ATOM 1285 O ASP A 80 7.309 -4.749 2.549 1.00 0.00 O ATOM 1286 CB ASP A 80 10.013 -2.867 2.991 1.00 0.00 C ATOM 1287 CG ASP A 80 10.565 -4.246 3.295 1.00 0.00 C ATOM 1288 OD1 ASP A 80 11.404 -4.739 2.510 1.00 0.00 O ATOM 1289 OD2 ASP A 80 10.177 -4.836 4.322 1.00 0.00 O ATOM 0 H ASP A 80 8.814 -0.823 2.209 1.00 0.00 H new ATOM 0 HA ASP A 80 9.042 -3.508 1.189 1.00 0.00 H new ATOM 0 HB2 ASP A 80 10.791 -2.262 2.525 1.00 0.00 H new ATOM 0 HB3 ASP A 80 9.741 -2.374 3.924 1.00 0.00 H new ATOM 1294 N ASN A 81 6.962 -2.805 3.644 1.00 0.00 N ATOM 1295 CA ASN A 81 5.805 -3.285 4.392 1.00 0.00 C ATOM 1296 C ASN A 81 4.699 -3.756 3.455 1.00 0.00 C ATOM 1297 O ASN A 81 4.019 -4.740 3.738 1.00 0.00 O ATOM 1298 CB ASN A 81 5.263 -2.189 5.320 1.00 0.00 C ATOM 1299 CG ASN A 81 6.132 -1.953 6.548 1.00 0.00 C ATOM 1300 OD1 ASN A 81 7.345 -2.169 6.528 1.00 0.00 O ATOM 1301 ND2 ASN A 81 5.512 -1.506 7.630 1.00 0.00 N ATOM 0 H ASN A 81 7.212 -1.835 3.839 1.00 0.00 H new ATOM 0 HA ASN A 81 6.134 -4.131 4.995 1.00 0.00 H new ATOM 0 HB2 ASN A 81 5.178 -1.258 4.760 1.00 0.00 H new ATOM 0 HB3 ASN A 81 4.258 -2.460 5.642 1.00 0.00 H new ATOM 0 HD21 ASN A 81 6.041 -1.329 8.484 1.00 0.00 H new ATOM 0 HD22 ASN A 81 4.506 -1.339 7.609 1.00 0.00 H new ATOM 1308 N PHE A 82 4.528 -3.055 2.339 1.00 0.00 N ATOM 1309 CA PHE A 82 3.503 -3.404 1.359 1.00 0.00 C ATOM 1310 C PHE A 82 3.767 -4.786 0.767 1.00 0.00 C ATOM 1311 O PHE A 82 2.865 -5.620 0.690 1.00 0.00 O ATOM 1312 CB PHE A 82 3.455 -2.357 0.240 1.00 0.00 C ATOM 1313 CG PHE A 82 2.372 -2.602 -0.774 1.00 0.00 C ATOM 1314 CD1 PHE A 82 1.038 -2.565 -0.406 1.00 0.00 C ATOM 1315 CD2 PHE A 82 2.691 -2.872 -2.095 1.00 0.00 C ATOM 1316 CE1 PHE A 82 0.041 -2.791 -1.335 1.00 0.00 C ATOM 1317 CE2 PHE A 82 1.698 -3.098 -3.030 1.00 0.00 C ATOM 1318 CZ PHE A 82 0.372 -3.057 -2.649 1.00 0.00 C ATOM 0 H PHE A 82 5.087 -2.239 2.089 1.00 0.00 H new ATOM 0 HA PHE A 82 2.540 -3.423 1.869 1.00 0.00 H new ATOM 0 HB2 PHE A 82 3.309 -1.372 0.683 1.00 0.00 H new ATOM 0 HB3 PHE A 82 4.419 -2.338 -0.269 1.00 0.00 H new ATOM 0 HD1 PHE A 82 0.773 -2.357 0.620 1.00 0.00 H new ATOM 0 HD2 PHE A 82 3.727 -2.906 -2.398 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -0.996 -2.760 -1.034 1.00 0.00 H new ATOM 0 HE2 PHE A 82 1.959 -3.306 -4.057 1.00 0.00 H new ATOM 0 HZ PHE A 82 -0.406 -3.233 -3.378 1.00 0.00 H new ATOM 1328 N LEU A 83 5.009 -5.021 0.363 1.00 0.00 N ATOM 1329 CA LEU A 83 5.397 -6.293 -0.236 1.00 0.00 C ATOM 1330 C LEU A 83 5.171 -7.444 0.739 1.00 0.00 C ATOM 1331 O LEU A 83 4.640 -8.491 0.363 1.00 0.00 O ATOM 1332 CB LEU A 83 6.862 -6.248 -0.674 1.00 0.00 C ATOM 1333 CG LEU A 83 7.162 -5.314 -1.850 1.00 0.00 C ATOM 1334 CD1 LEU A 83 8.663 -5.192 -2.069 1.00 0.00 C ATOM 1335 CD2 LEU A 83 6.483 -5.820 -3.114 1.00 0.00 C ATOM 0 H LEU A 83 5.768 -4.344 0.440 1.00 0.00 H new ATOM 0 HA LEU A 83 4.773 -6.462 -1.113 1.00 0.00 H new ATOM 0 HB2 LEU A 83 7.470 -5.941 0.177 1.00 0.00 H new ATOM 0 HB3 LEU A 83 7.176 -7.257 -0.943 1.00 0.00 H new ATOM 0 HG LEU A 83 6.768 -4.326 -1.613 1.00 0.00 H new ATOM 0 HD11 LEU A 83 8.855 -4.524 -2.909 1.00 0.00 H new ATOM 0 HD12 LEU A 83 9.130 -4.789 -1.171 1.00 0.00 H new ATOM 0 HD13 LEU A 83 9.080 -6.176 -2.285 1.00 0.00 H new ATOM 0 HD21 LEU A 83 6.705 -5.146 -3.941 1.00 0.00 H new ATOM 0 HD22 LEU A 83 6.851 -6.818 -3.350 1.00 0.00 H new ATOM 0 HD23 LEU A 83 5.405 -5.859 -2.957 1.00 0.00 H new ATOM 1347 N GLU A 84 5.570 -7.242 1.992 1.00 0.00 N ATOM 1348 CA GLU A 84 5.341 -8.232 3.039 1.00 0.00 C ATOM 1349 C GLU A 84 3.851 -8.431 3.280 1.00 0.00 C ATOM 1350 O GLU A 84 3.380 -9.564 3.373 1.00 0.00 O ATOM 1351 CB GLU A 84 6.025 -7.809 4.341 1.00 0.00 C ATOM 1352 CG GLU A 84 7.437 -8.344 4.493 1.00 0.00 C ATOM 1353 CD GLU A 84 7.470 -9.850 4.659 1.00 0.00 C ATOM 1354 OE1 GLU A 84 7.155 -10.336 5.766 1.00 0.00 O ATOM 1355 OE2 GLU A 84 7.814 -10.557 3.690 1.00 0.00 O ATOM 0 H GLU A 84 6.054 -6.401 2.307 1.00 0.00 H new ATOM 0 HA GLU A 84 5.770 -9.177 2.705 1.00 0.00 H new ATOM 0 HB2 GLU A 84 6.052 -6.720 4.389 1.00 0.00 H new ATOM 0 HB3 GLU A 84 5.424 -8.151 5.184 1.00 0.00 H new ATOM 0 HG2 GLU A 84 8.024 -8.065 3.618 1.00 0.00 H new ATOM 0 HG3 GLU A 84 7.909 -7.876 5.357 1.00 0.00 H new ATOM 1362 N LEU A 85 3.120 -7.324 3.365 1.00 0.00 N ATOM 1363 CA LEU A 85 1.683 -7.349 3.632 1.00 0.00 C ATOM 1364 C LEU A 85 0.971 -8.272 2.642 1.00 0.00 C ATOM 1365 O LEU A 85 0.240 -9.174 3.046 1.00 0.00 O ATOM 1366 CB LEU A 85 1.113 -5.921 3.554 1.00 0.00 C ATOM 1367 CG LEU A 85 -0.279 -5.701 4.167 1.00 0.00 C ATOM 1368 CD1 LEU A 85 -0.519 -4.218 4.396 1.00 0.00 C ATOM 1369 CD2 LEU A 85 -1.378 -6.265 3.273 1.00 0.00 C ATOM 0 H LEU A 85 3.504 -6.386 3.251 1.00 0.00 H new ATOM 0 HA LEU A 85 1.515 -7.738 4.636 1.00 0.00 H new ATOM 0 HB2 LEU A 85 1.813 -5.247 4.048 1.00 0.00 H new ATOM 0 HB3 LEU A 85 1.074 -5.627 2.505 1.00 0.00 H new ATOM 0 HG LEU A 85 -0.310 -6.229 5.120 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -1.508 -4.072 4.831 1.00 0.00 H new ATOM 0 HD12 LEU A 85 0.238 -3.828 5.077 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -0.459 -3.689 3.445 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -2.349 -6.092 3.737 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -1.347 -5.771 2.302 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -1.225 -7.336 3.140 1.00 0.00 H new ATOM 1381 N VAL A 86 1.204 -8.052 1.353 1.00 0.00 N ATOM 1382 CA VAL A 86 0.565 -8.851 0.310 1.00 0.00 C ATOM 1383 C VAL A 86 0.975 -10.317 0.421 1.00 0.00 C ATOM 1384 O VAL A 86 0.131 -11.215 0.387 1.00 0.00 O ATOM 1385 CB VAL A 86 0.913 -8.327 -1.103 1.00 0.00 C ATOM 1386 CG1 VAL A 86 0.232 -9.167 -2.175 1.00 0.00 C ATOM 1387 CG2 VAL A 86 0.517 -6.865 -1.244 1.00 0.00 C ATOM 0 H VAL A 86 1.831 -7.327 1.004 1.00 0.00 H new ATOM 0 HA VAL A 86 -0.512 -8.764 0.457 1.00 0.00 H new ATOM 0 HB VAL A 86 1.992 -8.409 -1.238 1.00 0.00 H new ATOM 0 HG11 VAL A 86 0.491 -8.780 -3.160 1.00 0.00 H new ATOM 0 HG12 VAL A 86 0.565 -10.202 -2.093 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -0.849 -9.122 -2.041 1.00 0.00 H new ATOM 0 HG21 VAL A 86 0.770 -6.514 -2.245 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -0.556 -6.762 -1.084 1.00 0.00 H new ATOM 0 HG23 VAL A 86 1.053 -6.270 -0.505 1.00 0.00 H new ATOM 1397 N LEU A 87 2.271 -10.547 0.584 1.00 0.00 N ATOM 1398 CA LEU A 87 2.814 -11.898 0.648 1.00 0.00 C ATOM 1399 C LEU A 87 2.203 -12.689 1.805 1.00 0.00 C ATOM 1400 O LEU A 87 1.649 -13.773 1.609 1.00 0.00 O ATOM 1401 CB LEU A 87 4.341 -11.853 0.794 1.00 0.00 C ATOM 1402 CG LEU A 87 5.033 -13.218 0.856 1.00 0.00 C ATOM 1403 CD1 LEU A 87 4.846 -13.977 -0.449 1.00 0.00 C ATOM 1404 CD2 LEU A 87 6.511 -13.046 1.166 1.00 0.00 C ATOM 0 H LEU A 87 2.970 -9.810 0.675 1.00 0.00 H new ATOM 0 HA LEU A 87 2.557 -12.404 -0.283 1.00 0.00 H new ATOM 0 HB2 LEU A 87 4.753 -11.293 -0.045 1.00 0.00 H new ATOM 0 HB3 LEU A 87 4.587 -11.298 1.699 1.00 0.00 H new ATOM 0 HG LEU A 87 4.575 -13.800 1.656 1.00 0.00 H new ATOM 0 HD11 LEU A 87 5.346 -14.943 -0.383 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.782 -14.130 -0.632 1.00 0.00 H new ATOM 0 HD13 LEU A 87 5.276 -13.402 -1.269 1.00 0.00 H new ATOM 0 HD21 LEU A 87 6.990 -14.024 1.207 1.00 0.00 H new ATOM 0 HD22 LEU A 87 6.979 -12.445 0.386 1.00 0.00 H new ATOM 0 HD23 LEU A 87 6.625 -12.545 2.127 1.00 0.00 H new ATOM 1416 N GLN A 88 2.279 -12.135 3.007 1.00 0.00 N ATOM 1417 CA GLN A 88 1.845 -12.857 4.196 1.00 0.00 C ATOM 1418 C GLN A 88 0.339 -12.750 4.407 1.00 0.00 C ATOM 1419 O GLN A 88 -0.196 -13.297 5.372 1.00 0.00 O ATOM 1420 CB GLN A 88 2.594 -12.358 5.429 1.00 0.00 C ATOM 1421 CG GLN A 88 2.307 -10.913 5.788 1.00 0.00 C ATOM 1422 CD GLN A 88 3.258 -10.393 6.839 1.00 0.00 C ATOM 1423 OE1 GLN A 88 3.746 -11.149 7.674 1.00 0.00 O ATOM 1424 NE2 GLN A 88 3.528 -9.099 6.803 1.00 0.00 N ATOM 0 H GLN A 88 2.634 -11.195 3.185 1.00 0.00 H new ATOM 0 HA GLN A 88 2.080 -13.910 4.042 1.00 0.00 H new ATOM 0 HB2 GLN A 88 2.335 -12.990 6.278 1.00 0.00 H new ATOM 0 HB3 GLN A 88 3.665 -12.473 5.261 1.00 0.00 H new ATOM 0 HG2 GLN A 88 2.382 -10.295 4.893 1.00 0.00 H new ATOM 0 HG3 GLN A 88 1.283 -10.826 6.151 1.00 0.00 H new ATOM 0 HE21 GLN A 88 3.099 -8.508 6.091 1.00 0.00 H new ATOM 0 HE22 GLN A 88 4.165 -8.692 7.488 1.00 0.00 H new ATOM 1433 N SER A 89 -0.339 -12.060 3.502 1.00 0.00 N ATOM 1434 CA SER A 89 -1.788 -11.977 3.541 1.00 0.00 C ATOM 1435 C SER A 89 -2.387 -13.334 3.186 1.00 0.00 C ATOM 1436 O SER A 89 -3.483 -13.685 3.631 1.00 0.00 O ATOM 1437 CB SER A 89 -2.288 -10.902 2.571 1.00 0.00 C ATOM 1438 OG SER A 89 -3.677 -10.676 2.724 1.00 0.00 O ATOM 0 H SER A 89 0.093 -11.550 2.732 1.00 0.00 H new ATOM 0 HA SER A 89 -2.102 -11.701 4.547 1.00 0.00 H new ATOM 0 HB2 SER A 89 -1.745 -9.973 2.744 1.00 0.00 H new ATOM 0 HB3 SER A 89 -2.078 -11.208 1.546 1.00 0.00 H new ATOM 0 HG SER A 89 -3.967 -9.984 2.093 1.00 0.00 H new ATOM 1444 N TYR A 90 -1.643 -14.106 2.403 1.00 0.00 N ATOM 1445 CA TYR A 90 -2.091 -15.423 1.981 1.00 0.00 C ATOM 1446 C TYR A 90 -1.365 -16.528 2.748 1.00 0.00 C ATOM 1447 O TYR A 90 -1.998 -17.419 3.311 1.00 0.00 O ATOM 1448 CB TYR A 90 -1.878 -15.597 0.474 1.00 0.00 C ATOM 1449 CG TYR A 90 -2.605 -14.563 -0.359 1.00 0.00 C ATOM 1450 CD1 TYR A 90 -3.981 -14.631 -0.537 1.00 0.00 C ATOM 1451 CD2 TYR A 90 -1.916 -13.517 -0.958 1.00 0.00 C ATOM 1452 CE1 TYR A 90 -4.650 -13.685 -1.290 1.00 0.00 C ATOM 1453 CE2 TYR A 90 -2.577 -12.566 -1.711 1.00 0.00 C ATOM 1454 CZ TYR A 90 -3.945 -12.656 -1.876 1.00 0.00 C ATOM 1455 OH TYR A 90 -4.610 -11.714 -2.626 1.00 0.00 O ATOM 0 H TYR A 90 -0.725 -13.840 2.048 1.00 0.00 H new ATOM 0 HA TYR A 90 -3.155 -15.503 2.202 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -0.811 -15.543 0.257 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -2.214 -16.591 0.179 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -4.537 -15.436 -0.080 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -0.846 -13.446 -0.833 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -5.720 -13.752 -1.419 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -2.027 -11.757 -2.168 1.00 0.00 H new ATOM 0 HH TYR A 90 -3.969 -11.056 -2.968 1.00 0.00 H