USER MOD reduce.3.24.130724 H: found=0, std=0, add=825, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 828 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 13 GLN : amide:sc= -0.026 K(o=0.072,f=-2.2) USER MOD Set 1.2: A 115 THR OG1 : rot -83:sc= 0.0977 USER MOD Set 2.1: A 42 MET CE :methyl 150:sc= -1.68! (180deg=-0.526) USER MOD Set 2.2: A 56 ASN : amide:sc= -2.89 K(o=-4.6,f=-3.9!) USER MOD Single : A 10 GLN : amide:sc= -0.486 K(o=-0.49,f=-1.3) USER MOD Single : A 16 LYS NZ :NH3+ 157:sc= -0.0642 (180deg=-0.371) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 28:sc= 0.529 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl -160:sc= -1.83 (180deg=-2.43!) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -1.58 K(o=-1.6,f=-6.6!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS : no HD1:sc= -0.0911 X(o=-0.091,f=-0.17) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 46:sc= 0.3 USER MOD Single : A 69 SER OG : rot -160:sc= 0 USER MOD Single : A 76 ASN : amide:sc= -0.702 X(o=-0.7,f=-0.46) USER MOD Single : A 80 SER OG : rot 150:sc=-0.00852 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= -0.563 X(o=-0.56,f=-0.96) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot -34:sc= 0.0485! USER MOD Single : A 94 TYR OH : rot -41:sc= 0.456 USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ -117:sc= 1.07 (180deg=-1.05) USER MOD Single : A 101 LYS NZ :NH3+ -152:sc= -0.113 (180deg=-0.611) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N GLU A 8 -7.740 26.299 -4.416 1.00 0.00 N ATOM 67 CA GLU A 8 -7.132 25.933 -3.142 1.00 0.00 C ATOM 68 C GLU A 8 -6.458 24.567 -3.233 1.00 0.00 C ATOM 69 O GLU A 8 -6.495 23.913 -4.276 1.00 0.00 O ATOM 70 CB GLU A 8 -8.185 25.922 -2.032 1.00 0.00 C ATOM 71 CG GLU A 8 -9.166 24.766 -2.136 1.00 0.00 C ATOM 72 CD GLU A 8 -10.522 25.097 -1.545 1.00 0.00 C ATOM 73 OE1 GLU A 8 -10.563 25.782 -0.501 1.00 0.00 O ATOM 74 OE2 GLU A 8 -11.543 24.672 -2.125 1.00 0.00 O ATOM 0 HA GLU A 8 -6.373 26.678 -2.904 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -7.682 25.875 -1.066 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -8.738 26.861 -2.058 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -9.288 24.491 -3.184 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -8.753 23.897 -1.624 1.00 0.00 H new ATOM 81 N LEU A 9 -5.844 24.142 -2.135 1.00 0.00 N ATOM 82 CA LEU A 9 -5.161 22.854 -2.090 1.00 0.00 C ATOM 83 C LEU A 9 -5.996 21.771 -2.766 1.00 0.00 C ATOM 84 O LEU A 9 -7.219 21.882 -2.855 1.00 0.00 O ATOM 85 CB LEU A 9 -4.871 22.459 -0.641 1.00 0.00 C ATOM 86 CG LEU A 9 -4.585 20.977 -0.393 1.00 0.00 C ATOM 87 CD1 LEU A 9 -3.771 20.796 0.879 1.00 0.00 C ATOM 88 CD2 LEU A 9 -5.884 20.189 -0.315 1.00 0.00 C ATOM 0 H LEU A 9 -5.805 24.670 -1.263 1.00 0.00 H new ATOM 0 HA LEU A 9 -4.219 22.951 -2.630 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -4.015 23.037 -0.292 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -5.724 22.751 -0.028 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.001 20.594 -1.230 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -3.577 19.735 1.039 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -2.824 21.328 0.784 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -4.327 21.195 1.727 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -5.661 19.137 -0.138 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.494 20.573 0.503 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -6.429 20.292 -1.253 1.00 0.00 H new ATOM 100 N GLN A 10 -5.327 20.725 -3.240 1.00 0.00 N ATOM 101 CA GLN A 10 -6.009 19.622 -3.907 1.00 0.00 C ATOM 102 C GLN A 10 -5.216 18.326 -3.764 1.00 0.00 C ATOM 103 O GLN A 10 -4.012 18.292 -4.017 1.00 0.00 O ATOM 104 CB GLN A 10 -6.218 19.944 -5.387 1.00 0.00 C ATOM 105 CG GLN A 10 -6.336 18.711 -6.268 1.00 0.00 C ATOM 106 CD GLN A 10 -7.590 17.908 -5.984 1.00 0.00 C ATOM 107 OE1 GLN A 10 -8.620 18.460 -5.596 1.00 0.00 O ATOM 108 NE2 GLN A 10 -7.509 16.596 -6.176 1.00 0.00 N ATOM 0 H GLN A 10 -4.315 20.618 -3.175 1.00 0.00 H new ATOM 0 HA GLN A 10 -6.980 19.488 -3.431 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -7.121 20.545 -5.495 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -5.385 20.553 -5.739 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -6.334 19.016 -7.315 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -5.462 18.077 -6.118 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -6.635 16.181 -6.499 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -8.321 16.004 -6.001 1.00 0.00 H new ATOM 117 N VAL A 11 -5.900 17.262 -3.355 1.00 0.00 N ATOM 118 CA VAL A 11 -5.260 15.964 -3.179 1.00 0.00 C ATOM 119 C VAL A 11 -4.905 15.339 -4.524 1.00 0.00 C ATOM 120 O VAL A 11 -5.783 14.896 -5.265 1.00 0.00 O ATOM 121 CB VAL A 11 -6.165 14.993 -2.398 1.00 0.00 C ATOM 122 CG1 VAL A 11 -5.552 13.602 -2.362 1.00 0.00 C ATOM 123 CG2 VAL A 11 -6.412 15.513 -0.989 1.00 0.00 C ATOM 0 H VAL A 11 -6.897 17.274 -3.139 1.00 0.00 H new ATOM 0 HA VAL A 11 -4.347 16.136 -2.609 1.00 0.00 H new ATOM 0 HB VAL A 11 -7.125 14.927 -2.910 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -6.206 12.930 -1.806 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -5.432 13.231 -3.380 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -4.578 13.646 -1.874 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -7.053 14.815 -0.451 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -5.461 15.610 -0.465 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -6.899 16.487 -1.041 1.00 0.00 H new ATOM 133 N ILE A 12 -3.613 15.306 -4.832 1.00 0.00 N ATOM 134 CA ILE A 12 -3.142 14.734 -6.087 1.00 0.00 C ATOM 135 C ILE A 12 -2.789 13.260 -5.921 1.00 0.00 C ATOM 136 O ILE A 12 -1.844 12.914 -5.213 1.00 0.00 O ATOM 137 CB ILE A 12 -1.910 15.488 -6.622 1.00 0.00 C ATOM 138 CG1 ILE A 12 -2.268 16.944 -6.924 1.00 0.00 C ATOM 139 CG2 ILE A 12 -1.368 14.801 -7.867 1.00 0.00 C ATOM 140 CD1 ILE A 12 -3.275 17.100 -8.042 1.00 0.00 C ATOM 0 H ILE A 12 -2.874 15.669 -4.230 1.00 0.00 H new ATOM 0 HA ILE A 12 -3.957 14.832 -6.804 1.00 0.00 H new ATOM 0 HB ILE A 12 -1.134 15.475 -5.857 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -2.666 17.407 -6.021 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -1.359 17.486 -7.186 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.498 15.345 -8.233 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.080 13.779 -7.622 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -2.138 14.786 -8.639 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -3.481 18.158 -8.201 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -2.872 16.667 -8.958 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -4.199 16.587 -7.774 1.00 0.00 H new ATOM 152 N GLN A 13 -3.555 12.396 -6.580 1.00 0.00 N ATOM 153 CA GLN A 13 -3.322 10.958 -6.506 1.00 0.00 C ATOM 154 C GLN A 13 -2.950 10.396 -7.874 1.00 0.00 C ATOM 155 O GLN A 13 -3.807 9.992 -8.660 1.00 0.00 O ATOM 156 CB GLN A 13 -4.565 10.246 -5.969 1.00 0.00 C ATOM 157 CG GLN A 13 -4.577 10.103 -4.456 1.00 0.00 C ATOM 158 CD GLN A 13 -5.334 8.874 -3.992 1.00 0.00 C ATOM 159 OE1 GLN A 13 -6.097 8.277 -4.753 1.00 0.00 O ATOM 160 NE2 GLN A 13 -5.127 8.488 -2.739 1.00 0.00 N ATOM 0 H GLN A 13 -4.341 12.666 -7.171 1.00 0.00 H new ATOM 0 HA GLN A 13 -2.490 10.784 -5.824 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -5.452 10.797 -6.281 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -4.630 9.256 -6.420 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -3.551 10.052 -4.092 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -5.029 10.991 -4.014 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -4.486 9.012 -2.143 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -5.609 7.667 -2.372 1.00 0.00 H new ATOM 169 N PRO A 14 -1.642 10.368 -8.167 1.00 0.00 N ATOM 170 CA PRO A 14 -1.126 9.857 -9.441 1.00 0.00 C ATOM 171 C PRO A 14 -1.286 8.346 -9.566 1.00 0.00 C ATOM 172 O PRO A 14 -1.285 7.803 -10.670 1.00 0.00 O ATOM 173 CB PRO A 14 0.356 10.236 -9.402 1.00 0.00 C ATOM 174 CG PRO A 14 0.684 10.334 -7.952 1.00 0.00 C ATOM 175 CD PRO A 14 -0.564 10.833 -7.278 1.00 0.00 C ATOM 0 HA PRO A 14 -1.663 10.272 -10.294 1.00 0.00 H new ATOM 0 HB2 PRO A 14 0.970 9.484 -9.897 1.00 0.00 H new ATOM 0 HB3 PRO A 14 0.536 11.181 -9.913 1.00 0.00 H new ATOM 0 HG2 PRO A 14 0.982 9.364 -7.553 1.00 0.00 H new ATOM 0 HG3 PRO A 14 1.517 11.017 -7.786 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -0.668 10.425 -6.273 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -0.562 11.919 -7.183 1.00 0.00 H new ATOM 183 N GLU A 15 -1.424 7.673 -8.428 1.00 0.00 N ATOM 184 CA GLU A 15 -1.585 6.224 -8.412 1.00 0.00 C ATOM 185 C GLU A 15 -3.024 5.840 -8.080 1.00 0.00 C ATOM 186 O GLU A 15 -3.339 5.489 -6.943 1.00 0.00 O ATOM 187 CB GLU A 15 -0.630 5.594 -7.397 1.00 0.00 C ATOM 188 CG GLU A 15 0.794 5.451 -7.908 1.00 0.00 C ATOM 189 CD GLU A 15 1.563 4.357 -7.193 1.00 0.00 C ATOM 190 OE1 GLU A 15 1.104 3.195 -7.219 1.00 0.00 O ATOM 191 OE2 GLU A 15 2.623 4.662 -6.607 1.00 0.00 O ATOM 0 H GLU A 15 -1.428 8.108 -7.505 1.00 0.00 H new ATOM 0 HA GLU A 15 -1.347 5.847 -9.407 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.623 6.201 -6.492 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.007 4.610 -7.118 1.00 0.00 H new ATOM 0 HG2 GLU A 15 0.773 5.236 -8.976 1.00 0.00 H new ATOM 0 HG3 GLU A 15 1.318 6.399 -7.784 1.00 0.00 H new ATOM 198 N LYS A 16 -3.895 5.909 -9.081 1.00 0.00 N ATOM 199 CA LYS A 16 -5.301 5.569 -8.898 1.00 0.00 C ATOM 200 C LYS A 16 -5.448 4.273 -8.108 1.00 0.00 C ATOM 201 O LYS A 16 -6.326 4.152 -7.253 1.00 0.00 O ATOM 202 CB LYS A 16 -5.995 5.432 -10.256 1.00 0.00 C ATOM 203 CG LYS A 16 -7.486 5.163 -10.152 1.00 0.00 C ATOM 204 CD LYS A 16 -7.778 3.675 -10.051 1.00 0.00 C ATOM 205 CE LYS A 16 -9.183 3.349 -10.533 1.00 0.00 C ATOM 206 NZ LYS A 16 -9.324 3.542 -12.003 1.00 0.00 N ATOM 0 H LYS A 16 -3.651 6.198 -10.028 1.00 0.00 H new ATOM 0 HA LYS A 16 -5.774 6.374 -8.335 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -5.838 6.346 -10.829 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -5.526 4.622 -10.814 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -7.889 5.674 -9.278 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -7.993 5.576 -11.024 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -7.051 3.119 -10.643 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -7.662 3.350 -9.017 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -9.424 2.317 -10.277 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -9.901 3.983 -10.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -10.117 2.968 -12.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -9.507 4.546 -12.