new ATOM 1465 N VAL A 91 -0.037 -16.462 2.783 1.00 0.00 N ATOM 1466 CA VAL A 91 0.762 -17.511 3.419 1.00 0.00 C ATOM 1467 C VAL A 91 0.758 -17.393 4.944 1.00 0.00 C ATOM 1468 O VAL A 91 0.794 -18.405 5.644 1.00 0.00 O ATOM 1469 CB VAL A 91 2.218 -17.516 2.902 1.00 0.00 C ATOM 1470 CG1 VAL A 91 2.259 -17.833 1.415 1.00 0.00 C ATOM 1471 CG2 VAL A 91 2.904 -16.188 3.184 1.00 0.00 C ATOM 0 H VAL A 91 0.508 -15.699 2.382 1.00 0.00 H new ATOM 0 HA VAL A 91 0.291 -18.456 3.147 1.00 0.00 H new ATOM 0 HB VAL A 91 2.760 -18.296 3.436 1.00 0.00 H new ATOM 0 HG11 VAL A 91 3.293 -17.832 1.071 1.00 0.00 H new ATOM 0 HG12 VAL A 91 1.820 -18.815 1.240 1.00 0.00 H new ATOM 0 HG13 VAL A 91 1.693 -17.080 0.867 1.00 0.00 H new ATOM 0 HG21 VAL A 91 3.927 -16.220 2.809 1.00 0.00 H new ATOM 0 HG22 VAL A 91 2.360 -15.385 2.686 1.00 0.00 H new ATOM 0 HG23 VAL A 91 2.917 -16.006 4.259 1.00 0.00 H new ATOM 1481 N HIS A 92 0.706 -16.156 5.443 1.00 0.00 N ATOM 1482 CA HIS A 92 0.697 -15.877 6.885 1.00 0.00 C ATOM 1483 C HIS A 92 1.917 -16.467 7.599 1.00 0.00 C ATOM 1484 O HIS A 92 1.886 -17.605 8.064 1.00 0.00 O ATOM 1485 CB HIS A 92 -0.596 -16.382 7.536 1.00 0.00 C ATOM 1486 CG HIS A 92 -1.809 -15.606 7.121 1.00 0.00 C ATOM 1487 ND1 HIS A 92 -2.175 -14.419 7.714 1.00 0.00 N ATOM 1488 CD2 HIS A 92 -2.717 -15.827 6.142 1.00 0.00 C ATOM 1489 CE1 HIS A 92 -3.249 -13.947 7.115 1.00 0.00 C ATOM 1490 NE2 HIS A 92 -3.600 -14.779 6.155 1.00 0.00 N ATOM 0 H HIS A 92 0.669 -15.319 4.861 1.00 0.00 H new ATOM 0 HA HIS A 92 0.746 -14.794 6.994 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -0.739 -17.432 7.279 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -0.493 -16.331 8.620 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -2.741 -16.674 5.473 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -3.758 -13.029 7.369 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -4.395 -14.662 5.527 1.00 0.00 H new ATOM 1499 N HIS A 93 2.991 -15.684 7.682 1.00 0.00 N ATOM 1500 CA HIS A 93 4.203 -16.122 8.378 1.00 0.00 C ATOM 1501 C HIS A 93 4.460 -15.290 9.632 1.00 0.00 C ATOM 1502 O HIS A 93 5.604 -15.098 10.041 1.00 0.00 O ATOM 1503 CB HIS A 93 5.435 -16.096 7.451 1.00 0.00 C ATOM 1504 CG HIS A 93 5.687 -14.798 6.726 1.00 0.00 C ATOM 1505 ND1 HIS A 93 5.814 -14.729 5.354 1.00 0.00 N ATOM 1506 CD2 HIS A 93 5.872 -13.529 7.177 1.00 0.00 C ATOM 1507 CE1 HIS A 93 6.065 -13.484 4.993 1.00 0.00 C ATOM 1508 NE2 HIS A 93 6.104 -12.735 6.078 1.00 0.00 N ATOM 0 H HIS A 93 3.049 -14.749 7.279 1.00 0.00 H new ATOM 0 HA HIS A 93 4.035 -17.155 8.684 1.00 0.00 H new ATOM 0 HB2 HIS A 93 6.317 -16.335 8.045 1.00 0.00 H new ATOM 0 HB3 HIS A 93 5.325 -16.888 6.710 1.00 0.00 H new ATOM 0 HD2 HIS A 93 5.842 -13.205 8.207 1.00 0.00 H new ATOM 0 HE1 HIS A 93 6.213 -13.138 3.981 1.00 0.00 H new ATOM 0 HE2 HIS A 93 6.278 -11.730 6.099 1.00 0.00 H new ATOM 1517 N ILE A 94 3.384 -14.814 10.241 1.00 0.00 N ATOM 1518 CA ILE A 94 3.466 -14.062 11.488 1.00 0.00 C ATOM 1519 C ILE A 94 2.385 -14.537 12.445 1.00 0.00 C ATOM 1520 O ILE A 94 1.626 -15.447 12.116 1.00 0.00 O ATOM 1521 CB ILE A 94 3.315 -12.543 11.273 1.00 0.00 C ATOM 1522 CG1 ILE A 94 2.083 -12.246 10.415 1.00 0.00 C ATOM 1523 CG2 ILE A 94 4.573 -11.960 10.647 1.00 0.00 C ATOM 1524 CD1 ILE A 94 1.822 -10.770 10.227 1.00 0.00 C ATOM 0 H ILE A 94 2.435 -14.936 9.889 1.00 0.00 H new ATOM 0 HA ILE A 94 4.457 -14.242 11.906 1.00 0.00 H new ATOM 0 HB ILE A 94 3.175 -12.067 12.244 1.00 0.00 H new ATOM 0 HG12 ILE A 94 2.210 -12.712 9.438 1.00 0.00 H new ATOM 0 HG13 ILE A 94 1.209 -12.706 10.877 1.00 0.00 H new ATOM 0 HG21 ILE A 94 4.445 -10.887 10.504 1.00 0.00 H new ATOM 0 HG22 ILE A 94 5.423 -12.139 11.305 1.00 0.00 H new ATOM 0 HG23 ILE A 94 4.754 -12.435 9.683 1.00 0.00 H new ATOM 0 HD11 ILE A 94 0.934 -10.633 9.609 1.00 0.00 H new ATOM 0 HD12 ILE A 94 1.664 -10.302 11.199 1.00 0.00 H new ATOM 0 HD13 ILE A 94 2.679 -10.308 9.737 1.00 0.00 H new ATOM 1536 N HIS A 95 2.298 -13.919 13.616 1.00 0.00 N ATOM 1537 CA HIS A 95 1.325 -14.348 14.609 1.00 0.00 C ATOM 1538 C HIS A 95 0.029 -13.542 14.493 1.00 0.00 C ATOM 1539 O HIS A 95 -0.959 -14.038 13.959 1.00 0.00 O ATOM 1540 CB HIS A 95 1.912 -14.247 16.020 1.00 0.00 C ATOM 1541 CG HIS A 95 1.267 -15.176 17.007 1.00 0.00 C ATOM 1542 ND1 HIS A 95 1.611 -16.506 17.115 1.00 0.00 N ATOM 1543 CD2 HIS A 95 0.300 -14.964 17.929 1.00 0.00 C ATOM 1544 CE1 HIS A 95 0.883 -17.071 18.059 1.00 0.00 C ATOM 1545 NE2 HIS A 95 0.080 -16.158 18.573 1.00 0.00 N ATOM 0 H HIS A 95 2.881 -13.131 13.898 1.00 0.00 H new ATOM 0 HA HIS A 95 1.083 -15.393 14.417 1.00 0.00 H new ATOM 0 HB2 HIS A 95 2.980 -14.461 15.976 1.00 0.00 H new ATOM 0 HB3 HIS A 95 1.807 -13.222 16.376 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -0.205 -14.030 18.123 1.00 0.00 H new ATOM 0 HE1 HIS A 95 0.935 -18.107 18.361 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -0.593 -16.313 19.324 1.00 0.00 H new ATOM 1554 N LYS A 96 0.029 -12.299 14.979 1.00 0.00 N ATOM 1555 CA LYS A 96 -1.186 -11.476 14.950 1.00 0.00 C ATOM 1556 C LYS A 96 -0.866 -9.988 14.812 1.00 0.00 C ATOM 1557 O LYS A 96 -1.167 -9.371 13.791 1.00 0.00 O ATOM 1558 CB LYS A 96 -2.022 -11.672 16.221 1.00 0.00 C ATOM 1559 CG LYS A 96 -2.623 -13.059 16.381 1.00 0.00 C ATOM 1560 CD LYS A 96 -3.628 -13.099 17.521 1.00 0.00 C ATOM 1561 CE LYS A 96 -4.829 -12.205 17.235 1.00 0.00 C ATOM 1562 NZ LYS A 96 -5.813 -12.220 18.349 1.00 0.00 N ATOM 0 H LYS A 96 0.843 -11.844 15.392 1.00 0.00 H new ATOM 0 HA LYS A 96 -1.752 -11.804 14.078 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -1.395 -11.461 17.087 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -2.829 -10.939 16.225 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -3.111 -13.355 15.453 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -1.829 -13.782 16.568 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -3.964 -14.124 17.676 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -3.146 -12.779 18.445 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -4.488 -11.183 17.066 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -5.316 -12.535 16.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -6.613 -11.599 18.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -6.158 -13.190 18.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -5.357 -11.881 19.220 1.00 0.00 H new ATOM 1576 N LYS A 97 -0.244 -9.437 15.849 1.00 0.00 N ATOM 1577 CA LYS A 97 -0.048 -7.993 15.987 1.00 0.00 C ATOM 1578 C LYS A 97 0.573 -7.343 14.757 1.00 0.00 C ATOM 1579 O LYS A 97 0.107 -6.297 14.302 1.00 0.00 O ATOM 1580 CB LYS A 97 0.838 -7.710 17.198 1.00 0.00 C ATOM 1581 CG LYS A 97 0.068 -7.410 18.469 1.00 0.00 C ATOM 1582 CD LYS A 97 -0.607 -6.052 18.387 1.00 0.00 C ATOM 1583 CE LYS A 97 -1.114 -5.599 19.743 1.00 0.00 C ATOM 1584 NZ LYS A 97 -1.541 -4.175 19.723 1.00 0.00 N ATOM 0 H LYS A 97 0.141 -9.979 16.622 1.00 0.00 H new ATOM 0 HA LYS A 97 -1.040 -7.558 16.113 1.00 0.00 H new ATOM 0 HB2 LYS A 97 1.484 -8.570 17.371 1.00 0.00 H new ATOM 0 HB3 LYS A 97 1.487 -6.864 16.971 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -0.682 -8.184 18.636 1.00 0.00 H new ATOM 0 HG3 LYS A 97 0.745 -7.433 19.323 1.00 0.00 H new ATOM 0 HD2 LYS A 97 0.098 -5.317 17.997 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -1.439 -6.100 17.684 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -1.952 -6.226 20.046 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -0.330 -5.733 20.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -1.881 -3.901 20.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -0.734 -3.574 19.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -2.307 -4.052 19.030 1.00 0.00 H new ATOM 1598 N ARG A 98 1.611 -7.966 14.217 1.00 0.00 N ATOM 1599 CA ARG A 98 2.390 -7.353 13.148 1.00 0.00 C ATOM 1600 C ARG A 98 1.559 -7.158 11.880 1.00 0.00 C ATOM 1601 O ARG A 98 1.817 -6.244 11.104 1.00 0.00 O ATOM 1602 CB ARG A 98 3.642 -8.182 12.854 1.00 0.00 C ATOM 1603 CG ARG A 98 4.912 -7.350 12.824 1.00 0.00 C ATOM 1604 CD ARG A 98 6.152 -8.225 12.802 1.00 0.00 C ATOM 1605 NE ARG A 98 7.379 -7.435 12.879 1.00 0.00 N ATOM 1606 CZ ARG A 98 8.214 -7.450 13.918 1.00 0.00 C ATOM 1607 NH1 ARG A 98 7.935 -8.168 15.002 1.00 0.00 N ATOM 1608 NH2 ARG A 98 9.320 -6.725 13.877 1.00 0.00 N ATOM 0 H ARG A 98 1.933 -8.892 14.499 1.00 0.00 H new ATOM 0 HA ARG A 98 2.698 -6.365 13.490 1.00 0.00 H new ATOM 0 HB2 ARG A 98 3.742 -8.960 13.611 1.00 0.00 H new ATOM 0 HB3 ARG A 98 3.521 -8.685 11.894 1.00 0.00 H new ATOM 0 HG2 ARG A 98 4.905 -6.706 11.945 1.00 0.00 H new ATOM 0 HG3 ARG A 98 4.941 -6.698 13.697 1.00 0.00 H new ATOM 0 HD2 ARG A 98 6.118 -8.924 13.638 1.00 0.00 H new ATOM 0 HD3 ARG A 98 6.160 -8.820 11.889 1.00 0.00 H new ATOM 0 HE ARG A 98 7.611 -6.834 12.088 1.00 0.00 H new ATOM 0 HH11 ARG A 98 7.075 -8.715 15.044 1.00 0.00 H new ATOM 0 HH12 ARG A 98 8.581 -8.172 15.791 1.00 0.00 H new ATOM 0 HH21 ARG A 98 9.529 -6.160 13.054 1.00 0.00 H new ATOM 0 HH22 ARG A 98 9.964 -6.731 14.668 1.00 0.00 H new ATOM 1622 N PHE A 99 0.545 -7.994 11.686 1.00 0.00 N ATOM 1623 CA PHE A 99 -0.313 -7.883 10.509 1.00 0.00 C ATOM 1624 C PHE A 99 -1.162 -6.622 10.606 1.00 0.00 C ATOM 1625 O PHE A 99 -1.290 -5.865 9.644 1.00 0.00 O ATOM 1626 CB PHE A 99 -1.216 -9.116 10.378 1.00 0.00 C ATOM 1627 CG PHE A 99 -1.936 -9.206 9.058 1.00 0.00 C ATOM 1628 CD1 PHE A 99 -1.310 -9.758 7.951 1.00 0.00 C ATOM 1629 CD2 PHE A 99 -3.235 -8.738 8.923 1.00 0.00 C ATOM 1630 CE1 PHE A 99 -1.965 -9.844 6.737 1.00 0.00 C ATOM 1631 CE2 PHE A 99 -3.893 -8.821 7.710 1.00 0.00 C ATOM 1632 CZ PHE A 99 -3.257 -9.375 6.617 1.00 0.00 C ATOM 0 H PHE A 99 0.297 -8.751 12.323 1.00 0.00 H new ATOM 0 HA PHE A 99 0.319 -7.824 9.623 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -0.612 -10.013 10.513 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -1.952 -9.103 11.182 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -0.298 -10.125 8.038 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -3.738 -8.304 9.775 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -1.466 -10.278 5.883 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -4.904 -8.453 7.617 1.00 0.00 H