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -8.447 3.248 -12.477 1.00 0.00 H new ATOM 220 N SER A 17 -4.583 3.306 -8.398 1.00 0.00 N ATOM 221 CA SER A 17 -4.619 2.018 -7.715 1.00 0.00 C ATOM 222 C SER A 17 -3.228 1.394 -7.659 1.00 0.00 C ATOM 223 O SER A 17 -2.372 1.680 -8.497 1.00 0.00 O ATOM 224 CB SER A 17 -5.588 1.069 -8.423 1.00 0.00 C ATOM 225 OG SER A 17 -5.076 0.662 -9.681 1.00 0.00 O ATOM 0 H SER A 17 -3.849 3.390 -9.101 1.00 0.00 H new ATOM 0 HA SER A 17 -4.965 2.185 -6.695 1.00 0.00 H new ATOM 0 HB2 SER A 17 -5.766 0.193 -7.799 1.00 0.00 H new ATOM 0 HB3 SER A 17 -6.550 1.563 -8.561 1.00 0.00 H new ATOM 0 HG SER A 17 -5.713 0.055 -10.112 1.00 0.00 H new ATOM 231 N VAL A 18 -3.009 0.540 -6.665 1.00 0.00 N ATOM 232 CA VAL A 18 -1.723 -0.126 -6.498 1.00 0.00 C ATOM 233 C VAL A 18 -1.885 -1.642 -6.500 1.00 0.00 C ATOM 234 O VAL A 18 -3.001 -2.158 -6.552 1.00 0.00 O ATOM 235 CB VAL A 18 -1.034 0.303 -5.189 1.00 0.00 C ATOM 236 CG1 VAL A 18 -0.764 1.800 -5.194 1.00 0.00 C ATOM 237 CG2 VAL A 18 -1.880 -0.090 -3.988 1.00 0.00 C ATOM 0 H VAL A 18 -3.706 0.293 -5.963 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.101 0.172 -7.342 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.078 -0.215 -5.116 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.277 2.085 -4.261 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -0.115 2.050 -6.033 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.706 2.339 -5.291 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -1.378 0.221 -3.072 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.852 0.398 -4.052 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.017 -1.171 -3.978 1.00 0.00 H new ATOM 247 N SER A 19 -0.762 -2.352 -6.443 1.00 0.00 N ATOM 248 CA SER A 19 -0.779 -3.810 -6.442 1.00 0.00 C ATOM 249 C SER A 19 0.424 -4.366 -5.687 1.00 0.00 C ATOM 250 O SER A 19 1.559 -3.942 -5.905 1.00 0.00 O ATOM 251 CB SER A 19 -0.785 -4.342 -7.877 1.00 0.00 C ATOM 252 OG SER A 19 -1.441 -5.596 -7.952 1.00 0.00 O ATOM 0 H SER A 19 0.170 -1.941 -6.397 1.00 0.00 H new ATOM 0 HA SER A 19 -1.687 -4.138 -5.936 1.00 0.00 H new ATOM 0 HB2 SER A 19 -1.284 -3.627 -8.531 1.00 0.00 H new ATOM 0 HB3 SER A 19 0.239 -4.442 -8.236 1.00 0.00 H new ATOM 0 HG SER A 19 -1.433 -5.914 -8.879 1.00 0.00 H new ATOM 258 N VAL A 20 0.167 -5.320 -4.797 1.00 0.00 N ATOM 259 CA VAL A 20 1.228 -5.936 -4.009 1.00 0.00 C ATOM 260 C VAL A 20 0.890 -7.384 -3.671 1.00 0.00 C ATOM 261 O VAL A 20 -0.120 -7.919 -4.126 1.00 0.00 O ATOM 262 CB VAL A 20 1.480 -5.161 -2.703 1.00 0.00 C ATOM 263 CG1 VAL A 20 2.518 -4.071 -2.920 1.00 0.00 C ATOM 264 CG2 VAL A 20 0.180 -4.572 -2.174 1.00 0.00 C ATOM 0 H VAL A 20 -0.767 -5.683 -4.604 1.00 0.00 H new ATOM 0 HA VAL A 20 2.132 -5.909 -4.618 1.00 0.00 H new ATOM 0 HB VAL A 20 1.868 -5.856 -1.958 1.00 0.00 H new ATOM 0 HG11 VAL A 20 2.683 -3.534 -1.986 1.00 0.00 H new ATOM 0 HG12 VAL A 20 3.454 -4.521 -3.250 1.00 0.00 H new ATOM 0 HG13 VAL A 20 2.162 -3.376 -3.680 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.377 -4.028 -1.250 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.239 -3.891 -2.915 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.530 -5.375 -1.978 1.00 0.00 H new ATOM 274 N ALA A 21 1.743 -8.013 -2.868 1.00 0.00 N ATOM 275 CA ALA A 21 1.534 -9.398 -2.466 1.00 0.00 C ATOM 276 C ALA A 21 1.620 -9.549 -0.952 1.00 0.00 C ATOM 277 O ALA A 21 2.420 -8.882 -0.296 1.00 0.00 O ATOM 278 CB ALA A 21 2.549 -10.304 -3.147 1.00 0.00 C ATOM 0 H ALA A 21 2.585 -7.585 -2.483 1.00 0.00 H new ATOM 0 HA ALA A 21 0.532 -9.694 -2.778 1.00 0.00 H new ATOM 0 HB1 ALA A 21 2.381 -11.336 -2.838 1.00 0.00 H new ATOM 0 HB2 ALA A 21 2.438 -10.227 -4.229 1.00 0.00 H new ATOM 0 HB3 ALA A 21 3.556 -10.000 -2.863 1.00 0.00 H new ATOM 284 N ALA A 22 0.790 -10.430 -0.401 1.00 0.00 N ATOM 285 CA ALA A 22 0.774 -10.669 1.036 1.00 0.00 C ATOM 286 C ALA A 22 2.190 -10.732 1.599 1.00 0.00 C ATOM 287 O ALA A 22 2.931 -11.678 1.337 1.00 0.00 O ATOM 288 CB ALA A 22 0.022 -11.954 1.349 1.00 0.00 C ATOM 0 H ALA A 22 0.120 -10.989 -0.929 1.00 0.00 H new ATOM 0 HA ALA A 22 0.259 -9.834 1.512 1.00 0.00 H new ATOM 0 HB1 ALA A 22 0.018 -12.120 2.426 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -1.004 -11.872 0.991 1.00 0.00 H new ATOM 0 HB3 ALA A 22 0.513 -12.792 0.855 1.00 0.00 H new ATOM 294 N GLY A 23 2.560 -9.716 2.374 1.00 0.00 N ATOM 295 CA GLY A 23 3.887 -9.676 2.960 1.00 0.00 C ATOM 296 C GLY A 23 4.784 -8.652 2.293 1.00 0.00 C ATOM 297 O GLY A 23 5.965 -8.547 2.621 1.00 0.00 O ATOM 0 H GLY A 23 1.965 -8.921 2.606 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.805 -9.446 4.022 1.00 0.00 H new ATOM 0 HA3 GLY A 23 4.345 -10.662 2.882 1.00 0.00 H new ATOM 301 N GLU A 24 4.222 -7.896 1.355 1.00 0.00 N ATOM 302 CA GLU A 24 4.982 -6.878 0.639 1.00 0.00 C ATOM 303 C GLU A 24 4.644 -5.483 1.158 1.00 0.00 C ATOM 304 O GLU A 24 3.750 -5.317 1.987 1.00 0.00 O ATOM 305 CB GLU A 24 4.696 -6.958 -0.862 1.00 0.00 C ATOM 306 CG GLU A 24 5.142 -8.265 -1.497 1.00 0.00 C ATOM 307 CD GLU A 24 6.648 -8.437 -1.483 1.00 0.00 C ATOM 308 OE1 GLU A 24 7.212 -8.633 -0.386 1.00 0.00 O ATOM 309 OE2 GLU A 24 7.264 -8.375 -2.568 1.00 0.00 O ATOM 0 H GLU A 24 3.244 -7.969 1.073 1.00 0.00 H new ATOM 0 HA GLU A 24 6.042 -7.065 0.810 1.00 0.00 H new ATOM 0 HB2 GLU A 24 3.626 -6.830 -1.027 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.197 -6.130 -1.364 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.680 -9.098 -0.967 1.00 0.00 H new ATOM 0 HG3 GLU A 24 4.785 -8.305 -2.526 1.00 0.00 H new ATOM 316 N SER A 25 5.368 -4.483 0.664 1.00 0.00 N ATOM 317 CA SER A 25 5.149 -3.103 1.080 1.00 0.00 C ATOM 318 C SER A 25 4.403 -2.322 0.002 1.00 0.00 C ATOM 319 O SER A 25 4.887 -2.173 -1.119 1.00 0.00 O ATOM 320 CB SER A 25 6.485 -2.423 1.386 1.00 0.00 C ATOM 321 OG SER A 25 7.303 -2.363 0.231 1.00 0.00 O ATOM 0 H SER A 25 6.111 -4.603 -0.025 1.00 0.00 H new ATOM 0 HA SER A 25 4.539 -3.114 1.983 1.00 0.00 H new ATOM 0 HB2 SER A 25 6.306 -1.415 1.761 1.00 0.00 H new ATOM 0 HB3 SER A 25 7.003 -2.970 2.174 1.00 0.00 H new ATOM 0 HG SER A 25 6.738 -2.348 -0.570 1.00 0.00 H new ATOM 327 N ALA A 26 3.220 -1.826 0.352 1.00 0.00 N ATOM 328 CA ALA A 26 2.407 -1.059 -0.584 1.00 0.00 C ATOM 329 C ALA A 26 2.745 0.426 -0.515 1.00 0.00 C ATOM 330 O ALA A 26 2.855 1.000 0.569 1.00 0.00 O ATOM 331 CB ALA A 26 0.928 -1.279 -0.301 1.00 0.00 C ATOM 0 H ALA A 26 2.804 -1.942 1.276 1.00 0.00 H new ATOM 0 HA ALA A 26 2.629 -1.409 -1.592 1.00 0.00 H new ATOM 0 HB1 ALA A 26 0.332 -0.700 -1.007 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.691 -2.337 -0.408 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.700 -0.957 0.715 1.00 0.00 H new ATOM 337 N THR A 27 2.910 1.046 -1.680 1.00 0.00 N ATOM 338 CA THR A 27 3.238 2.464 -1.752 1.00 0.00 C ATOM 339 C THR A 27 2.023 3.289 -2.160 1.00 0.00 C ATOM 340 O THR A 27 1.563 3.214 -3.301 1.00 0.00 O ATOM 341 CB THR A 27 4.381 2.726 -2.749 1.00 0.00 C ATOM 342 OG1 THR A 27 5.384 1.712 -2.623 1.00 0.00 O ATOM 343 CG2 THR A 27 5.004 4.094 -2.512 1.00 0.00 C ATOM 0 H THR A 27 2.822 0.587 -2.587 1.00 0.00 H new ATOM 0 HA THR A 27 3.560 2.765 -0.755 1.00 0.00 H new ATOM 0 HB THR A 27 3.966 2.703 -3.757 1.00 0.00 H new ATOM 0 HG1 THR A 27 6.107 1.885 -3.262 1.00 0.00 H new ATOM 0 HG21 THR A 27 5.809 4.256 -3.229 1.00 0.00 H new ATOM 0 HG22 THR A 27 4.245 4.866 -2.638 1.00 0.00 H new ATOM 0 HG23 THR A 27 5.405 4.141 -1.499 1.00 0.00 H new ATOM 351 N LEU A 28 1.506 4.076 -1.224 1.00 0.00 N ATOM 352 CA LEU A 28 0.343 4.917 -1.487 1.00 0.00 C ATOM 353 C LEU A 28 0.764 6.357 -1.763 1.00 0.00 C ATOM 354 O LEU A 28 0.956 7.146 -0.837 1.00 0.00 O ATOM 355 CB LEU A 28 -0.622 4.873 -0.301 1.00 0.00 C ATOM 356 CG LEU A 28 -0.935 3.485 0.259 1.00 0.00 C ATOM 357 CD1 LEU A 28 -1.874 3.590 1.451 1.00 0.00 C ATOM 358 CD2 LEU A 28 -1.537 2.598 -0.821 1.00 0.00 C ATOM 0 H LEU A 28 1.874 4.150 -0.275 1.00 0.00 H new ATOM 0 HA LEU A 28 -0.162 4.530 -2.372 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.207 5.482 0.502 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.559 5.341 -0.603 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.003 3.031 0.596 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.086 2.593 1.836 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.405 4.189 2.232 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.805 4.064 1.140 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.753 1.614 -0.405 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.459 3.047 -1.189 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.830 2.496 -1.644 1.00 0.00 H new ATOM 370 N ARG A 29 0.903 6.693 -3.041 1.00 0.00 N ATOM 371 CA ARG A 29 1.300 8.039 -3.438 1.00 0.00 C ATOM 372 C ARG A 29 0.267 9.066 -2.985 1.00 0.00 C ATOM 373 O ARG A 29 -0.930 8.780 -2.936 1.00 0.00 O ATOM 374 CB ARG A 29 1.477 8.114 -4.956 1.00 0.00 C ATOM 375 CG ARG A 29 2.782 7.509 -5.447 1.00 0.00 C ATOM 376 CD ARG A 29 3.921 8.515 -5.384 1.00 0.00 C ATOM 377 NE ARG A 29 5.228 7.869 -5.468 1.00 0.00 N ATOM 378 CZ ARG A 29 6.367 8.533 -5.626 1.00 0.00 C ATOM 379 NH1 ARG A 29 6.361 9.856 -5.715 1.00 0.00 N ATOM 380 NH2 ARG A 29 7.517 7.874 -5.694 1.00 0.00 N ATOM 0 H ARG A 29 0.747 6.052 -3.819 1.00 0.00 H new ATOM 0 HA ARG A 29 2.250 8.268 -2.956 1.00 0.00 H new ATOM 0 HB2 ARG A 29 0.644 7.600 -5.436 1.00 0.00 H new ATOM 0 HB3 ARG A 29 1.430 9.157 -5.268 1.00 0.00 H new ATOM 0 HG2 ARG A 29 3.031 6.638 -4.841 1.00 0.00 H new ATOM 0 HG3 ARG A 29 2.660 7.160 -6.472 1.00 0.00 H new ATOM 0 HD2 ARG A 29 3.818 9.231 -6.199 1.00 0.00 H new ATOM 0 HD3 ARG A 29 3.855 9.079 -4.454 1.00 0.00 H new ATOM 0 HE ARG A 29 5.268 6.852 -5.402 1.00 0.00 H new ATOM 0 HH11 ARG A 29 5.480 10.367 -5.662 1.00 0.00 H new ATOM 0 HH12 ARG A 29 7.238 10.363 -5.836 1.00 0.00 H new ATOM 0 HH21 ARG A 29 7.527 6.856 -5.625 1.00 0.00 H new ATOM 0 HH22 ARG A 29 8.391 8.385 -5.815 1.00 0.00 H new ATOM 394 N CYS A 30 0.737 10.264 -2.653 1.00 0.00 N ATOM 395 CA CYS A 30 -0.144 11.334 -2.203 1.00 0.00 C ATOM 396 C CYS A 30 0.630 12.638 -2.025 1.00 0.00 C ATOM 397 O CYS A 30 1.654 12.675 -1.343 1.00 0.00 O ATOM 398 CB CYS A 30 -0.821 10.946 -0.886 1.00 0.00 C ATOM 399 SG CYS A 30 -2.087 12.129 -0.324 1.00 0.00 S ATOM 0 H CYS A 30 1.724 10.518 -2.687 1.00 0.00 H new ATOM 0 HA CYS A 30 -0.908 11.487 -2.966 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -1.282 9.965 -1.002 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -0.059 10.851 -0.112 1.00 0.00 H new ATOM 404 N ALA A 31 0.132 13.704 -2.642 1.00 0.00 N ATOM 405 CA ALA A 31 0.775 15.009 -2.550 1.00 0.00 C ATOM 406 C ALA A 31 -0.250 16.134 -2.651 1.00 0.00 C ATOM 407 O ALA A 31 -1.283 15.989 -3.304 1.00 0.00 O ATOM 408 CB ALA A 31 1.830 15.155 -3.637 1.00 0.00 C ATOM 0 H ALA A 31 -0.715 13.690 -3.211 1.00 0.00 H new ATOM 0 HA ALA A 31 1.260 15.080 -1.576 1.00 0.00 H new ATOM 0 HB1 ALA A 31 2.302 16.134 -3.557 1.00 0.00 H new ATOM 0 HB2 ALA A 31 2.585 14.377 -3.518 1.00 0.00 H new ATOM 0 HB3 ALA A 31 1.360 15.058 -4.616 1.00 0.00 H new ATOM 414 N MET A 32 0.042 17.254 -1.998 1.00 0.00 N ATOM 415 CA MET A 32 -0.855 18.404 -2.014 1.00 0.00 C ATOM 416 C MET A 32 -0.283 19.527 -2.873 1.00 0.00 C ATOM 417 O MET A 32 0.920 19.792 -2.847 1.00 0.00 O ATOM 418 CB MET A 32 -1.100 18.907 -0.591 1.00 0.00 C ATOM 419 CG MET A 32 -1.686 17.854 0.335 1.00 0.00 C ATOM 420 SD MET A 32 -3.159 17.070 -0.350 1.00 0.00 S ATOM 421 CE MET A 32 -3.077 15.459 0.427 1.00 0.00 C ATOM 0 H MET A 32 0.892 17.390 -1.451 1.00 0.00 H new ATOM 0 HA MET A 32 -1.804 18.087 -2.447 1.00 0.00 H new ATOM 0 HB2 MET A 32 -0.158 19.262 -0.173 1.00 0.00 H new ATOM 0 HB3 MET A 32 -1.775 19.762 -0.628 1.00 0.00 H new ATOM 0 HG2 MET A 32 -0.933 17.092 0.535 1.00 0.00 H new ATOM 0 HG3 MET A 32 -1.935 18.314 1.291 1.00 0.00 H new ATOM 0 HE1 MET A 32 -3.682 14.751 -0.139 1.00 0.00 H new ATOM 0 HE2 MET A 32 -2.042 15.117 0.448 1.00 0.00 H new ATOM 0 HE3 MET A 32 -3.457 15.527 1.446 1.00 0.00 H new ATOM 431 N THR A 33 -1.151 20.186 -3.633 1.00 0.00 N ATOM 432 CA THR A 33 -0.732 21.280 -4.500 1.00 0.00 C ATOM 433 C THR A 33 -0.377 22.520 -3.688 1.00 0.00 C ATOM 434 O THR A 33 0.017 23.546 -4.243 1.00 0.00 O ATOM 435 CB THR A 33 -1.830 21.644 -5.517 1.00 0.00 C ATOM 436 OG1 THR A 33 -2.785 22.524 -4.914 1.00 0.00 O ATOM 437 CG2 THR A 33 -2.535 20.394 -6.023 1.00 0.00 C ATOM 0 H THR A 33 -2.150 19.981 -3.666 1.00 0.00 H new ATOM 0 HA THR A 33 0.151 20.936 -5.038 1.00 0.00 H new ATOM 0 HB THR A 33 -1.359 22.144 -6.363 1.00 0.00 H new ATOM 0 HG1 THR A 33 -3.478 22.752 -5.568 1.00 0.00 H new ATOM 0 HG21 THR A 33 -3.306 20.676 -6.740 1.00 0.00 H new ATOM 0 HG22 THR A 33 -1.811 19.739 -6.508 1.00 0.00 H new ATOM 0 HG23 THR A 33 -2.994 19.870 -5.184 1.00 0.00 H new ATOM 445 N SER A 34 -0.519 22.420 -2.370 1.00 0.00 N ATOM 446 CA SER A 34 -0.215 23.535 -1.481 1.00 0.00 C ATOM 447 C SER A 34 -0.331 23.112 -0.020 1.00 0.00 C ATOM 448 O SER A 34 -0.852 22.040 0.289 1.00 0.00 O ATOM 449 CB SER A 34 -1.157 24.708 -1.761 1.00 0.00 C ATOM 450 OG SER A 34 -0.548 25.943 -1.424 1.00 0.00 O ATOM 0 H SER A 34 -0.843 21.578 -1.894 1.00 0.00 H new ATOM 0 HA SER A 34 0.812 23.849 -1.669 1.00 0.00 H new ATOM 0 HB2 SER A 34 -1.435 24.712 -2.815 1.00 0.00 H new ATOM 0 HB3 SER A 34 -2.077 24.584 -1.189 1.00 0.00 H new ATOM 0 HG SER A 34 -1.169 26.677 -1.614 1.00 0.00 H new ATOM 456 N LEU A 35 0.157 23.963 0.876 1.00 0.00 N ATOM 457 CA LEU A 35 0.109 23.679 2.306 1.00 0.00 C ATOM 458 C LEU A 35 -0.990 24.489 2.985 1.00 0.00 C ATOM 459 O LEU A 35 -1.242 24.332 4.180 1.00 0.00 O ATOM 460 CB LEU A 35 1.460 23.989 2.953 1.00 0.00 C ATOM 461 CG LEU A 35 2.666 23.242 2.380 1.00 0.00 C ATOM 462 CD1 LEU A 35 3.933 24.065 2.549 1.00 0.00 C ATOM 463 CD2 LEU A 35 2.817 21.883 3.047 1.00 0.00 C ATOM 0 H LEU A 35 0.590 24.855 0.638 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.114 22.620 2.434 1.00 0.00 H new ATOM 0 HB2 LEU A 35 1.645 25.059 2.865 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.391 23.764 4.017 1.00 0.00 H new ATOM 0 HG LEU A 35 2.499 23.085 1.314 1.00 0.00 H new ATOM 0 HD11 LEU A 35 4.780 23.518 2.136 1.00 0.00 H new ATOM 0 HD12 LEU A 35 3.823 25.014 2.024 1.00 0.00 H new ATOM 0 HD13 LEU A 35 4.105 24.254 3.609 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.680 21.366 2.627 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.961 22.018 4.119 1.00 0.00 H new ATOM 0 HD23 LEU A 35 1.919 21.291 2.873 1.00 0.00 H new ATOM 475 N ILE A 36 -1.642 25.354 2.215 1.00 0.00 N ATOM 476 CA ILE A 36 -2.717 26.186 2.742 1.00 0.00 C ATOM 477 C ILE A 36 -4.065 25.780 2.156 1.00 0.00 C ATOM 478 O ILE A 36 -4.197 25.521 0.960 1.00 0.00 O ATOM 479 CB ILE A 36 -2.470 27.678 2.447 1.00 0.00 C ATOM 480 CG1 ILE A 36 -1.144 28.129 3.062 1.00 0.00 C ATOM 481 CG2 ILE A 36 -3.620 28.520 2.979 1.00 0.00 C ATOM 482 CD1 ILE A 36 -0.964 27.692 4.499 1.00 0.00 C ATOM 0 H ILE A 36 -1.445 25.497 1.225 1.00 0.00 H new ATOM 0 HA ILE A 36 -2.733 26.035 3.821 1.00 0.00 H new ATOM 0 HB ILE A 36 -2.413 27.815 1.367 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -0.323 27.733 2.465 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.080 29.216 3.011 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.431 29.572 2.763 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.549 28.212 2.499 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -3.705 28.380 4.057 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -0.002 28.047 4.869 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.765 28.110 5.109 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -0.995 26.604 4.555 1.00 0.00 H new ATOM 494 N PRO A 37 -5.091 25.723 3.017 1.00 0.00 N ATOM 495 CA PRO A 37 -4.946 26.029 4.444 1.00 0.00 C ATOM 496 C PRO A 37 -4.139 24.968 5.184 1.00 0.00 C ATOM 497 O PRO A 37 -4.118 23.802 4.790 1.00 0.00 O ATOM 498 CB PRO A 37 -6.390 26.053 4.950 1.00 0.00 C ATOM 499 CG PRO A 37 -7.139 25.181 4.002 1.00 0.00 C ATOM 500 CD PRO A 37 -6.473 25.357 2.665 1.00 0.00 C ATOM 0 HA PRO A 37 -4.407 26.962 4.609 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -6.458 25.677 5.971 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -6.790 27.067 4.956 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -7.106 24.139 4.321 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -8.190 25.467 3.955 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -6.508 24.441 2.075 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -6.957 26.135 2.075 1.00 0.00 H new ATOM 508 N VAL A 38 -3.477 25.380 6.261 1.00 0.00 N ATOM 509 CA VAL A 38 -2.670 24.464 7.058 1.00 0.00 C ATOM 510 C VAL A 38 -3.478 23.242 7.478 1.00 0.00 C ATOM 511 O VAL A 38 -4.701 23.306 7.602 1.00 0.00 O ATOM 512 CB VAL A 38 -2.114 25.156 8.317 1.00 0.00 C ATOM 513 CG1 VAL A 38 -0.994 24.329 8.931 1.00 0.00 C ATOM 514 CG2 VAL A 38 -1.631 26.559 7.984 1.00 0.00 C ATOM 0 H VAL A 38 -3.484 26.342 6.601 1.00 0.00 H new ATOM 0 HA VAL A 38 -1.838 24.147 6.429 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.917 25.237 9.050 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -0.614 24.834 9.819 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.377 23.347 9.208 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -0.188 24.213 8.206 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -1.242 27.033 8.885 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.843 26.504 7.233 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -2.462 27.147 7.595 1.00 0.00 H new ATOM 524 N GLY A 39 -2.787 22.127 7.697 1.00 0.00 N ATOM 525 CA GLY A 39 -3.457 20.906 8.102 1.00 0.00 C ATOM 526 C GLY A 39 -2.597 19.675 7.890 1.00 0.00 C ATOM 527 O GLY A 39 -1.927 19.529 6.867 1.00 0.00 O ATOM 0 H GLY A 39 -1.775 22.048 7.601 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -3.731 20.977 9.155 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -4.384 20.800 7.538 1.00 0.00 H new ATOM 531 N PRO A 40 -2.609 18.763 8.873 1.00 0.00 N ATOM 532 CA PRO A 40 -1.829 17.524 8.813 1.00 0.00 C ATOM 533 C PRO A 40 -2.368 16.550 7.771 1.00 0.00 C ATOM 534 O PRO A 40 -3.148 16.930 6.898 1.00 0.00 O ATOM 535 CB PRO A 40 -1.981 16.940 10.220 1.00 0.00 C ATOM 536 CG PRO A 40 -3.265 17.501 10.726 1.00 0.00 C ATOM 537 CD PRO A 40 -3.385 18.872 10.120 1.00 0.00 C ATOM 0 HA PRO A 40 -0.795 17.707 8.523 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -2.007 15.851 10.196 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -1.145 17.225 10.859 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -4.107 16.872 10.437 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -3.266 17.554 11.815 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -4.425 19.135 9.925 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -2.980 19.640 10.779 1.00 0.00 H new ATOM 545 N ILE A 41 -1.947 15.293 7.869 1.00 0.00 N ATOM 546 CA ILE A 41 -2.390 14.265 6.935 1.00 0.00 C ATOM 547 C ILE A 41 -2.802 12.995 7.671 1.00 0.00 C ATOM 548 O ILE A 41 -2.158 12.589 8.638 1.00 0.00 O ATOM 549 CB ILE A 41 -1.289 13.920 5.915 1.00 0.00 C ATOM 550 CG1 ILE A 41 -0.737 15.196 5.276 1.00 0.00 C ATOM 551 CG2 ILE A 41 -1.831 12.979 4.849 1.00 0.00 C ATOM 552 CD1 ILE A 41 -1.743 15.923 4.411 1.00 0.00 C ATOM 0 H ILE A 41 -1.300 14.962 8.585 1.00 0.00 H new ATOM 0 HA ILE A 41 -3.252 14.670 6.404 1.00 0.00 H new ATOM 0 HB ILE A 41 -0.475 13.417 6.437 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.394 15.868 6.063 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.134 14.942 4.671 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -1.041 12.744 4.135 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -2.181 12.060 5.319 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -2.660 13.458 4.328 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.283 16.817 3.991 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.068 15.268 3.602 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -2.604 16.208 5.016 1.00 0.00 H new ATOM 564 N MET A 42 -3.878 12.370 7.205 1.00 0.00 N ATOM 565 CA MET A 42 -4.374 11.143 7.817 1.00 0.00 C ATOM 566 C MET A 42 -4.979 10.217 6.766 1.00 0.00 C ATOM 567 O MET A 42 -5.898 10.600 6.043 1.00 0.00 O ATOM 568 CB MET A 42 -5.417 11.468 8.888 1.00 0.00 C ATOM 569 CG MET A 42 -4.830 12.111 10.134 1.00 0.00 C ATOM 570 SD MET A 42 -6.058 12.369 11.428 1.00 0.00 S ATOM 571 CE MET A 42 -5.372 13.795 12.266 1.00 0.00 C ATOM 0 H MET A 42 -4.423 12.693 6.406 1.00 0.00 H new ATOM 0 HA MET A 42 -3.531 10.633 8.283 1.00 0.00 H new ATOM 0 HB2 MET A 42 -6.166 12.136 8.463 1.00 0.00 H new ATOM 0 HB3 MET A 42 -5.933 10.550 9.171 1.00 0.00 H new ATOM 0 HG2 MET A 42 -4.029 11.481 10.520 1.00 0.00 H new ATOM 0 HG3 MET A 42 -4.382 13.068 9.867 1.00 0.00 H new ATOM 0 HE1 MET A 42 -6.180 14.389 12.694 1.00 0.00 H new ATOM 0 HE2 MET A 42 -4.704 13.463 13.061 1.00 0.00 H new ATOM 0 HE3 MET A 42 -4.814 14.402 11.553 1.00 0.00 H new ATOM 581 N TRP A 43 -4.457 8.998 6.688 1.00 0.00 N ATOM 582 CA TRP A 43 -4.945 8.018 5.725 1.00 0.00 C ATOM 583 C TRP A 43 -6.079 7.189 6.319 1.00 0.00 C ATOM 584 O TRP A 43 -6.107 6.931 7.523 1.00 0.00 O ATOM 585 CB TRP A 43 -3.806 7.100 5.278 1.00 0.00 C ATOM 586 CG TRP A 43 -2.849 7.759 4.332 1.00 0.00 C ATOM 587 CD1 TRP A 43 -1.807 8.579 4.659 1.00 0.00 C ATOM 588 CD2 TRP A 43 -2.847 7.656 2.904 1.00 0.00 C ATOM 589 NE1 TRP A 43 -1.157 8.991 3.520 1.00 0.00 N ATOM 590 CE2 TRP A 43 -1.776 8.438 2.430 1.00 0.00 C ATOM 591 CE3 TRP A 43 -3.645 6.977 1.979 1.00 0.00 C ATOM 592 CZ2 TRP A 43 -1.485 8.559 1.074 1.00 0.00 C ATOM 593 CZ3 TRP A 43 -3.355 7.098 0.633 1.00 0.00 C ATOM 594 CH2 TRP A 43 -2.282 7.883 0.191 1.00 0.00 C ATOM 0 H TRP A 43 -3.696 8.665 7.280 1.00 0.00 H new ATOM 0 HA TRP A 43 -5.329 8.557 4.859 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -3.259 6.757 6.156 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -4.228 6.216 4.800 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -1.534 8.862 5.665 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -0.345 9.608 3.491 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -4.474 6.369 2.310 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -0.659 9.165 0.731 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -3.966 6.579 -0.090 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -2.080 7.956 -0.867 1.00 0.00 H new ATOM 605 N PHE A 44 -7.012 6.774 5.468 1.00 0.00 N ATOM 606 CA PHE A 44 -8.148 5.975 5.910 1.00 0.00 C ATOM 607 C PHE A 44 -8.678 5.106 4.773 1.00 0.00 C ATOM 608 O PHE A 44 -8.861 5.579 3.651 1.00 0.00 O ATOM 609 CB PHE A 44 -9.263 6.882 6.436 1.00 0.00 C ATOM 610 CG PHE A 44 -8.840 7.745 7.590 1.00 0.00 C ATOM 611 CD1 PHE A 44 -8.868 7.256 8.885 1.00 0.00 C ATOM 612 CD2 PHE A 44 -8.414 9.047 7.379 1.00 0.00 C ATOM 613 CE1 PHE A 44 -8.479 8.047 9.950 1.00 0.00 C ATOM 614 CE2 PHE A 44 -8.023 9.843 8.439 1.00 0.00 C ATOM 615 CZ PHE A 44 -8.057 9.343 9.726 1.00 0.00 C ATOM 0 H PHE A 44 -7.003 6.978 4.469 1.00 0.00 H new ATOM 0 HA PHE A 44 -7.810 5.322 6.715 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -9.614 7.520 5.625 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -10.107 6.265 6.744 