new ATOM 0 HZ PHE A 99 -3.770 -9.441 5.669 1.00 0.00 H new ATOM 1642 N LYS A 100 -1.714 -6.393 11.790 1.00 0.00 N ATOM 1643 CA LYS A 100 -2.572 -5.243 12.033 1.00 0.00 C ATOM 1644 C LYS A 100 -1.746 -3.963 12.054 1.00 0.00 C ATOM 1645 O LYS A 100 -2.168 -2.926 11.539 1.00 0.00 O ATOM 1646 CB LYS A 100 -3.305 -5.416 13.364 1.00 0.00 C ATOM 1647 CG LYS A 100 -4.380 -4.370 13.623 1.00 0.00 C ATOM 1648 CD LYS A 100 -5.060 -4.603 14.962 1.00 0.00 C ATOM 1649 CE LYS A 100 -6.109 -3.541 15.265 1.00 0.00 C ATOM 1650 NZ LYS A 100 -7.259 -3.590 14.320 1.00 0.00 N ATOM 0 H LYS A 100 -1.581 -6.995 12.603 1.00 0.00 H new ATOM 0 HA LYS A 100 -3.304 -5.172 11.228 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -3.762 -6.405 13.388 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -2.577 -5.381 14.174 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -3.935 -3.375 13.606 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -5.122 -4.401 12.825 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -5.530 -5.587 14.963 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -4.310 -4.607 15.753 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -6.474 -3.675 16.283 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -5.647 -2.555 15.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -7.990 -2.918 14.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -6.935 -3.335 13.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -7.656 -4.551 14.306 1.00 0.00 H new ATOM 1664 N ASP A 101 -0.569 -4.050 12.657 1.00 0.00 N ATOM 1665 CA ASP A 101 0.334 -2.904 12.757 1.00 0.00 C ATOM 1666 C ASP A 101 0.778 -2.433 11.377 1.00 0.00 C ATOM 1667 O ASP A 101 0.666 -1.249 11.051 1.00 0.00 O ATOM 1668 CB ASP A 101 1.560 -3.252 13.600 1.00 0.00 C ATOM 1669 CG ASP A 101 2.488 -2.065 13.782 1.00 0.00 C ATOM 1670 OD1 ASP A 101 2.176 -1.183 14.607 1.00 0.00 O ATOM 1671 OD2 ASP A 101 3.536 -2.014 13.108 1.00 0.00 O ATOM 0 H ASP A 101 -0.213 -4.904 13.087 1.00 0.00 H new ATOM 0 HA ASP A 101 -0.214 -2.096 13.242 1.00 0.00 H new ATOM 0 HB2 ASP A 101 1.237 -3.611 14.577 1.00 0.00 H new ATOM 0 HB3 ASP A 101 2.105 -4.068 13.125 1.00 0.00 H new ATOM 1676 N ILE A 102 1.270 -3.367 10.568 1.00 0.00 N ATOM 1677 CA ILE A 102 1.713 -3.051 9.213 1.00 0.00 C ATOM 1678 C ILE A 102 0.574 -2.441 8.399 1.00 0.00 C ATOM 1679 O ILE A 102 0.752 -1.405 7.759 1.00 0.00 O ATOM 1680 CB ILE A 102 2.277 -4.297 8.487 1.00 0.00 C ATOM 1681 CG1 ILE A 102 3.599 -4.733 9.133 1.00 0.00 C ATOM 1682 CG2 ILE A 102 2.477 -4.019 7.002 1.00 0.00 C ATOM 1683 CD1 ILE A 102 4.205 -5.968 8.504 1.00 0.00 C ATOM 0 H ILE A 102 1.372 -4.348 10.827 1.00 0.00 H new ATOM 0 HA ILE A 102 2.518 -2.321 9.300 1.00 0.00 H new ATOM 0 HB ILE A 102 1.553 -5.106 8.584 1.00 0.00 H new ATOM 0 HG12 ILE A 102 4.314 -3.913 9.065 1.00 0.00 H new ATOM 0 HG13 ILE A 102 3.430 -4.922 10.193 1.00 0.00 H new ATOM 0 HG21 ILE A 102 2.874 -4.910 6.515 1.00 0.00 H new ATOM 0 HG22 ILE A 102 1.522 -3.754 6.550 1.00 0.00 H new ATOM 0 HG23 ILE A 102 3.179 -3.194 6.878 1.00 0.00 H new ATOM 0 HD11 ILE A 102 5.137 -6.216 9.013 1.00 0.00 H new ATOM 0 HD12 ILE A 102 3.509 -6.802 8.596 1.00 0.00 H new ATOM 0 HD13 ILE A 102 4.407 -5.778 7.450 1.00 0.00 H new ATOM 1695 N THR A 103 -0.599 -3.064 8.455 1.00 0.00 N ATOM 1696 CA THR A 103 -1.761 -2.562 7.736 1.00 0.00 C ATOM 1697 C THR A 103 -2.083 -1.127 8.161 1.00 0.00 C ATOM 1698 O THR A 103 -2.290 -0.251 7.321 1.00 0.00 O ATOM 1699 CB THR A 103 -2.991 -3.465 7.974 1.00 0.00 C ATOM 1700 OG1 THR A 103 -2.680 -4.818 7.609 1.00 0.00 O ATOM 1701 CG2 THR A 103 -4.187 -2.986 7.165 1.00 0.00 C ATOM 0 H THR A 103 -0.768 -3.916 8.990 1.00 0.00 H new ATOM 0 HA THR A 103 -1.521 -2.571 6.673 1.00 0.00 H new ATOM 0 HB THR A 103 -3.247 -3.417 9.033 1.00 0.00 H new ATOM 0 HG1 THR A 103 -2.401 -5.316 8.406 1.00 0.00 H new ATOM 0 HG21 THR A 103 -5.038 -3.640 7.352 1.00 0.00 H new ATOM 0 HG22 THR A 103 -4.441 -1.967 7.459 1.00 0.00 H new ATOM 0 HG23 THR A 103 -3.940 -3.007 6.104 1.00 0.00 H new ATOM 1709 N GLU A 104 -2.081 -0.887 9.468 1.00 0.00 N ATOM 1710 CA GLU A 104 -2.381 0.424 10.008 1.00 0.00 C ATOM 1711 C GLU A 104 -1.356 1.450 9.551 1.00 0.00 C ATOM 1712 O GLU A 104 -1.715 2.503 9.037 1.00 0.00 O ATOM 1713 CB GLU A 104 -2.392 0.367 11.530 1.00 0.00 C ATOM 1714 CG GLU A 104 -2.889 1.643 12.164 1.00 0.00 C ATOM 1715 CD GLU A 104 -2.678 1.677 13.660 1.00 0.00 C ATOM 1716 OE1 GLU A 104 -3.383 0.943 14.382 1.00 0.00 O ATOM 1717 OE2 GLU A 104 -1.810 2.444 14.125 1.00 0.00 O ATOM 0 H GLU A 104 -1.872 -1.593 10.174 1.00 0.00 H new ATOM 0 HA GLU A 104 -3.363 0.724 9.642 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -3.022 -0.462 11.853 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -1.384 0.159 11.888 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -2.377 2.492 11.710 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -3.951 1.760 11.949 1.00 0.00 H new ATOM 1724 N SER A 105 -0.083 1.131 9.740 1.00 0.00 N ATOM 1725 CA SER A 105 1.000 2.052 9.407 1.00 0.00 C ATOM 1726 C SER A 105 0.960 2.427 7.925 1.00 0.00 C ATOM 1727 O SER A 105 