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -9.198 6.244 9.065 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -8.387 9.444 6.375 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -8.505 7.652 10.955 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -7.691 10.855 8.261 1.00 0.00 H new ATOM 0 HZ PHE A 44 -7.754 9.964 10.556 1.00 0.00 H new ATOM 625 N ARG A 45 -8.920 3.834 5.071 1.00 0.00 N ATOM 626 CA ARG A 45 -9.427 2.899 4.074 1.00 0.00 C ATOM 627 C ARG A 45 -10.906 2.606 4.305 1.00 0.00 C ATOM 628 O ARG A 45 -11.280 1.999 5.308 1.00 0.00 O ATOM 629 CB ARG A 45 -8.626 1.596 4.114 1.00 0.00 C ATOM 630 CG ARG A 45 -8.982 0.629 2.997 1.00 0.00 C ATOM 631 CD ARG A 45 -8.810 -0.817 3.436 1.00 0.00 C ATOM 632 NE ARG A 45 -9.550 -1.108 4.661 1.00 0.00 N ATOM 633 CZ ARG A 45 -9.632 -2.320 5.199 1.00 0.00 C ATOM 634 NH1 ARG A 45 -9.022 -3.347 4.624 1.00 0.00 N ATOM 635 NH2 ARG A 45 -10.324 -2.505 6.316 1.00 0.00 N ATOM 0 H ARG A 45 -8.773 3.427 5.995 1.00 0.00 H new ATOM 0 HA ARG A 45 -9.315 3.358 3.092 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -7.563 1.831 4.055 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -8.792 1.107 5.074 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -10.013 0.795 2.685 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -8.351 0.825 2.130 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -9.150 -1.480 2.641 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -7.752 -1.025 3.594 1.00 0.00 H new ATOM 0 HE ARG A 45 -10.030 -0.339 5.129 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -8.488 -3.208 3.766 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -9.087 -4.276 5.039 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -10.793 -1.717 6.762 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -10.387 -3.436 6.729 1.00 0.00 H new ATOM 649 N GLY A 46 -11.744 3.043 3.370 1.00 0.00 N ATOM 650 CA GLY A 46 -13.173 2.819 3.490 1.00 0.00 C ATOM 651 C GLY A 46 -13.915 4.052 3.968 1.00 0.00 C ATOM 652 O GLY A 46 -14.801 3.961 4.817 1.00 0.00 O ATOM 0 H GLY A 46 -11.459 3.548 2.531 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -13.572 2.511 2.524 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -13.352 1.999 4.185 1.00 0.00 H new ATOM 656 N ALA A 47 -13.551 5.208 3.422 1.00 0.00 N ATOM 657 CA ALA A 47 -14.188 6.464 3.797 1.00 0.00 C ATOM 658 C ALA A 47 -15.707 6.326 3.810 1.00 0.00 C ATOM 659 O ALA A 47 -16.286 5.657 2.956 1.00 0.00 O ATOM 660 CB ALA A 47 -13.765 7.575 2.848 1.00 0.00 C ATOM 0 H ALA A 47 -12.818 5.300 2.718 1.00 0.00 H new ATOM 0 HA ALA A 47 -13.864 6.720 4.806 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -14.249 8.507 3.140 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -12.683 7.698 2.892 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -14.060 7.317 1.831 1.00 0.00 H new ATOM 690 N ARG A 51 -14.443 3.951 8.154 1.00 0.00 N ATOM 691 CA ARG A 51 -13.067 3.840 7.684 1.00 0.00 C ATOM 692 C ARG A 51 -12.130 3.469 8.829 1.00 0.00 C ATOM 693 O ARG A 51 -12.387 3.799 9.986 1.00 0.00 O ATOM 694 CB ARG A 51 -12.616 5.156 7.047 1.00 0.00 C ATOM 695 CG ARG A 51 -12.552 6.316 8.027 1.00 0.00 C ATOM 696 CD ARG A 51 -12.633 7.655 7.311 1.00 0.00 C ATOM 697 NE ARG A 51 -13.011 8.738 8.216 1.00 0.00 N ATOM 698 CZ ARG A 51 -13.493 9.905 7.804 1.00 0.00 C ATOM 699 NH1 ARG A 51 -13.656 10.139 6.509 1.00 0.00 N ATOM 700 NH2 ARG A 51 -13.815 10.840 8.688 1.00 0.00 N ATOM 0 HA ARG A 51 -13.028 3.049 6.935 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -11.632 5.015 6.599 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -13.301 5.412 6.238 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -13.370 6.235 8.743 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -11.624 6.262 8.596 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -11.668 7.882 6.857 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -13.359 7.589 6.501 1.00 0.00 H new ATOM 0 HE ARG A 51 -12.899 8.590 9.219 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -13.411 9.422 5.826 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -14.026 11.036 6.196 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -13.692 10.663 9.685 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -14.185 11.736 8.371 1.00 0.00 H new ATOM 714 N GLU A 52 -11.042 2.780 8.497 1.00 0.00 N ATOM 715 CA GLU A 52 -10.068 2.363 9.498 1.00 0.00 C ATOM 716 C GLU A 52 -8.780 3.172 9.375 1.00 0.00 C ATOM 717 O GLU A 52 -8.093 3.115 8.353 1.00 0.00 O ATOM 718 CB GLU A 52 -9.762 0.870 9.354 1.00 0.00 C ATOM 719 CG GLU A 52 -8.693 0.373 10.312 1.00 0.00 C ATOM 720 CD GLU A 52 -8.295 -1.066 10.046 1.00 0.00 C ATOM 721 OE1 GLU A 52 -9.180 -1.946 10.095 1.00 0.00 O ATOM 722 OE2 GLU A 52 -7.098 -1.312 9.788 1.00 0.00 O ATOM 0 H GLU A 52 -10.814 2.499 7.543 1.00 0.00 H new ATOM 0 HA GLU A 52 -10.498 2.545 10.483 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -10.678 0.302 9.519 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -9.443 0.670 8.331 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -7.813 1.011 10.231 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -9.058 0.462 11.335 1.00 0.00 H new ATOM 729 N LEU A 53 -8.459 3.925 10.421 1.00 0.00 N ATOM 730 CA LEU A 53 -7.254 4.747 10.430 1.00 0.00 C ATOM 731 C LEU A 53 -6.050 3.955 9.928 1.00 0.00 C ATOM 732 O LEU A 53 -5.698 2.919 10.493 1.00 0.00 O ATOM 733 CB LEU A 53 -6.981 5.271 11.841 1.00 0.00 C ATOM 734 CG LEU A 53 -5.722 6.121 12.010 1.00 0.00 C ATOM 735 CD1 LEU A 53 -5.713 7.266 11.009 1.00 0.00 C ATOM 736 CD2 LEU A 53 -5.625 6.654 13.432 1.00 0.00 C ATOM 0 H LEU A 53 -9.016 3.983 11.274 1.00 0.00 H new ATOM 0 HA LEU A 53 -7.415 5.591 9.760 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -7.840 5.862 12.160 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -6.913 4.418 12.517 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.853 5.491 11.819 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -4.809 7.860 11.144 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -5.735 6.864 9.996 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -6.588 7.895 11.168 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -4.723 7.257 13.534 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -6.498 7.268 13.651 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.584 5.819 14.132 1.00 0.00 H new ATOM 748 N ILE A 54 -5.423 4.451 8.867 1.00 0.00 N ATOM 749 CA ILE A 54 -4.257 3.791 8.292 1.00 0.00 C ATOM 750 C ILE A 54 -2.964 4.413 8.807 1.00 0.00 C ATOM 751 O ILE A 54 -2.019 3.706 9.156 1.00 0.00 O ATOM 752 CB ILE A 54 -4.271 3.864 6.754 1.00 0.00 C ATOM 753 CG1 ILE A 54 -5.431 3.038 6.193 1.00 0.00 C ATOM 754 CG2 ILE A 54 -2.945 3.378 6.189 1.00 0.00 C ATOM 755 CD1 ILE A 54 -5.377 1.578 6.584 1.00 0.00 C ATOM 0 H ILE A 54 -5.702 5.307 8.388 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.302 2.746 8.599 1.00 0.00 H new ATOM 0 HB ILE A 54 -4.412 4.903 6.455 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -6.372 3.464 6.541 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -5.429 3.115 5.106 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -2.970 3.436 5.101 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -2.137 4.004 6.567 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -2.776 2.345 6.494 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -6.229 1.054 6.152 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -4.453 1.136 6.213 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -5.410 1.491 7.670 1.00 0.00 H new ATOM 767 N TYR A 55 -2.930 5.740 8.854 1.00 0.00 N ATOM 768 CA TYR A 55 -1.752 6.459 9.327 1.00 0.00 C ATOM 769 C TYR A 55 -2.131 7.839 9.855 1.00 0.00 C ATOM 770 O TYR A 55 -3.145 8.411 9.456 1.00 0.00 O ATOM 771 CB TYR A 55 -0.726 6.595 8.201 1.00 0.00 C ATOM 772 CG TYR A 55 0.554 7.277 8.627 1.00 0.00 C ATOM 773 CD1 TYR A 55 1.495 6.609 9.402 1.00 0.00 C ATOM 774 CD2 TYR A 55 0.823 8.588 8.256 1.00 0.00 C ATOM 775 CE1 TYR A 55 2.665 7.229 9.795 1.00 0.00 C ATOM 776 CE2 TYR A 55 1.992 9.215 8.643 1.00 0.00 C ATOM 777 CZ TYR A 55 2.910 8.531 9.412 1.00 0.00 C ATOM 778 OH TYR A 55 4.075 9.152 9.801 1.00 0.00 O ATOM 0 H TYR A 55 -3.705 6.340 8.570 1.00 0.00 H new ATOM 0 HA TYR A 55 -1.312 5.887 10.144 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -0.489 5.603 7.816 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -1.172 7.157 7.381 1.00 0.00 H new ATOM 0 HD1 TYR A 55 1.308 5.588 9.702 1.00 0.00 H new ATOM 0 HD2 TYR A 55 0.106 9.127 7.654 1.00 0.00 H new ATOM 0 HE1 TYR A 55 3.385 6.697 10.399 1.00 0.00 H new ATOM 0 HE2 TYR A 55 2.186 10.235 8.345 1.00 0.00 H new ATOM 0 HH TYR A 55 4.093 10.066 9.447 1.00 0.00 H new ATOM 788 N ASN A 56 -1.308 8.368 10.754 1.00 0.00 N ATOM 789 CA ASN A 56 -1.555 9.681 11.338 1.00 0.00 C ATOM 790 C ASN A 56 -0.258 10.474 11.462 1.00 0.00 C ATOM 791 O ASN A 56 0.676 10.051 12.143 1.00 0.00 O ATOM 792 CB ASN A 56 -2.211 9.536 12.712 1.00 0.00 C ATOM 793 CG ASN A 56 -2.367 10.867 13.422 1.00 0.00 C ATOM 794 OD1 ASN A 56 -2.318 10.938 14.650 1.00 0.00 O ATOM 795 ND2 ASN A 56 -2.556 11.931 12.650 1.00 0.00 N ATOM 0 H ASN A 56 -0.464 7.907 11.094 1.00 0.00 H new ATOM 0 HA ASN A 56 -2.230 10.224 10.676 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -3.191 9.072 12.597 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -1.612 8.866 13.329 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -2.667 12.853 13.071 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -2.590 11.826 11.636 1.00 0.00 H new ATOM 802 N GLN A 57 -0.209 11.626 10.801 1.00 0.00 N ATOM 803 CA GLN A 57 0.973 12.478 10.837 1.00 0.00 C ATOM 804 C GLN A 57 1.135 13.127 12.208 1.00 0.00 C ATOM 805 O GLN A 57 2.202 13.057 12.818 1.00 0.00 O ATOM 806 CB GLN A 57 0.884 13.557 9.757 1.00 0.00 C ATOM 807 CG GLN A 57 2.239 14.084 9.311 1.00 0.00 C ATOM 808 CD GLN A 57 2.134 15.051 8.147 1.00 0.00 C ATOM 809 OE1 GLN A 57 1.094 15.144 7.494 1.00 0.00 O ATOM 810 NE2 GLN A 57 3.214 15.776 7.881 1.00 0.00 N ATOM 0 H GLN A 57 -0.975 11.991 10.234 1.00 0.00 H new ATOM 0 HA GLN A 57 1.845 11.853 10.645 1.00 0.00 H new ATOM 0 HB2 GLN A 57 0.358 13.152 8.892 1.00 0.00 H new ATOM 0 HB3 GLN A 57 0.286 14.387 10.133 1.00 0.00 H new ATOM 0 HG2 GLN A 57 2.725 14.582 10.150 1.00 0.00 H new ATOM 0 HG3 GLN A 57 2.875 13.246 9.026 1.00 0.00 H new ATOM 0 HE21 GLN A 57 4.054 15.666 8.448 1.00 0.00 H new ATOM 0 HE22 GLN A 57 3.203 16.443 7.109 1.00 0.00 H new ATOM 819 N LYS A 58 0.068 13.758 12.688 1.00 0.00 N ATOM 820 CA LYS A 58 0.090 14.419 13.987 1.00 0.00 C ATOM 821 C LYS A 58 0.849 13.581 15.011 1.00 0.00 C ATOM 822 O LYS A 58 1.883 14.003 15.528 1.00 0.00 O ATOM 823 CB LYS A 58 -1.337 14.672 14.477 1.00 0.00 C ATOM 824 CG LYS A 58 -1.403 15.380 15.820 1.00 0.00 C ATOM 825 CD LYS A 58 -2.712 16.134 15.989 1.00 0.00 C ATOM 826 CE LYS A 58 -2.685 17.469 15.261 1.00 0.00 C ATOM 827 NZ LYS A 58 -3.975 18.201 15.397 1.00 0.00 N ATOM 0 H LYS A 58 -0.823 13.825 12.196 1.00 0.00 H new ATOM 0 HA LYS A 58 0.603 15.374 13.872 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -1.867 15.269 13.735 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -1.861 13.719 14.552 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -1.296 14.650 16.623 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -0.568 16.075 15.908 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -3.534 15.528 15.609 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -2.903 16.300 17.049 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -1.876 18.082 15.657 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -2.471 17.303 14.