1.192 3.583 7.561 1.00 0.00 O ATOM 1728 CB SER A 105 2.356 1.428 9.760 1.00 0.00 C ATOM 1729 OG SER A 105 3.380 2.411 9.804 1.00 0.00 O ATOM 0 H SER A 105 0.228 0.238 10.124 1.00 0.00 H new ATOM 0 HA SER A 105 0.867 2.961 9.993 1.00 0.00 H new ATOM 0 HB2 SER A 105 2.288 0.927 10.726 1.00 0.00 H new ATOM 0 HB3 SER A 105 2.611 0.666 9.023 1.00 0.00 H new ATOM 0 HG SER A 105 4.233 1.985 10.033 1.00 0.00 H new ATOM 1735 N VAL A 106 0.656 1.452 7.070 1.00 0.00 N ATOM 1736 CA VAL A 106 0.551 1.709 5.637 1.00 0.00 C ATOM 1737 C VAL A 106 -0.663 2.583 5.329 1.00 0.00 C ATOM 1738 O VAL A 106 -0.531 3.633 4.705 1.00 0.00 O ATOM 1739 CB VAL A 106 0.473 0.399 4.818 1.00 0.00 C ATOM 1740 CG1 VAL A 106 0.254 0.693 3.342 1.00 0.00 C ATOM 1741 CG2 VAL A 106 1.744 -0.411 4.994 1.00 0.00 C ATOM 0 H VAL A 106 0.480 0.485 7.343 1.00 0.00 H new ATOM 0 HA VAL A 106 1.458 2.237 5.343 1.00 0.00 H new ATOM 0 HB VAL A 106 -0.375 -0.178 5.188 1.00 0.00 H new ATOM 0 HG11 VAL A 106 0.203 -0.244 2.788 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -0.679 1.241 3.215 1.00 0.00 H new ATOM 0 HG13 VAL A 106 1.082 1.293 2.964 1.00 0.00 H new ATOM 0 HG21 VAL A 106 1.674 -1.330 4.412 1.00 0.00 H new ATOM 0 HG22 VAL A 106 2.598 0.172 4.650 1.00 0.00 H new ATOM 0 HG23 VAL A 106 1.875 -0.658 6.047 1.00 0.00 H new ATOM 1751 N LEU A 107 -1.838 2.160 5.787 1.00 0.00 N ATOM 1752 CA LEU A 107 -3.075 2.899 5.537 1.00 0.00 C ATOM 1753 C LEU A 107 -3.015 4.307 6.122 1.00 0.00 C ATOM 1754 O LEU A 107 -3.510 5.254 5.518 1.00 0.00 O ATOM 1755 CB LEU A 107 -4.282 2.149 6.110 1.00 0.00 C ATOM 1756 CG LEU A 107 -4.958 1.149 5.163 1.00 0.00 C ATOM 1757 CD1 LEU A 107 -5.536 1.871 3.957 1.00 0.00 C ATOM 1758 CD2 LEU A 107 -3.985 0.063 4.718 1.00 0.00 C ATOM 0 H LEU A 107 -1.961 1.308 6.334 1.00 0.00 H new ATOM 0 HA LEU A 107 -3.188 2.983 4.456 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -3.962 1.614 7.005 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -5.025 2.882 6.425 1.00 0.00 H new ATOM 0 HG LEU A 107 -5.770 0.667 5.707 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -6.012 1.149 3.294 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -6.275 2.601 4.289 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -4.736 2.382 3.421 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -4.494 -0.630 4.048 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -3.144 0.520 4.197 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -3.620 -0.479 5.591 1.00 0.00 H new ATOM 1770 N TYR A 108 -2.407 4.439 7.292 1.00 0.00 N ATOM 1771 CA TYR A 108 -2.255 5.740 7.930 1.00 0.00 C ATOM 1772 C TYR A 108 -1.440 6.666 7.035 1.00 0.00 C ATOM 1773 O TYR A 108 -1.790 7.831 6.845 1.00 0.00 O ATOM 1774 CB TYR A 108 -1.582 5.589 9.299 1.00 0.00 C ATOM 1775 CG TYR A 108 -1.465 6.881 10.077 1.00 0.00 C ATOM 1776 CD1 TYR A 108 -2.561 7.416 10.744 1.00 0.00 C ATOM 1777 CD2 TYR A 108 -0.260 7.562 10.150 1.00 0.00 C ATOM 1778 CE1 TYR A 108 -2.456 8.594 11.460 1.00 0.00 C ATOM 1779 CE2 TYR A 108 -0.146 8.738 10.864 1.00 0.00 C ATOM 1780 CZ TYR A 108 -1.245 9.249 11.517 1.00 0.00 C ATOM 1781 OH TYR A 108 -1.134 10.422 12.229 1.00 0.00 O ATOM 0 H TYR A 108 -2.011 3.661 7.820 1.00 0.00 H new ATOM 0 HA TYR A 108 -3.243 6.176 8.080 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -2.147 4.870 9.892 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -0.585 5.171 9.157 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -3.510 6.903 10.702 1.00 0.00 H new ATOM 0 HD2 TYR A 108 0.605 7.166 9.639 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -3.317 8.998 11.971 1.00 0.00 H new ATOM 0 HE2 TYR A 108 0.801 9.255 10.910 1.00 0.00 H new ATOM 0 HH TYR A 108 -0.214 10.755 12.169 1.00 0.00 H new ATOM 1791 N THR A 109 -0.365 6.129 6.469 1.00 0.00 N ATOM 1792 CA THR A 109 0.463 6.881 5.542 1.00 0.00 C ATOM 1793 C THR A 109 -0.304 7.170 4.250 1.00 0.00 C ATOM 1794 O THR A 109 -0.214 8.262 3.695 1.00 0.00 O ATOM 1795 CB THR A 109 1.764 6.118 5.214 1.00 0.00 C ATOM 1796 OG1 THR A 109 2.445 5.776 6.430 1.00 0.00 O ATOM 1797 CG2 THR A 109 2.683 6.957 4.338 1.00 0.00 C ATOM 0 H THR A 109 -0.049 5.174 6.638 1.00 0.00 H new ATOM 0 HA THR A 109 0.725 7.824 6.022 1.00 0.00 H new ATOM 0 HB THR A 109 1.499 5.211 4.670 1.00 0.00 H new ATOM 0 HG1 THR A 109 1.972 5.042 6.875 1.00 0.00 H new ATOM 0 HG21 THR A 109 3.592 6.396 4.122 1.00 0.00 H new ATOM 0 HG22 THR A 109 2.175 7.198 3.404 1.00 0.00 H new ATOM 0 HG23 THR A 109 2.941 7.879 4.859 1.00 0.00 H new ATOM 1805 N LEU A 110 -1.076 6.192 3.789 1.00 0.00 N ATOM 1806 CA LEU A 110 -1.889 6.357 2.587 1.00 0.00 C ATOM 1807 C LEU A 110 -2.918 7.470 2.770 1.00 0.00 C ATOM 1808 O LEU A 110 -3.106 8.305 1.885 1.00 0.00 O ATOM 1809 CB LEU A 110 -2.593 5.046 2.235 1.00 0.00 C ATOM 1810 CG LEU A 110 -1.662 3.887 1.880 1.00 0.00 C ATOM 1811 CD1 LEU A 110 -2.456 2.614 1.647 1.00 0.00 C ATOM 1812 CD2 LEU A 110 -0.833 4.229 0.653 1.00 0.00 C ATOM 0 H LEU A 110 -1.157 5.275 4.229 1.00 0.00 H new ATOM 0 HA LEU A 110 -1.225 6.634 1.768 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -3.215 4.747 3.079 