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -3.916 19.106 14.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -4.744 17.627 14.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -4.167 18.382 16.403 1.00 0.00 H new ATOM 841 N GLU A 59 0.329 12.392 15.299 1.00 0.00 N ATOM 842 CA GLU A 59 0.959 11.495 16.261 1.00 0.00 C ATOM 843 C GLU A 59 0.651 10.038 15.930 1.00 0.00 C ATOM 844 O GLU A 59 -0.104 9.747 15.003 1.00 0.00 O ATOM 845 CB GLU A 59 0.486 11.819 17.679 1.00 0.00 C ATOM 846 CG GLU A 59 -1.021 11.729 17.853 1.00 0.00 C ATOM 847 CD GLU A 59 -1.449 11.842 19.304 1.00 0.00 C ATOM 848 OE1 GLU A 59 -0.753 12.533 20.076 1.00 0.00 O ATOM 849 OE2 GLU A 59 -2.480 11.238 19.666 1.00 0.00 O ATOM 0 H GLU A 59 -0.527 12.028 14.880 1.00 0.00 H new ATOM 0 HA GLU A 59 2.038 11.642 16.203 1.00 0.00 H new ATOM 0 HB2 GLU A 59 0.966 11.134 18.378 1.00 0.00 H new ATOM 0 HB3 GLU A 59 0.814 12.825 17.942 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -1.498 12.521 17.275 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -1.374 10.781 17.447 1.00 0.00 H new ATOM 856 N GLY A 60 1.241 9.125 16.696 1.00 0.00 N ATOM 857 CA GLY A 60 1.019 7.709 16.468 1.00 0.00 C ATOM 858 C GLY A 60 2.230 7.020 15.872 1.00 0.00 C ATOM 859 O GLY A 60 2.414 7.015 14.655 1.00 0.00 O ATOM 0 H GLY A 60 1.869 9.341 17.470 1.00 0.00 H new ATOM 0 HA2 GLY A 60 0.760 7.229 17.411 1.00 0.00 H new ATOM 0 HA3 GLY A 60 0.167 7.581 15.800 1.00 0.00 H new ATOM 863 N HIS A 61 3.060 6.438 16.732 1.00 0.00 N ATOM 864 CA HIS A 61 4.261 5.743 16.283 1.00 0.00 C ATOM 865 C HIS A 61 3.902 4.458 15.544 1.00 0.00 C ATOM 866 O HIS A 61 3.574 3.445 16.162 1.00 0.00 O ATOM 867 CB HIS A 61 5.166 5.424 17.474 1.00 0.00 C ATOM 868 CG HIS A 61 6.109 4.287 17.223 1.00 0.00 C ATOM 869 ND1 HIS A 61 7.071 4.312 16.236 1.00 0.00 N ATOM 870 CD2 HIS A 61 6.234 3.088 17.838 1.00 0.00 C ATOM 871 CE1 HIS A 61 7.746 3.177 16.253 1.00 0.00 C ATOM 872 NE2 HIS A 61 7.258 2.417 17.217 1.00 0.00 N ATOM 0 H HIS A 61 2.923 6.434 17.743 1.00 0.00 H new ATOM 0 HA HIS A 61 4.795 6.399 15.595 1.00 0.00 H new ATOM 0 HB2 HIS A 61 5.742 6.313 17.730 1.00 0.00 H new ATOM 0 HB3 HIS A 61 4.545 5.186 18.338 1.00 0.00 H new ATOM 0 HD2 HIS A 61 5.639 2.726 18.664 1.00 0.00 H new ATOM 0 HE1 HIS A 61 8.558 2.915 15.592 1.00 0.00 H new ATOM 0 HE2 HIS A 61 7.588 1.483 17.460 1.00 0.00 H new ATOM 881 N PHE A 62 3.964 4.507 14.217 1.00 0.00 N ATOM 882 CA PHE A 62 3.644 3.348 13.393 1.00 0.00 C ATOM 883 C PHE A 62 4.867 2.883 12.608 1.00 0.00 C ATOM 884 O PHE A 62 5.277 3.501 11.626 1.00 0.00 O ATOM 885 CB PHE A 62 2.502 3.680 12.430 1.00 0.00 C ATOM 886 CG PHE A 62 1.257 4.160 13.120 1.00 0.00 C ATOM 887 CD1 PHE A 62 0.484 3.288 13.870 1.00 0.00 C ATOM 888 CD2 PHE A 62 0.859 5.483 13.018 1.00 0.00 C ATOM 889 CE1 PHE A 62 -0.662 3.727 14.505 1.00 0.00 C ATOM 890 CE2 PHE A 62 -0.287 5.928 13.651 1.00 0.00 C ATOM 891 CZ PHE A 62 -1.048 5.049 14.396 1.00 0.00 C ATOM 0 H PHE A 62 4.233 5.338 13.690 1.00 0.00 H new ATOM 0 HA PHE A 62 3.330 2.540 14.054 1.00 0.00 H new ATOM 0 HB2 PHE A 62 2.838 4.445 11.730 1.00 0.00 H new ATOM 0 HB3 PHE A 62 2.263 2.793 11.842 1.00 0.00 H new ATOM 0 HD1 PHE A 62 0.781 2.253 13.959 1.00 0.00 H new ATOM 0 HD2 PHE A 62 1.451 6.175 12.437 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -1.256 3.037 15.086 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -0.587 6.962 13.563 1.00 0.00 H new ATOM 0 HZ PHE A 62 -1.943 5.394 14.892 1.00 0.00 H new ATOM 901 N PRO A 63 5.464 1.767 13.051 1.00 0.00 N ATOM 902 CA PRO A 63 6.649 1.194 12.406 1.00 0.00 C ATOM 903 C PRO A 63 6.333 0.599 11.038 1.00 0.00 C ATOM 904 O PRO A 63 7.050 0.839 10.066 1.00 0.00 O ATOM 905 CB PRO A 63 7.087 0.096 13.378 1.00 0.00 C ATOM 906 CG PRO A 63 5.844 -0.281 14.108 1.00 0.00 C ATOM 907 CD PRO A 63 5.029 0.978 14.216 1.00 0.00 C ATOM 0 HA PRO A 63 7.415 1.947 12.219 1.00 0.00 H new ATOM 0 HB2 PRO A 63 7.509 -0.758 12.847 1.00 0.00 H new ATOM 0 HB3 PRO A 63 7.855 0.457 14.063 1.00 0.00 H new ATOM 0 HG2 PRO A 63 5.296 -1.056 13.571 1.00 0.00 H new ATOM 0 HG3 PRO A 63 6.077 -0.681 15.095 1.00 0.00 H new ATOM 0 HD2 PRO A 63 3.960 0.769 14.183 1.00 0.00 H new ATOM 0 HD3 PRO A 63 5.222 1.503 15.152 1.00 0.00 H new ATOM 915 N ARG A 64 5.256 -0.177 10.969 1.00 0.00 N ATOM 916 CA ARG A 64 4.846 -0.806 9.720 1.00 0.00 C ATOM 917 C ARG A 64 4.852 0.203 8.575 1.00 0.00 C ATOM 918 O ARG A 64 5.134 -0.145 7.429 1.00 0.00 O ATOM 919 CB ARG A 64 3.453 -1.420 9.866 1.00 0.00 C ATOM 920 CG ARG A 64 3.432 -2.692 10.699 1.00 0.00 C ATOM 921 CD ARG A 64 2.023 -3.037 11.153 1.00 0.00 C ATOM 922 NE ARG A 64 1.124 -3.265 10.024 1.00 0.00 N ATOM 923 CZ ARG A 64 -0.060 -3.857 10.135 1.00 0.00 C ATOM 924 NH1 ARG A 64 -0.486 -4.279 11.318 1.00 0.00 N ATOM 925 NH2 ARG A 64 -0.821 -4.028 9.061 1.00 0.00 N ATOM 0 H ARG A 64 4.652 -0.385 11.764 1.00 0.00 H new ATOM 0 HA ARG A 64 5.561 -1.596 9.489 1.00 0.00 H new ATOM 0 HB2 ARG A 64 2.788 -0.686 10.322 1.00 0.00 H new ATOM 0 HB3 ARG A 64 3.056 -1.638 8.875 1.00 0.00 H new ATOM 0 HG2 ARG A 64 3.840 -3.517 10.115 1.00 0.00 H new ATOM 0 HG3 ARG A 64 4.076 -2.569 11.570 1.00 0.00 H new ATOM 0 HD2 ARG A 64 2.052 -3.929 11.779 1.00 0.00 H new ATOM 0 HD3 ARG A 64 1.632 -2.227 11.770 1.00 0.00 H new ATOM 0 HE ARG A 64 1.422 -2.952 9.100 1.00 0.00 H new ATOM 0 HH11 ARG A 64 0.096 -4.149 12.146 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -1.396 -4.733 11.400 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -0.497 -3.705 8.150 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -1.730 -4.483 9.147 1.00 0.00 H new ATOM 939 N VAL A 65 4.537 1.454 8.895 1.00 0.00 N ATOM 940 CA VAL A 65 4.506 2.514 7.894 1.00 0.00 C ATOM 941 C VAL A 65 5.870 3.179 7.755 1.00 0.00 C ATOM 942 O VAL A 65 6.458 3.628 8.740 1.00 0.00 O ATOM 943 CB VAL A 65 3.457 3.587 8.245 1.00 0.00 C ATOM 944 CG1 VAL A 65 3.256 4.539 7.077 1.00 0.00 C ATOM 945 CG2 VAL A 65 2.142 2.935 8.645 1.00 0.00 C ATOM 0 H VAL A 65 4.300 1.758 9.839 1.00 0.00 H new ATOM 0 HA VAL A 65 4.235 2.047 6.947 1.00 0.00 H new ATOM 0 HB VAL A 65 3.823 4.164 9.094 1.00 0.00 H new ATOM 0 HG11 VAL A 65 2.512 5.290 7.343 1.00 0.00 H new ATOM 0 HG12 VAL A 65 4.200 5.031 6.842 1.00 0.00 H new ATOM 0 HG13 VAL A 65 2.912 3.980 6.207 1.00 0.00 H new ATOM 0 HG21 VAL A 65 1.413 3.707 8.890 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.768 2.332 7.817 1.00 0.00 H new ATOM 0 HG23 VAL A 65 2.302 2.298 9.515 1.00 0.00 H new ATOM 955 N THR A 66 6.370 3.240 6.525 1.00 0.00 N ATOM 956 CA THR A 66 7.667 3.850 6.256 1.00 0.00 C ATOM 957 C THR A 66 7.512 5.144 5.466 1.00 0.00 C ATOM 958 O THR A 66 7.179 5.125 4.280 1.00 0.00 O ATOM 959 CB THR A 66 8.587 2.892 5.476 1.00 0.00 C ATOM 960 OG1 THR A 66 8.743 1.666 6.199 1.00 0.00 O ATOM 961 CG2 THR A 66 9.950 3.525 5.240 1.00 0.00 C ATOM 0 H THR A 66 5.897 2.874 5.699 1.00 0.00 H new ATOM 0 HA THR A 66 8.120 4.070 7.223 1.00 0.00 H new ATOM 0 HB THR A 66 8.127 2.687 4.509 1.00 0.00 H new ATOM 0 HG1 THR A 66 9.328 1.062 5.696 1.00 0.00 H new ATOM 0 HG21 THR A 66 10.583 2.831 4.688 1.00 0.00 H new ATOM 0 HG22 THR A 66 9.830 4.443 4.665 1.00 0.00 H new ATOM 0 HG23 THR A 66 10.415 3.756 6.199 1.00 0.00 H new ATOM 969 N THR A 67 7.757 6.270 6.129 1.00 0.00 N ATOM 970 CA THR A 67 7.644 7.574 5.489 1.00 0.00 C ATOM 971 C THR A 67 8.659 7.722 4.361 1.00 0.00 C ATOM 972 O THR A 67 9.857 7.863 4.605 1.00 0.00 O ATOM 973 CB THR A 67 7.849 8.717 6.501 1.00 0.00 C ATOM 974 OG1 THR A 67 9.034 8.484 7.270 1.00 0.00 O ATOM 975 CG2 THR A 67 6.651 8.837 7.431 1.00 0.00 C ATOM 0 H THR A 67 8.035 6.305 7.110 1.00 0.00 H new ATOM 0 HA THR A 67 6.636 7.638 5.079 1.00 0.00 H new ATOM 0 HB THR A 67 7.954 9.649 5.946 1.00 0.00 H new ATOM 0 HG1 THR A 67 9.764 8.219 6.673 1.00 0.00 H new ATOM 0 HG21 THR A 67 6.818 9.651 8.137 1.00 0.00 H new ATOM 0 HG22 THR A 67 5.755 9.043 6.845 1.00 0.00 H new ATOM 0 HG23 THR A 67 6.520 7.903 7.978 1.00 0.00 H new ATOM 983 N VAL A 68 8.172 7.690 3.124 1.00 0.00 N ATOM 984 CA VAL A 68 9.036 7.823 1.958 1.00 0.00 C ATOM 985 C VAL A 68 9.809 9.136 1.993 1.00 0.00 C ATOM 986 O VAL A 68 11.026 9.158 1.811 1.00 0.00 O ATOM 987 CB VAL A 68 8.228 7.749 0.649 1.00 0.00 C ATOM 988 CG1 VAL A 68 9.141 7.937 -0.554 1.00 0.00 C ATOM 989 CG2 VAL A 68 7.479 6.428 0.559 1.00 0.00 C ATOM 0 H VAL A 68 7.183 7.573 2.904 1.00 0.00 H new ATOM 0 HA VAL A 68 9.739 6.991 1.989 1.00 0.00 H new ATOM 0 HB VAL A 68 7.496 8.556 0.649 1.00 0.00 H new ATOM 0 HG11 VAL A 68 8.552 7.882 -1.470 1.00 0.00 H new ATOM 0 HG12 VAL A 68 9.627 8.911 -0.493 1.00 0.00 H new ATOM 0 HG13 VAL A 68 9.899 7.153 -0.562 1.00 0.00 H new ATOM 0 HG21 VAL A 68 6.914 6.393 -0.372 1.00 0.00 H new ATOM 0 HG22 VAL A 68 8.192 5.603 0.582 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.795 6.340 1.403 1.00 0.00 H new ATOM 999 N SER A 69 9.093 10.231 2.228 1.00 0.00 N ATOM 1000 CA SER A 69 9.710 11.551 2.284 1.00 0.00 C ATOM 1001 C SER A 69 9.753 12.071 3.718 1.00 0.00 C ATOM 1002 O SER A 69 8.991 11.623 4.574 1.00 0.00 O ATOM 1003 CB SER A 69 8.945 12.534 1.396 1.00 0.00 C ATOM 1004 OG SER A 69 9.408 12.479 0.058 1.00 0.00 O ATOM 0 H SER A 69 8.085 10.230 2.383 1.00 0.00 H new ATOM 0 HA SER A 69 10.733 11.462 1.917 1.00 0.00 H new ATOM 0 HB2 SER A 69 7.880 12.303 1.425 1.00 0.00 H new ATOM 0 HB3 SER A 69 9.062 13.546 1.783 1.00 0.00 H new ATOM 0 HG SER A 69 9.152 13.301 -0.411 1.00 0.00 H new ATOM 1010 N GLU A 70 10.650 13.019 3.971 1.00 0.00 N ATOM 1011 CA GLU A 70 10.793 13.599 5.301 1.00 0.00 C ATOM 1012 C GLU A 70 9.710 14.643 5.558 1.00 0.00 C ATOM 1013 O GLU A 70 9.462 15.515 4.724 1.00 0.00 O ATOM 1014 CB GLU A 70 12.177 14.233 5.459 1.00 0.00 C ATOM 1015 CG GLU A 70 12.620 14.375 6.905 1.00 0.00 C ATOM 1016 CD GLU A 70 13.072 13.059 7.508 1.00 0.00 C ATOM 1017 OE1 GLU A 70 13.625 12.223 6.763 1.00 0.00 O ATOM 1018 OE2 GLU A 70 12.873 12.865 8.725 1.00 0.00 O ATOM 0 H GLU A 70 11.288 13.401 3.273 1.00 0.00 H new ATOM 0 HA GLU A 70 10.683 12.799 6.033 1.00 0.00 H new ATOM 0 HB2 GLU A 70 12.908 13.628 4.922 1.00 0.00 H new ATOM 0 HB3 GLU A 70 12.172 15.217 4.991 1.00 0.00 H new ATOM 0 HG2 GLU A 70 13.436 15.096 6.962 1.00 0.00 H new ATOM 0 HG3 GLU A 70 11.797 14.777 7.496 1.00 0.00 H new ATOM 1025 N LEU A 71 9.069 14.548 6.717 1.00 0.00 N ATOM 1026 CA LEU A 71 8.012 15.484 7.085 1.00 0.00 C ATOM 1027 C LEU A 71 8.540 16.557 8.032 1.00 0.00 C ATOM 1028 O LEU A 71 8.191 17.732 7.914 1.00 0.00 O ATOM 1029 CB LEU A 71 6.848 14.737 7.740 1.00 0.00 C ATOM 1030 CG LEU A 71 6.368 13.478 7.019 1.00 0.00 C ATOM 1031 CD1 LEU A 71 5.398 12.699 7.894 1.00 0.00 C ATOM 1032 CD2 LEU A 71 5.720 13.838 5.690 1.00 0.00 C ATOM 0 H LEU A 71 9.262 13.833 7.418 1.00 0.00 H new ATOM 0 HA LEU A 71 7.658 15.970 6.176 1.00 0.00 H new ATOM 0 HB2 LEU A 71 7.143 14.461 8.752 1.00 0.00 H new ATOM 0 HB3 LEU A 71 6.006 15.424 7.829 1.00 0.00 H new ATOM 0 HG LEU A 71 7.233 12.845 6.819 1.00 0.00 H new ATOM 0 HD11 LEU A 71 5.067 11.806 7.364 1.00 0.00 H new ATOM 0 HD12 LEU A 71 5.895 12.408 8.819 1.00 0.00 H new ATOM 0 HD13 LEU A 71 4.536 13.324 8.126 1.00 0.00 H new ATOM 0 HD21 LEU A 71 5.384 12.929 5.191 1.00 0.00 H new ATOM 0 HD22 LEU A 71 4.866 14.491 5.867 1.00 0.00 H new ATOM 0 HD23 LEU A 71 6.445 14.352 5.059 1.00 0.00 H new ATOM 1118 N ASN A 76 6.812 20.814 3.268 1.00 0.00 N ATOM 1119 CA ASN A 76 6.777 19.509 2.617 1.00 0.00 C ATOM 1120 C ASN A 76 5.417 19.258 1.974 1.00 0.00 C ATOM 1121 O ASN A 76 4.379 19.632 2.523 1.00 0.00 O ATOM 1122 CB ASN A 76 7.087 18.404 3.628 1.00 0.00 C ATOM 1123 CG ASN A 76 5.863 17.980 4.416 1.00 0.00 C ATOM 1124 OD1 ASN A 76 5.162 18.814 4.991 1.00 0.00 O ATOM 1125 ND2 ASN A 76 5.599 16.679 4.446 1.00 0.00 N ATOM 0 HA ASN A 76 7.536 19.500 1.835 1.00 0.00 H new ATOM 0 HB2 ASN A 76 7.495 17.540 3.104 1.00 0.00 H new ATOM 0 HB3 ASN A 76 7.857 18.752 4.317 1.00 0.00 H new ATOM 0 HD21 ASN A 76 4.788 16.335 4.960 1.00 0.00 H new ATOM 0 HD22 ASN A 76 6.207 16.024 3.955 1.00 0.00 H new ATOM 1132 N LEU A 77 5.428 18.623 0.807 1.00 0.00 N ATOM 1133 CA LEU A 77 4.195 18.321 0.088 1.00 0.00 C ATOM 1134 C LEU A 77 4.044 16.818 -0.125 1.00 0.00 C ATOM 1135 O LEU A 77 2.929 16.303 -0.212 1.00 0.00 O ATOM 1136 CB LEU A 77 4.178 19.044 -1.260 1.00 0.00 C ATOM 1137 CG LEU A 77 3.951 20.555 -1.208 1.00 0.00 C ATOM 1138 CD1 LEU A 77 4.197 21.178 -2.573 1.00 0.00 C ATOM 1139 CD2 LEU A 77 2.543 20.867 -0.723 1.00 0.00 C ATOM 0 H LEU A 77 6.277 18.307 0.338 1.00 0.00 H new ATOM 0 HA LEU A 77 3.356 18.670 0.690 1.00 0.00 H new ATOM 0 HB2 LEU A 77 5.127 18.856 -1.762 1.00 0.00 H new ATOM 0 HB3 LEU A 77 3.397 18.600 -1.878 1.00 0.00 H new ATOM 0 HG LEU A 77 4.660 20.986 -0.501 1.00 0.00 H new ATOM 0 HD11 LEU A 77 4.031 22.254 -2.517 1.00 0.00 H new ATOM 0 HD12 LEU A 77 5.225 20.985 -2.881 1.00 0.00 H new ATOM 0 HD13 LEU A 77 3.512 20.742 -3.301 1.00 0.00 H new ATOM 0 HD21 LEU A 77 2.400 21.947 -0.692 1.00 0.00 H new ATOM 0 HD22 LEU A 77 1.817 20.424 -1.404 1.00 0.00 H new ATOM 0 HD23 LEU A 77 2.402 20.454 0.276 1.00 0.00 H new ATOM 1151 N ASP A 78 5.171 16.121 -0.207 1.00 0.00 N ATOM 1152 CA ASP A 78 5.164 14.677 -0.407 1.00 0.00 C ATOM 1153 C ASP A 78 4.560 13.964 0.799 1.00 0.00 C ATOM 1154 O ASP A 78 5.095 14.031 1.906 1.00 0.00 O ATOM 1155 CB ASP A 78 6.585 14.168 -0.656 1.00 0.00 C ATOM 1156 CG ASP A 78 6.926 14.103 -2.131 1.00 0.00 C ATOM 1157 OD1 ASP A 78 6.429 13.183 -2.815 1.00 0.00 O ATOM 1158 OD2 ASP A 78 7.691 14.970 -2.603 1.00 0.00 O ATOM 0 H ASP A 78 6.102 16.533 -0.138 1.00 0.00 H new ATOM 0 HA ASP A 78 4.550 14.459 -1.281 1.00 0.00 H new ATOM 0 HB2 ASP A 78 7.296 14.821 -0.150 1.00 0.00 H new ATOM 0 HB3 ASP A 78 6.695 13.177 -0.217 1.00 0.00 H new ATOM 1163 N PHE A 79 3.441 13.282 0.577 1.00 0.00 N ATOM 1164 CA PHE A 79 2.762 12.559 1.646 1.00 0.00 C ATOM 1165 C PHE A 79 2.564 11.093 1.270 1.00 0.00 C ATOM 1166 O PHE A 79 1.555 10.482 1.621 1.00 0.00 O ATOM 1167 CB PHE A 79 1.409 13.206 1.949 1.00 0.00 C ATOM 1168 CG PHE A 79 1.522 14.570 2.567 1.00 0.00 C ATOM 1169 CD1 PHE A 79 2.259 14.762 3.724 1.00 0.00 C ATOM 1170 CD2 PHE A 79 0.892 15.661 1.990 1.00 0.00 C ATOM 1171 CE1 PHE A 79 2.365 16.016 4.295 1.00 0.00 C ATOM 1172 CE2 PHE A 79 0.993 16.918 2.557 1.00 0.00 C ATOM 1173 CZ PHE A 79 1.732 17.096 3.710 1.00 0.00 C ATOM 0 H PHE A 79 2.985 13.215 -0.333 1.00 0.00 H new ATOM 0 HA PHE A 79 3.388 12.607 2.537 1.00 0.00 H new ATOM 0 HB2 PHE A 79 0.836 13.281 1.025 1.00 0.00 H new ATOM 0 HB3 PHE A 79 0.847 12.557 2.621 1.00 0.00 H new ATOM 0 HD1 PHE A 79 2.757 13.922 4.185 1.00 0.00 H new ATOM 0 HD2 PHE A 79 0.315 15.528 1.087 1.00 0.00 H new ATOM 0 HE1 PHE A 79 2.942 16.152 5.198 1.00 0.00 H new ATOM 0 HE2 PHE A 79 0.495 17.760 2.099 1.00 0.00 H new ATOM 0 HZ PHE A 79 1.815 18.077 4.153 1.00 0.00 H new ATOM 1183 N SER A 80 3.536 10.536 0.554 1.00 0.00 N ATOM 1184 CA SER A 80 3.468 9.143 0.127 1.00 0.00 C ATOM 1185 C SER A 80 3.999 8.215 1.214 1.00 0.00 C ATOM 1186 O SER A 80 5.168 8.290 1.593 1.00 0.00 O ATOM 1187 CB SER A 80 4.265 8.945 -1.164 1.00 0.00 C ATOM 1188 OG SER A 80 4.005 9.986 -2.089 1.00 0.00 O ATOM 0 H SER A 80 4.379 11.028 0.258 1.00 0.00 H new ATOM 0 HA SER A 80 2.423 8.895 -0.058 1.00 0.00 H new ATOM 0 HB2 SER A 80 5.330 8.915 -0.936 1.00 0.00 H new ATOM 0 HB3 SER A 80 4.007 7.985 -1.611 1.00 0.00 H new ATOM 0 HG SER A 80 4.798 10.135 -2.646 1.00 0.00 H new ATOM 1194 N ILE A 81 3.132 7.340 1.712 1.00 0.00 N ATOM 1195 CA ILE A 81 3.513 6.395 2.755 1.00 0.00 C ATOM 1196 C ILE A 81 3.711 4.996 2.183 1.00 0.00 C ATOM 1197 O ILE A 81 3.304 4.710 1.057 1.00 0.00 O ATOM 1198 CB ILE A 81 2.456 6.336 3.874 1.00 0.00 C ATOM 1199 CG1 ILE A 81 1.069 6.082 3.282 1.00 0.00 C ATOM 1200 CG2 ILE A 81 2.466 7.625 4.681 1.00 0.00 C ATOM 1201 CD1 ILE A 81 0.081 5.515 4.278 1.00 0.00 C ATOM 0 H ILE A 81 2.161 7.266 1.410 1.00 0.00 H new ATOM 0 HA ILE A 81 4.455 6.750 3.174 1.00 0.00 H new ATOM 0 HB ILE A 81 2.702 5.511 4.542 1.00 0.00 H new ATOM 0 HG12 ILE A 81 0.676 7.018 2.885 1.00 0.00 H new ATOM 0 HG13 ILE A 81 1.162 5.393 2.442 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.714 7.568 5.468 1.00 0.00 H new ATOM 0 HG22 ILE A 81 3.450 7.766 5.129 1.00 0.00 H new ATOM 0 HG23 ILE A 81 2.242 8.466 4.025 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -0.881 5.360 3.789 1.00 0.00 H new ATOM 0 HD12 ILE A 81 0.452 4.563 4.657 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -0.041 6.213 5.106 1.00 0.00 H new ATOM 1213 N SER A 82 4.338 4.125 2.968 1.00 0.00 N ATOM 1214 CA SER A 82 4.593 2.755 2.540 1.00 0.00 C ATOM 1215 C SER A 82 4.332 1.773 3.678 1.00 0.00 C ATOM 1216 O SER A 82 5.122 1.671 4.617 1.00 0.00 O ATOM 1217 CB SER A 82 6.034 2.612 2.047 1.00 0.00 C ATOM 1218 OG SER A 82 6.219 3.279 0.810 1.00 0.00 O ATOM 0 H SER A 82 4.679 4.344 3.904 1.00 0.00 H new ATOM 0 HA SER A 82 3.912 2.524 1.721 1.00 0.00 H new ATOM 0 HB2 SER A 82 6.718 3.021 2.790 1.00 0.00 H new ATOM 0 HB3 SER A 82 6.280 1.556 1.935 1.00 0.00 H new ATOM 0 HG SER A 82 7.148 3.174 0.518 1.00 0.00 H new ATOM 1224 N ILE A 83 3.220 1.052 3.586 1.00 0.00 N ATOM 1225 CA ILE A 83 2.855 0.077 4.606 1.00 0.00 C ATOM 1226 C ILE A 83 3.485 -1.281 4.319 1.00 0.00 C ATOM 1227 O ILE A 83 3.142 -1.942 3.339 1.00 0.00 O ATOM 1228 CB ILE A 83 1.328 -0.089 4.706 1.00 0.00 C ATOM 1229 CG1 ILE A 83 0.651 1.278 4.833 1.00 0.00 C ATOM 1230 CG2 ILE A 83 0.967 -0.977 5.888 1.00 0.00 C ATOM 1231 CD1 ILE A 83 -0.852 1.225 4.676 1.00 0.00 C ATOM 0 H ILE A 83 2.556 1.125 2.815 1.00 0.00 H new ATOM 0 HA ILE A 83 3.233 0.457 5.555 1.00 0.00 H new ATOM 0 HB ILE A 83 0.970 -0.568 3.795 1.00 0.00 H new ATOM 0 HG12 ILE A 83 0.892 1.704 5.807 1.00 0.00 H new ATOM 0 HG13 ILE A 83 1.063 1.950 4.080 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -0.116 -1.084 5.945 1.00 0.00 H new ATOM 0 HG22 ILE A 83 1.423 -1.959 5.758 1.00 0.00 H new ATOM 0 HG23 ILE A 83 1.336 -0.525 6.809 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -1.264 2.229 4.778 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -1.101 0.828 3.692 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -1.276 0.579 5.445 1.00 0.00 H new ATOM 1243 N SER A 84 4.409 -1.694 5.182 1.00 0.00 N ATOM 1244 CA SER A 84 5.089 -2.973 5.020 1.00 0.00 C ATOM 1245 C SER A 84 4.251 -4.111 5.596 1.00 0.00 C ATOM 1246 O SER A 84 3.334 -3.883 6.383 1.00 0.00 O ATOM 1247 CB SER A 84 6.458 -2.937 5.701 1.00 0.00 C ATOM 1248 OG SER A 84 7.324 -2.018 5.058 1.00 0.00 O ATOM 0 H SER A 84 4.703 -1.161 6.000 1.00 0.00 H new ATOM 0 HA SER A 84 5.227 -3.150 3.953 1.00 0.00 H new ATOM 0 HB2 SER A 84 6.339 -2.658 6.748 1.00 0.00 H new ATOM 0 HB3 SER A 84 6.902 -3.932 5.685 1.00 0.00 H new ATOM 0 HG SER A 84 8.192 -2.013 5.513 1.00 0.00 H new ATOM 1254 N ASN A 85 4.574 -5.337 5.197 1.00 0.00 N ATOM 1255 CA ASN A 85 3.852 -6.511 5.672 1.00 0.00 C ATOM 1256 C ASN A 85 2.377 -6.435 5.288 1.00 0.00 C ATOM 1257 O ASN A 85 1.496 -6.617 6.128 1.00 0.00 O ATOM 1258 CB ASN A 85 3.989 -6.639 7.191 1.00 0.00 C ATOM 1259 CG ASN A 85 3.337 -7.900 7.725 1.00 0.00 C ATOM 1260 OD1 ASN A 85 2.293 -7.845 8.375 1.00 0.00 O ATOM 1261 ND2 ASN A 85 3.953 -9.045 7.453 1.00 0.00 N ATOM 0 H ASN A 85 5.331 -5.543 4.546 1.00 0.00 H new ATOM 0 HA ASN A 85 4.287 -7.391 5.199 1.00 0.00 H new ATOM 0 HB2 ASN A 85 5.045 -6.638 7.459 1.00 0.00 H new ATOM 0 HB3 ASN A 85 3.538 -5.769 7.669 1.00 0.00 H new ATOM 0 HD21 ASN A 85 3.562 -9.926 7.787 1.00 0.00 H new ATOM 0 HD22 ASN A 85 4.817 -9.043 6.910 1.00 0.00 H new ATOM 1268 N ILE A 86 2.117 -6.165 4.013 1.00 0.00 N ATOM 1269 CA ILE A 86 0.750 -6.066 3.517 1.00 0.00 C ATOM 1270 C ILE A 86 -0.013 -7.367 3.746 1.00 0.00 C ATOM 1271 O ILE A 86 0.553 -8.457 3.651 1.00 0.00 O ATOM 1272 CB ILE A 86 0.719 -5.723 2.016 1.00 0.00 C ATOM 1273 CG1 ILE A 86 1.076 -4.252 1.799 1.00 0.00 C ATOM 1274 CG2 ILE A 86 -0.651 -6.034 1.430 1.00 0.00 C ATOM 1275 CD1 ILE A 86 0.020 -3.293 2.302 1.00 0.00 C ATOM 0 H ILE A 86 2.835 -6.011 3.305 1.00 0.00 H new ATOM 0 HA ILE A 86 0.269 -5.262 4.075 1.00 0.00 H new ATOM 0 HB ILE A 86 1.460 -6.336 1.503 1.00 0.00 H new ATOM 0 HG12 ILE A 86 2.019 -4.037 2.302 1.00 0.00 H new ATOM 0 HG13 ILE A 86 1.235 -4.078 0.735 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -0.657 -5.786 0.369 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -0.869 -7.095 1.557 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -1.409 -5.444 1.945 1.00 0.00 H new ATOM 0 HD11 ILE A 86 0.340 -2.268 2.115 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -0.919 -3.480 1.781 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.123 -3.439 3.373 1.00 0.00 H new ATOM 1287 N THR A 87 -1.302 -7.246 4.047 1.00 0.00 N ATOM 1288 CA THR A 87 -2.143 -8.411 4.289 1.00 0.00 C ATOM 1289 C THR A 87 -3.385 -8.385 3.405 1.00 0.00 C ATOM 1290 O THR A 87 -3.856 -7.328 2.985 1.00 0.00 O ATOM 1291 CB THR A 87 -2.579 -8.493 5.764 1.00 0.00 C ATOM 1292 OG1 THR A 87 -3.183 -7.258 6.166 1.00 0.00 O ATOM 1293 CG2 THR A 87 -1.390 -8.798 6.663 1.00 0.00 C ATOM 0 H THR A 87 -1.786 -6.352 4.129 1.00 0.00 H new ATOM 0 HA THR A 87 -1.544 -9.289 4.046 1.00 0.00 H new ATOM 0 HB THR A 87 -3.305 -9.300 5.861 1.00 0.00 H new ATOM 0 HG1 THR A 87 -3.459 -7.319 7.104 1.00 0.00 H new ATOM 0 HG21 THR A 87 -1.722 -8.851 7.700 1.00 0.00 H new ATOM 0 HG22 THR A 87 -0.950 -9.752 6.373 1.00 0.00 H new ATOM 0 HG23 THR A 87 -0.645 -8.009 6.561 1.00 0.00 H new ATOM 1301 N PRO A 88 -3.930 -9.576 3.114 1.00 0.00 N ATOM 1302 CA PRO A 88 -5.126 -9.716 2.277 1.00 0.00 C ATOM 1303 C PRO A 88 -6.382 -9.201 2.971 1.00 0.00 C ATOM 1304 O PRO A 88 -7.462 -9.178 2.382 1.00 0.00 O ATOM 1305 CB PRO A 88 -5.223 -11.227 2.048 1.00 0.00 C ATOM 1306 CG PRO A 88 -4.523 -11.833 3.215 1.00 0.00 C ATOM 1307 CD PRO A 88 -3.421 -10.877 3.579 1.00 0.00 C ATOM 0 HA PRO A 88 -5.051 -9.135 1.358 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -6.262 -11.554 1.996 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -4.751 -11.516 1.109 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -5.208 -11.975 4.051 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -4.121 -12.814 2.962 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -3.230 -10.874 4.652 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -2.483 -11.140 3.090 1.00 0.00 H new ATOM 1315 N ALA A 89 -6.233 -8.788 4.225 1.00 