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -3.262 5.225 1.394 1.00 0.00 H new ATOM 0 HG LEU A 110 -0.986 3.720 2.719 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -1.775 1.801 1.396 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -3.008 2.358 2.552 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -3.157 2.767 0.826 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -0.175 3.393 0.414 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -1.495 4.423 -0.191 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -0.233 5.116 0.855 1.00 0.00 H new ATOM 1824 N HIS A 111 -3.571 7.482 3.929 1.00 0.00 N ATOM 1825 CA HIS A 111 -4.535 8.533 4.259 1.00 0.00 C ATOM 1826 C HIS A 111 -3.828 9.885 4.299 1.00 0.00 C ATOM 1827 O HIS A 111 -4.365 10.906 3.856 1.00 0.00 O ATOM 1828 CB HIS A 111 -5.198 8.263 5.618 1.00 0.00 C ATOM 1829 CG HIS A 111 -6.004 6.996 5.688 1.00 0.00 C ATOM 1830 ND1 HIS A 111 -6.495 6.490 6.871 1.00 0.00 N ATOM 1831 CD2 HIS A 111 -6.414 6.140 4.720 1.00 0.00 C ATOM 1832 CE1 HIS A 111 -7.171 5.384 6.629 1.00 0.00 C ATOM 1833 NE2 HIS A 111 -7.143 5.147 5.331 1.00 0.00 N ATOM 0 H HIS A 111 -3.452 6.777 4.656 1.00 0.00 H new ATOM 0 HA HIS A 111 -5.308 8.542 3.491 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -4.423 8.226 6.383 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -5.847 9.104 5.863 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -6.206 6.223 3.663 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -7.666 4.773 7.370 1.00 0.00 H new ATOM 0 HE2 HIS A 111 -7.588 4.359 4.860 1.00 0.00 H new ATOM 1842 N ALA A 112 -2.609 9.865 4.825 1.00 0.00 N ATOM 1843 CA ALA A 112 -1.784 11.055 4.934 1.00 0.00 C ATOM 1844 C ALA A 112 -1.448 11.616 3.558 1.00 0.00 C ATOM 1845 O ALA A 112 -1.558 12.818 3.323 1.00 0.00 O ATOM 1846 CB ALA A 112 -0.511 10.726 5.700 1.00 0.00 C ATOM 0 H ALA A 112 -2.167 9.020 5.188 1.00 0.00 H new ATOM 0 HA ALA A 112 -2.343 11.818 5.477 1.00 0.00 H new ATOM 0 HB1 ALA A 112 0.107 11.621 5.781 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -0.768 10.372 6.698 1.00 0.00 H new ATOM 0 HB3 ALA A 112 0.042 9.950 5.171 1.00 0.00 H new ATOM 1852 N VAL A 113 -1.068 10.736 2.642 1.00 0.00 N ATOM 1853 CA VAL A 113 -0.668 11.149 1.306 1.00 0.00 C ATOM 1854 C VAL A 113 -1.886 11.588 0.505 1.00 0.00 C ATOM 1855 O VAL A 113 -1.800 12.487 -0.333 1.00 0.00 O ATOM 1856 CB VAL A 113 0.073 10.017 0.561 1.00 0.00 C ATOM 1857 CG1 VAL A 113 0.463 10.437 -0.850 1.00 0.00 C ATOM 1858 CG2 VAL A 113 1.303 9.588 1.337 1.00 0.00 C ATOM 0 H VAL A 113 -1.029 9.729 2.801 1.00 0.00 H new ATOM 0 HA VAL A 113 0.019 11.989 1.410 1.00 0.00 H new ATOM 0 HB VAL A 113 -0.611 9.172 0.482 1.00 0.00 H new ATOM 0 HG11 VAL A 113 0.982 9.616 -1.344 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -0.434 10.691 -1.415 1.00 0.00 H new ATOM 0 HG13 VAL A 113 1.120 11.305 -0.803 1.00 0.00 H new ATOM 0 HG21 VAL A 113 1.813 8.790 0.798 1.00 0.00 H new ATOM 0 HG22 VAL A 113 1.976 10.438 1.450 1.00 0.00 H new ATOM 0 HG23 VAL A 113 1.005 9.228 2.322 1.00 0.00 H new ATOM 1868 N LYS A 114 -3.022 10.954 0.775 1.00 0.00 N ATOM 1869 CA LYS A 114 -4.269 11.310 0.122 1.00 0.00 C ATOM 1870 C LYS A 114 -4.570 12.795 0.319 1.00 0.00 C ATOM 1871 O LYS A 114 -4.917 13.500 -0.633 1.00 0.00 O ATOM 1872 CB LYS A 114 -5.429 10.479 0.674 1.00 0.00 C ATOM 1873 CG LYS A 114 -6.735 10.735 -0.060 1.00 0.00 C ATOM 1874 CD LYS A 114 -7.958 10.376 0.766 1.00 0.00 C ATOM 1875 CE LYS A 114 -9.229 10.556 -0.051 1.00 0.00 C ATOM 1876 NZ LYS A 114 -10.455 10.536 0.791 1.00 0.00 N ATOM 0 H LYS A 114 -3.101 10.189 1.445 1.00 0.00 H new ATOM 0 HA LYS A 114 -4.160 11.102 -0.942 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -5.178 9.421 0.603 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -5.561 10.705 1.732 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -6.788 11.787 -0.340 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -6.745 10.158 -0.985 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -7.882 9.344 1.108 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -7.999 11.004 1.656 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -9.179 11.501 -0.592 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -9.292 9.765 -0.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -11.293 10.662 0.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -10.520 9.625 1.