0.00 N ATOM 1316 CA ALA A 89 -7.355 -8.271 4.998 1.00 0.00 C ATOM 1317 C ALA A 89 -7.318 -6.748 5.067 1.00 0.00 C ATOM 1318 O ALA A 89 -8.220 -6.120 5.622 1.00 0.00 O ATOM 1319 CB ALA A 89 -7.350 -8.865 6.399 1.00 0.00 C ATOM 0 H ALA A 89 -5.345 -8.801 4.728 1.00 0.00 H new ATOM 0 HA ALA A 89 -8.276 -8.564 4.495 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -8.194 -8.470 6.965 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -7.433 -9.950 6.334 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -6.420 -8.601 6.903 1.00 0.00 H new ATOM 1325 N ASP A 90 -6.269 -6.160 4.502 1.00 0.00 N ATOM 1326 CA ASP A 90 -6.115 -4.710 4.500 1.00 0.00 C ATOM 1327 C ASP A 90 -6.539 -4.120 3.158 1.00 0.00 C ATOM 1328 O ASP A 90 -6.734 -2.912 3.034 1.00 0.00 O ATOM 1329 CB ASP A 90 -4.665 -4.329 4.802 1.00 0.00 C ATOM 1330 CG ASP A 90 -4.411 -4.150 6.286 1.00 0.00 C ATOM 1331 OD1 ASP A 90 -4.854 -5.013 7.072 1.00 0.00 O ATOM 1332 OD2 ASP A 90 -3.769 -3.146 6.662 1.00 0.00 O ATOM 0 H ASP A 90 -5.513 -6.665 4.040 1.00 0.00 H new ATOM 0 HA ASP A 90 -6.760 -4.300 5.277 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -4.001 -5.101 4.413 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -4.419 -3.404 4.280 1.00 0.00 H new ATOM 1337 N ALA A 91 -6.680 -4.983 2.157 1.00 0.00 N ATOM 1338 CA ALA A 91 -7.082 -4.548 0.825 1.00 0.00 C ATOM 1339 C ALA A 91 -8.320 -3.659 0.888 1.00 0.00 C ATOM 1340 O ALA A 91 -8.952 -3.532 1.936 1.00 0.00 O ATOM 1341 CB ALA A 91 -7.339 -5.752 -0.068 1.00 0.00 C ATOM 0 H ALA A 91 -6.522 -5.987 2.243 1.00 0.00 H new ATOM 0 HA ALA A 91 -6.267 -3.962 0.400 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -7.638 -5.412 -1.059 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -6.429 -6.347 -0.148 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -8.134 -6.361 0.362 1.00 0.00 H new ATOM 1347 N GLY A 92 -8.660 -3.045 -0.241 1.00 0.00 N ATOM 1348 CA GLY A 92 -9.821 -2.176 -0.292 1.00 0.00 C ATOM 1349 C GLY A 92 -9.554 -0.896 -1.060 1.00 0.00 C ATOM 1350 O GLY A 92 -9.374 -0.919 -2.278 1.00 0.00 O ATOM 0 H GLY A 92 -8.152 -3.134 -1.121 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -10.650 -2.709 -0.758 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -10.131 -1.929 0.723 1.00 0.00 H new ATOM 1354 N THR A 93 -9.528 0.225 -0.347 1.00 0.00 N ATOM 1355 CA THR A 93 -9.284 1.521 -0.968 1.00 0.00 C ATOM 1356 C THR A 93 -8.846 2.553 0.065 1.00 0.00 C ATOM 1357 O THR A 93 -9.604 2.896 0.973 1.00 0.00 O ATOM 1358 CB THR A 93 -10.539 2.040 -1.696 1.00 0.00 C ATOM 1359 OG1 THR A 93 -11.200 0.960 -2.364 1.00 0.00 O ATOM 1360 CG2 THR A 93 -10.172 3.119 -2.704 1.00 0.00 C ATOM 0 H THR A 93 -9.673 0.262 0.662 1.00 0.00 H new ATOM 0 HA THR A 93 -8.484 1.377 -1.695 1.00 0.00 H new ATOM 0 HB THR A 93 -11.210 2.472 -0.954 1.00 0.00 H new ATOM 0 HG1 THR A 93 -10.534 0.315 -2.681 1.00 0.00 H new ATOM 0 HG21 THR A 93 -11.074 3.470 -3.206 1.00 0.00 H new ATOM 0 HG22 THR A 93 -9.696 3.953 -2.188 1.00 0.00 H new ATOM 0 HG23 THR A 93 -9.483 2.708 -3.442 1.00 0.00 H new ATOM 1368 N TYR A 94 -7.620 3.043 -0.079 1.00 0.00 N ATOM 1369 CA TYR A 94 -7.081 4.036 0.843 1.00 0.00 C ATOM 1370 C TYR A 94 -7.286 5.448 0.305 1.00 0.00 C ATOM 1371 O TYR A 94 -6.733 5.816 -0.732 1.00 0.00 O ATOM 1372 CB TYR A 94 -5.592 3.781 1.086 1.00 0.00 C ATOM 1373 CG TYR A 94 -5.301 2.429 1.696 1.00 0.00 C ATOM 1374 CD1 TYR A 94 -5.679 1.258 1.051 1.00 0.00 C ATOM 1375 CD2 TYR A 94 -4.648 2.322 2.918 1.00 0.00 C ATOM 1376 CE1 TYR A 94 -5.415 0.020 1.605 1.00 0.00 C ATOM 1377 CE2 TYR A 94 -4.379 1.089 3.479 1.00 0.00 C ATOM 1378 CZ TYR A 94 -4.765 -0.059 2.819 1.00 0.00 C ATOM 1379 OH TYR A 94 -4.500 -1.290 3.375 1.00 0.00 O ATOM 0 H TYR A 94 -6.981 2.769 -0.825 1.00 0.00 H new ATOM 0 HA TYR A 94 -7.617 3.946 1.788 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -5.058 3.866 0.139 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -5.201 4.558 1.743 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -6.188 1.316 0.100 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -4.346 3.219 3.438 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -5.716 -0.881 1.090 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -3.869 1.024 4.429 1.00 0.00 H new ATOM 0 HH TYR A 94 -5.273 -1.879 3.250 1.00 0.00 H new ATOM 1389 N TYR A 95 -8.084 6.236 1.018 1.00 0.00 N ATOM 1390 CA TYR A 95 -8.364 7.608 0.612 1.00 0.00 C ATOM 1391 C TYR A 95 -7.529 8.596 1.420 1.00 0.00 C ATOM 1392 O TYR A 95 -7.731 8.761 2.623 1.00 0.00 O ATOM 1393 CB TYR A 95 -9.852 7.919 0.786 1.00 0.00 C ATOM 1394 CG TYR A 95 -10.762 6.933 0.090 1.00 0.00 C ATOM 1395 CD1 TYR A 95 -11.148 5.753 0.714 1.00 0.00 C ATOM 1396 CD2 TYR A 95 -11.238 7.181 -1.192 1.00 0.00 C ATOM 1397 CE1 TYR A 95 -11.979 4.849 0.082 1.00 0.00 C ATOM 1398 CE2 TYR A 95 -12.070 6.283 -1.831 1.00 0.00 C ATOM 1399 CZ TYR A 95 -12.438 5.118 -1.191 1.00 0.00 C ATOM 1400 OH TYR A 95 -13.267 4.221 -1.823 1.00 0.00 O ATOM 0 H TYR A 95 -8.548 5.948 1.879 1.00 0.00 H new ATOM 0 HA TYR A 95 -8.098 7.711 -0.440 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -10.090 7.932 1.850 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -10.053 8.919 0.402 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -10.792 5.539 1.711 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -10.952 8.092 -1.697 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -12.268 3.936 0.582 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -12.431 6.492 -2.827 1.00 0.00 H new ATOM 0 HH TYR A 95 -13.500 4.561 -2.712 1.00 0.00 H new ATOM 1410 N CYS A 96 -6.588 9.253 0.748 1.00 0.00 N ATOM 1411 CA CYS A 96 -5.720 10.226 1.401 1.00 0.00 C ATOM 1412 C CYS A 96 -6.521 11.432 1.882 1.00 0.00 C ATOM 1413 O CYS A 96 -6.819 12.342 1.109 1.00 0.00 O ATOM 1414 CB CYS A 96 -4.618 10.681 0.442 1.00 0.00 C ATOM 1415 SG CYS A 96 -3.061 11.143 1.265 1.00 0.00 S ATOM 0 H CYS A 96 -6.408 9.129 -0.248 1.00 0.00 H new ATOM 0 HA CYS A 96 -5.264 9.746 2.267 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -4.417 9.880 -0.269 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -4.980 11.534 -0.132 1.00 0.00 H new ATOM 1420 N VAL A 97 -6.866 11.432 3.166 1.00 0.00 N ATOM 1421 CA VAL A 97 -7.631 12.526 3.752 1.00 0.00 C ATOM 1422 C VAL A 97 -6.714 13.658 4.202 1.00 0.00 C ATOM 1423 O VAL A 97 -5.787 13.447 4.984 1.00 0.00 O ATOM 1424 CB VAL A 97 -8.465 12.047 4.955 1.00 0.00 C ATOM 1425 CG1 VAL A 97 -9.235 13.207 5.568 1.00 0.00 C ATOM 1426 CG2 VAL A 97 -9.410 10.931 4.537 1.00 0.00 C ATOM 0 H VAL A 97 -6.628 10.686 3.820 1.00 0.00 H new ATOM 0 HA VAL A 97 -8.303 12.893 2.977 1.00 0.00 H new ATOM 0 HB VAL A 97 -7.786 11.653 5.711 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -9.818 12.849 6.416 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -8.534 13.971 5.906 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -9.905 13.634 4.822 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -9.991 10.605 5.399 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -10.084 11.296 3.762 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -8.833 10.091 4.150 1.00 0.00 H new ATOM 1436 N LYS A 98 -6.980 14.861 3.704 1.00 0.00 N ATOM 1437 CA LYS A 98 -6.181 16.029 4.055 1.00 0.00 C ATOM 1438 C LYS A 98 -6.874 16.858 5.131 1.00 0.00 C ATOM 1439 O LYS A 98 -7.658 17.758 4.826 1.00 0.00 O ATOM 1440 CB LYS A 98 -5.927 16.890 2.816 1.00 0.00 C ATOM 1441 CG LYS A 98 -5.332 18.251 3.132 1.00 0.00 C ATOM 1442 CD LYS A 98 -3.904 18.132 3.636 1.00 0.00 C ATOM 1443 CE LYS A 98 -3.468 19.386 4.378 1.00 0.00 C ATOM 1444 NZ LYS A 98 -2.005 19.632 4.241 1.00 0.00 N ATOM 0 H LYS A 98 -7.744 15.053 3.055 1.00 0.00 H new ATOM 0 HA LYS A 98 -5.226 15.681 4.449 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -5.255 16.356 2.145 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -6.867 17.029 2.282 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -5.352 18.874 2.238 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -5.943 18.751 3.883 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -3.821 17.269 4.297 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -3.234 17.954 2.795 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -4.018 20.245 3.994 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -3.723 19.290 5.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -1.555 19.579 5.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -1.589 18.912 3.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -1.848 20.576 3.834 1.00 0.00 H new ATOM 1458 N PHE A 99 -6.578 16.552 6.390 1.00 0.00 N ATOM 1459 CA PHE A 99 -7.173 17.270 7.511 1.00 0.00 C ATOM 1460 C PHE A 99 -6.713 18.725 7.530 1.00 0.00 C ATOM 1461 O PHE A 99 -5.572 19.031 7.184 1.00 0.00 O ATOM 1462 CB PHE A 99 -6.806 16.590 8.832 1.00 0.00 C ATOM 1463 CG PHE A 99 -7.795 15.545 9.263 1.00 0.00 C ATOM 1464 CD1 PHE A 99 -7.903 14.348 8.573 1.00 0.00 C ATOM 1465 CD2 PHE A 99 -8.617 15.760 10.357 1.00 0.00 C ATOM 1466 CE1 PHE A 99 -8.812 13.384 8.968 1.00 0.00 C ATOM 1467 CE2 PHE A 99 -9.528 14.800 10.756 1.00 0.00 C ATOM 1468 CZ PHE A 99 -9.626 13.611 10.060 1.00 0.00 C ATOM 0 H PHE A 99 -5.930 15.812 6.659 1.00 0.00 H new ATOM 0 HA PHE A 99 -8.256 17.251 7.389 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -5.823 16.130 8.734 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -6.727 17.348 9.612 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -7.270 14.166 7.717 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -8.545 16.688 10.904 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -8.885 12.454 8.423 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -10.163 14.979 11.611 1.00 0.00 H new ATOM 0 HZ PHE A 99 -10.338 12.860 10.369 1.00 0.00 H new ATOM 1478 N ARG A 100 -7.610 19.617 7.937 1.00 0.00 N ATOM 1479 CA ARG A 100 -7.298 21.040 8.000 1.00 0.00 C ATOM 1480 C ARG A 100 -7.185 21.509 9.448 1.00 0.00 C ATOM 1481 O ARG A 100 -7.983 21.121 10.301 1.00 0.00 O ATOM 1482 CB ARG A 100 -8.371 21.852 7.272 1.00 0.00 C ATOM 1483 CG ARG A 100 -9.613 22.108 8.109 1.00 0.00 C ATOM 1484 CD ARG A 100 -10.721 22.742 7.283 1.00 0.00 C ATOM 1485 NE ARG A 100 -11.894 23.062 8.093 1.00 0.00 N ATOM 1486 CZ ARG A 100 -12.839 23.914 7.713 1.00 0.00 C ATOM 1487 NH1 ARG A 100 -12.751 24.528 6.542 1.00 0.00 N ATOM 1488 NH2 ARG A 100 -13.876 24.153 8.506 1.00 0.00 N ATOM 0 H ARG A 100 -8.558 19.380 8.228 1.00 0.00 H new ATOM 0 HA ARG A 100 -6.337 21.197 7.509 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -7.946 22.808 6.966 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -8.659 21.325 6.362 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -9.967 21.169 8.534 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -9.362 22.761 8.945 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -10.347 23.651 6.812 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -11.009 22.063 6.481 1.00 0.00 H new ATOM 0 HE ARG A 100 -11.992 22.606 9.000 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -11.956 24.347 5.930 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -13.479 25.182 6.253 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -13.947 23.682 9.408 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -14.602 24.808 8.213 1.00 0.00 H new ATOM 1502 N LYS A 101 -6.187 22.344 9.718 1.00 0.00 N ATOM 1503 CA LYS A 101 -5.969 22.866 11.061 1.00 0.00 C ATOM 1504 C LYS A 101 -7.237 23.517 11.605 1.00 0.00 C ATOM 1505 O LYS A 101 -7.756 24.469 11.024 1.00 0.00 O ATOM 1506 CB LYS A 101 -4.824 23.882 11.055 1.00 0.00 C ATOM 1507 CG LYS A 101 -4.120 24.013 12.395 1.00 0.00 C ATOM 1508 CD LYS A 101 -3.465 25.375 12.551 1.00 0.00 C ATOM 1509 CE LYS A 101 -2.030 25.364 12.048 1.00 0.00 C ATOM 1510 NZ LYS A 101 -1.164 24.464 12.859 1.00 0.00 N ATOM 0 H LYS A 101 -5.516 22.673 9.024 1.00 0.00 H new ATOM 0 HA LYS A 101 -5.704 22.031 11.710 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -4.095 23.591 10.298 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -5.216 24.856 10.763 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -4.838 23.859 13.201 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -3.365 23.232 12.488 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -4.039 26.121 12.001 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -3.482 25.670 13.600 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -2.013 25.043 11.007 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -1.628 26.377 12.