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -10.411 11.307 1.487 1.00 0.00 H new ATOM 1890 N ASP A 115 -4.430 13.262 1.559 1.00 0.00 N ATOM 1891 CA ASP A 115 -4.703 14.658 1.881 1.00 0.00 C ATOM 1892 C ASP A 115 -3.723 15.582 1.174 1.00 0.00 C ATOM 1893 O ASP A 115 -4.128 16.584 0.593 1.00 0.00 O ATOM 1894 CB ASP A 115 -4.636 14.905 3.390 1.00 0.00 C ATOM 1895 CG ASP A 115 -5.025 16.328 3.749 1.00 0.00 C ATOM 1896 OD1 ASP A 115 -6.238 16.597 3.897 1.00 0.00 O ATOM 1897 OD2 ASP A 115 -4.127 17.190 3.875 1.00 0.00 O ATOM 0 H ASP A 115 -4.130 12.695 2.352 1.00 0.00 H new ATOM 0 HA ASP A 115 -5.713 14.875 1.534 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -5.299 14.207 3.902 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -3.626 14.704 3.746 1.00 0.00 H new ATOM 1902 N GLU A 116 -2.441 15.231 1.221 1.00 0.00 N ATOM 1903 CA GLU A 116 -1.391 16.027 0.591 1.00 0.00 C ATOM 1904 C GLU A 116 -1.672 16.216 -0.900 1.00 0.00 C ATOM 1905 O GLU A 116 -1.613 17.332 -1.417 1.00 0.00 O ATOM 1906 CB GLU A 116 -0.026 15.353 0.769 1.00 0.00 C ATOM 1907 CG GLU A 116 0.328 15.013 2.210 1.00 0.00 C ATOM 1908 CD GLU A 116 0.278 16.213 3.132 1.00 0.00 C ATOM 1909 OE1 GLU A 116 0.606 17.325 2.692 1.00 0.00 O ATOM 1910 OE2 GLU A 116 -0.096 16.052 4.312 1.00 0.00 O ATOM 0 H GLU A 116 -2.102 14.393 1.693 1.00 0.00 H new ATOM 0 HA GLU A 116 -1.377 17.003 1.076 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -0.007 14.437 0.178 1.00 0.00 H new ATOM 0 HB3 GLU A 116 0.744 16.009 0.364 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -0.360 14.251 2.577 1.00 0.00 H new ATOM 0 HG3 GLU A 116 1.328 14.580 2.240 1.00 0.00 H new ATOM 1917 N ILE A 117 -1.992 15.119 -1.578 1.00 0.00 N ATOM 1918 CA ILE A 117 -2.287 15.150 -3.006 1.00 0.00 C ATOM 1919 C ILE A 117 -3.501 16.032 -3.289 1.00 0.00 C ATOM 1920 O ILE A 117 -3.477 16.873 -4.189 1.00 0.00 O ATOM 1921 CB ILE A 117 -2.536 13.727 -3.557 1.00 0.00 C ATOM 1922 CG1 ILE A 117 -1.273 12.873 -3.414 1.00 0.00 C ATOM 1923 CG2 ILE A 117 -2.978 13.783 -5.012 1.00 0.00 C ATOM 1924 CD1 ILE A 117 -1.444 11.442 -3.881 1.00 0.00 C ATOM 0 H ILE A 117 -2.054 14.191 -1.158 1.00 0.00 H new ATOM 0 HA ILE A 117 -1.417 15.570 -3.511 1.00 0.00 H new ATOM 0 HB ILE A 117 -3.335 13.268 -2.975 1.00 0.00 H new ATOM 0 HG12 ILE A 117 -0.467 13.336 -3.982 1.00 0.00 H new ATOM 0 HG13 ILE A 117 -0.965 12.869 -2.368 1.00 0.00 H new ATOM 0 HG21 ILE A 117 -3.148 12.771 -5.380 1.00 0.00 H new ATOM 0 HG22 ILE A 117 -3.901 14.357 -5.090 1.00 0.00 H new ATOM 0 HG23 ILE A 117 -2.202 14.261 -5.610 1.00 0.00 H new ATOM 0 HD11 ILE A 117 -0.507 10.901 -3.748 1.00 0.00 H new ATOM 0 HD12 ILE A 117 -2.227 10.960 -3.296 1.00 0.00 H new ATOM 0 HD13 ILE A 117 -1.721 11.434 -4.935 1.00 0.00 H new ATOM 1936 N ALA A 118 -4.549 15.859 -2.495 1.00 0.00 N ATOM 1937 CA ALA A 118 -5.770 16.638 -2.662 1.00 0.00 C ATOM 1938 C ALA A 118 -5.566 18.085 -2.211 1.00 0.00 C ATOM 1939 O ALA A 118 -6.359 18.966 -2.536 1.00 0.00 O ATOM 1940 CB ALA A 118 -6.913 15.998 -1.886 1.00 0.00 C ATOM 0 H ALA A 118 -4.579 15.186 -1.729 1.00 0.00 H new ATOM 0 HA ALA A 118 -6.024 16.648 -3.722 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -7.819 16.589 -2.019 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -7.082 14.987 -2.256 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -6.657 15.959 -0.827 1.00 0.00 H new ATOM 1946 N ARG A 119 -4.499 18.317 -1.456 1.00 0.00 N ATOM 1947 CA ARG A 119 -4.183 19.645 -0.958 1.00 0.00 C ATOM 1948 C ARG A 119 -3.326 20.408 -1.969 1.00 0.00 C ATOM 1949 O ARG A 119 -3.246 21.638 -1.926 1.00 0.00 O ATOM 1950 CB ARG A 119 -3.473 19.545 0.400 1.00 0.00 C ATOM 1951 CG ARG A 119 -3.264 20.890 1.076 1.00 0.00 C ATOM 1952 CD ARG A 119 -4.595 21.590 1.299 1.00 0.00 C ATOM 1953 NE ARG A 119 -4.445 22.928 1.860 1.00 0.00 N ATOM 1954 CZ ARG A 119 -5.188 23.970 1.491 1.00 0.00 C ATOM 1955 NH1 ARG A 119 -6.109 23.828 0.543 1.00 0.00 N ATOM 1956 NH2 ARG A 119 -5.013 25.146 2.080 1.00 0.00 N ATOM 0 H ARG A 119 -3.835 17.595 -1.175 1.00 0.00 H new ATOM 0 HA ARG A 119 -5.112 20.199 -0.820 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -4.057 18.903 1.060 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -2.505 19.063 0.260 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -2.757 20.748 2.031 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -2.617 21.515 0.461 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -5.128 21.657 0.351 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -5.209 20.988 1.968 1.00 0.00 H new ATOM 0 HE ARG A 119 -3.732 23.074 2.574 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -6.247 22.921 0.098 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -6.678 24.626 0.261 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -4.311 25.250 2.813 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -5.580 25.946 1.800 1.00 0.00 H new ATOM 1970 N GLU A 120 -2.685 19.669 -2.868 1.00 0.00 N ATOM 1971 CA GLU A 120 -1.940 20.270 -3.966 1.00 0.00 C ATOM 1972 C GLU A 120 -2.888 21.045 -4.876 1.00 0.00 C ATOM 1973 O GLU A 120 -2.693 22.238 -5.116 1.00 0.00 O ATOM 1974 CB GLU A 120 -1.198 19.186 -4.753 1.00 0.00 C ATOM 1975 CG GLU A 120 -0.558 19.668 -6.048 1.00 0.00 C ATOM 1976 CD GLU A 120 0.452 20.776 -5.835 1.00 0.00 C ATOM 1977 OE1 GLU A 120 1.600 20.471 -5.458 1.00 0.00 O ATOM 1978 OE2 GLU A 120 0.105 21.956 -6.064 1.00 0.00 O ATOM 0 H GLU A 120 -2.667 18.649 -2.857 1.00 0.00 H new ATOM 0 HA GLU A 120 -1.204 20.965 -3.561 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -0.422 18.760 -4.116 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -1.896 18.382 -4.986 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -0.068 18.827 -6.539 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -1.338 20.020 -6.723 1.00 0.00 H new