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -0.183 24.808 12.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -1.499 24.454 13.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -1.204 23.500 12.470 1.00 0.00 H new ATOM 1524 N GLY A 102 -7.730 22.996 12.725 1.00 0.00 N ATOM 1525 CA GLY A 102 -8.932 23.540 13.329 1.00 0.00 C ATOM 1526 C GLY A 102 -8.987 23.304 14.825 1.00 0.00 C ATOM 1527 O GLY A 102 -8.095 22.675 15.394 1.00 0.00 O ATOM 0 H GLY A 102 -7.318 22.207 13.224 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -8.982 24.611 13.131 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -9.807 23.088 12.861 1.00 0.00 H new ATOM 1531 N SER A 103 -10.036 23.812 15.464 1.00 0.00 N ATOM 1532 CA SER A 103 -10.201 23.658 16.905 1.00 0.00 C ATOM 1533 C SER A 103 -11.559 23.045 17.234 1.00 0.00 C ATOM 1534 O SER A 103 -12.542 23.228 16.515 1.00 0.00 O ATOM 1535 CB SER A 103 -10.056 25.011 17.604 1.00 0.00 C ATOM 1536 OG SER A 103 -11.104 25.891 17.233 1.00 0.00 O ATOM 0 H SER A 103 -10.784 24.334 15.007 1.00 0.00 H new ATOM 0 HA SER A 103 -9.422 22.986 17.265 1.00 0.00 H new ATOM 0 HB2 SER A 103 -10.062 24.868 18.685 1.00 0.00 H new ATOM 0 HB3 SER A 103 -9.095 25.456 17.347 1.00 0.00 H new ATOM 0 HG SER A 103 -10.990 26.748 17.694 1.00 0.00 H new ATOM 1542 N PRO A 104 -11.617 22.300 18.348 1.00 0.00 N ATOM 1543 CA PRO A 104 -10.454 22.075 19.211 1.00 0.00 C ATOM 1544 C PRO A 104 -9.406 21.184 18.552 1.00 0.00 C ATOM 1545 O PRO A 104 -8.367 20.890 19.143 1.00 0.00 O ATOM 1546 CB PRO A 104 -11.051 21.380 20.437 1.00 0.00 C ATOM 1547 CG PRO A 104 -12.290 20.724 19.934 1.00 0.00 C ATOM 1548 CD PRO A 104 -12.822 21.619 18.850 1.00 0.00 C ATOM 0 HA PRO A 104 -9.933 23.004 19.442 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -10.358 20.650 20.855 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -11.275 22.096 21.228 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -12.075 19.728 19.547 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -13.020 20.604 20.734 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -13.318 21.048 18.065 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -13.553 22.329 19.238 1.00 0.00 H new ATOM 1556 N ASP A 105 -9.686 20.759 17.325 1.00 0.00 N ATOM 1557 CA ASP A 105 -8.767 19.902 16.584 1.00 0.00 C ATOM 1558 C ASP A 105 -8.982 20.045 15.081 1.00 0.00 C ATOM 1559 O ASP A 105 -9.908 20.726 14.638 1.00 0.00 O ATOM 1560 CB ASP A 105 -8.948 18.442 17.001 1.00 0.00 C ATOM 1561 CG ASP A 105 -8.227 18.115 18.294 1.00 0.00 C ATOM 1562 OD1 ASP A 105 -7.183 18.745 18.567 1.00 0.00 O ATOM 1563 OD2 ASP A 105 -8.707 17.231 19.034 1.00 0.00 O ATOM 0 H ASP A 105 -10.542 20.994 16.822 1.00 0.00 H new ATOM 0 HA ASP A 105 -7.750 20.215 16.818 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -10.011 18.230 17.117 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -8.578 17.792 16.208 1.00 0.00 H new ATOM 1568 N ASP A 106 -8.121 19.401 14.301 1.00 0.00 N ATOM 1569 CA ASP A 106 -8.218 19.456 12.847 1.00 0.00 C ATOM 1570 C ASP A 106 -9.626 19.100 12.381 1.00 0.00 C ATOM 1571 O ASP A 106 -10.496 18.778 13.191 1.00 0.00 O ATOM 1572 CB ASP A 106 -7.201 18.507 12.211 1.00 0.00 C ATOM 1573 CG ASP A 106 -7.174 17.150 12.887 1.00 0.00 C ATOM 1574 OD1 ASP A 106 -8.236 16.708 13.373 1.00 0.00 O ATOM 1575 OD2 ASP A 106 -6.091 16.530 12.929 1.00 0.00 O ATOM 0 H ASP A 106 -7.348 18.835 14.651 1.00 0.00 H new ATOM 0 HA ASP A 106 -7.999 20.476 12.532 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -7.439 18.379 11.155 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -6.209 18.955 12.262 1.00 0.00 H new ATOM 1580 N VAL A 107 -9.844 19.161 11.071 1.00 0.00 N ATOM 1581 CA VAL A 107 -11.147 18.845 10.498 1.00 0.00 C ATOM 1582 C VAL A 107 -11.015 18.404 9.044 1.00 0.00 C ATOM 1583 O VAL A 107 -10.272 19.005 8.269 1.00 0.00 O ATOM 1584 CB VAL A 107 -12.101 20.051 10.572 1.00 0.00 C ATOM 1585 CG1 VAL A 107 -13.413 19.739 9.869 1.00 0.00 C ATOM 1586 CG2 VAL A 107 -12.344 20.449 12.020 1.00 0.00 C ATOM 0 H VAL A 107 -9.135 19.426 10.387 1.00 0.00 H new ATOM 0 HA VAL A 107 -11.562 18.027 11.087 1.00 0.00 H new ATOM 0 HB VAL A 107 -11.635 20.893 10.061 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -14.074 20.603 9.932 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -13.218 19.507 8.822 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -13.888 18.883 10.348 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -13.020 21.303 12.054 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -12.789 19.612 12.558 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -11.397 20.718 12.487 1.00 0.00 H new ATOM 1596 N GLU A 108 -11.741 17.351 8.683 1.00 0.00 N ATOM 1597 CA GLU A 108 -11.704 16.830 7.321 1.00 0.00 C ATOM 1598 C GLU A 108 -12.017 17.928 6.309 1.00 0.00 C ATOM 1599 O GLU A 108 -13.047 18.596 6.400 1.00 0.00 O ATOM 1600 CB GLU A 108 -12.700 15.678 7.165 1.00 0.00 C ATOM 1601 CG GLU A 108 -12.717 15.073 5.772 1.00 0.00 C ATOM 1602 CD GLU A 108 -14.064 14.478 5.410 1.00 0.00 C ATOM 1603 OE1 GLU A 108 -15.094 15.123 5.697 1.00 0.00 O ATOM 1604 OE2 GLU A 108 -14.087 13.368 4.838 1.00 0.00 O ATOM 0 H GLU A 108 -12.361 16.842 9.313 1.00 0.00 H new ATOM 0 HA GLU A 108 -10.697 16.459 7.128 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -12.457 14.899 7.887 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -13.700 16.038 7.408 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -12.456 15.841 5.044 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -11.953 14.299 5.707 1.00 0.00 H new ATOM 1611 N PHE A 109 -11.120 18.110 5.346 1.00 0.00 N ATOM 1612 CA PHE A 109 -11.298 19.128 4.318 1.00 0.00 C ATOM 1613 C PHE A 109 -11.397 18.493 2.934 1.00 0.00 C ATOM 1614 O PHE A 109 -12.391 18.663 2.229 1.00 0.00 O ATOM 1615 CB PHE A 109 -10.138 20.126 4.351 1.00 0.00 C ATOM 1616 CG PHE A 109 -10.141 21.088 3.198 1.00 0.00 C ATOM 1617 CD1 PHE A 109 -11.001 22.175 3.187 1.00 0.00 C ATOM 1618 CD2 PHE A 109 -9.285 20.905 2.124 1.00 0.00 C ATOM 1619 CE1 PHE A 109 -11.006 23.061 2.126 1.00 0.00 C ATOM 1620 CE2 PHE A 109 -9.285 21.788 1.061 1.00 0.00 C ATOM 1621 CZ PHE A 109 -10.146 22.868 1.062 1.00 0.00 C ATOM 0 H PHE A 109 -10.262 17.565 5.256 1.00 0.00 H new ATOM 0 HA PHE A 109 -12.229 19.656 4.524 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -10.180 20.689 5.283 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -9.197 19.577 4.353 1.00 0.00 H new ATOM 0 HD1 PHE A 109 -11.675 22.331 4.017 1.00 0.00 H new ATOM 0 HD2 PHE A 109 -8.610 20.062 2.118 1.00 0.00 H new ATOM 0 HE1 PHE A 109 -11.682 23.904 2.129 1.00 0.00 H new ATOM 0 HE2 PHE A 109 -8.612 21.634 0.230 1.00 0.00 H new ATOM 0 HZ PHE A 109 -10.147 23.560 0.233 1.00 0.00 H new ATOM 1631 N LYS A 110 -10.357 17.759 2.551 1.00 0.00 N ATOM 1632 CA LYS A 110 -10.324 17.096 1.253 1.00 0.00 C ATOM 1633 C LYS A 110 -10.202 15.584 1.417 1.00 0.00 C ATOM 1634 O LYS A 110 -9.905 15.091 2.505 1.00 0.00 O ATOM 1635 CB LYS A 110 -9.157 17.625 0.417 1.00 0.00 C ATOM 1636 CG LYS A 110 -9.460 17.703 -1.070 1.00 0.00 C ATOM 1637 CD LYS A 110 -9.992 19.072 -1.459 1.00 0.00 C ATOM 1638 CE LYS A 110 -11.340 19.352 -0.811 1.00 0.00 C ATOM 1639 NZ LYS A 110 -12.119 20.369 -1.569 1.00 0.00 N ATOM 0 H LYS A 110 -9.525 17.609 3.122 1.00 0.00 H new ATOM 0 HA LYS A 110 -11.260 17.313 0.738 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -8.884 18.617 0.776 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -8.291 16.981 0.569 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -8.555 17.488 -1.638 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -10.191 16.939 -1.334 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -9.278 19.839 -1.161 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -10.089 19.131 -2.543 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -11.913 18.427 -0.750 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -11.187 19.699 0.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -13.031 20.532 -1.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -11.584 21.260 -1.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -12.288 20.027 -2.537 1.00 0.00 H new ATOM 1653 N SER A 111 -10.432 14.855 0.330 1.00 0.00 N ATOM 1654 CA SER A 111 -10.350 13.400 0.354 1.00 0.00 C ATOM 1655 C SER A 111 -9.776 12.866 -0.955 1.00 0.00 C ATOM 1656 O SER A 111 -10.280 13.169 -2.036 1.00 0.00 O ATOM 1657 CB SER A 111 -11.732 12.794 0.603 1.00 0.00 C ATOM 1658 OG SER A 111 -11.663 11.380 0.683 1.00 0.00 O ATOM 0 H SER A 111 -10.677 15.249 -0.579 1.00 0.00 H new ATOM 0 HA SER A 111 -9.683 13.112 1.167 1.00 0.00 H new ATOM 0 HB2 SER A 111 -12.146 13.194 1.529 1.00 0.00 H new ATOM 0 HB3 SER A 111 -12.409 13.083 -0.201 1.00 0.00 H new ATOM 0 HG SER A 111 -12.559 11.017 0.844 1.00 0.00 H new ATOM 1664 N GLY A 112 -8.718 12.068 -0.849 1.00 0.00 N ATOM 1665 CA GLY A 112 -8.092 11.505 -2.030 1.00 0.00 C ATOM 1666 C GLY A 112 -9.031 10.607 -2.812 1.00 0.00 C ATOM 1667 O GLY A 112 -9.880 9.931 -2.231 1.00 0.00 O ATOM 0 H GLY A 112 -8.283 11.802 0.034 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -7.746 12.313 -2.675 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -7.211 10.935 -1.734 1.00 0.00 H new ATOM 1671 N ALA A 113 -8.879 10.601 -4.132 1.00 0.00 N ATOM 1672 CA ALA A 113 -9.720 9.780 -4.994 1.00 0.00 C ATOM 1673 C ALA A 113 -9.919 8.388 -4.402 1.00 0.00 C ATOM 1674 O ALA A 113 -10.983 7.788 -4.546 1.00 0.00 O ATOM 1675 CB ALA A 113 -9.114 9.682 -6.385 1.00 0.00 C ATOM 0 H ALA A 113 -8.181 11.156 -4.628 1.00 0.00 H new ATOM 0 HA ALA A 113 -10.697 10.258 -5.069 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -9.753 9.066 -7.018 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -9.030 10.679 -6.816 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -8.124 9.230 -6.320 1.00 0.00 H new ATOM 1681 N GLY A 114 -8.886 7.880 -3.736 1.00 0.00 N ATOM 1682 CA GLY A 114 -8.968 6.562 -3.134 1.00 0.00 C ATOM 1683 C GLY A 114 -8.139 5.533 -3.876 1.00 0.00 C ATOM 1684 O GLY A 114 -8.558 5.016 -4.912 1.00 0.00 O ATOM 0 H GLY A 114 -7.995 8.357 -3.603 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -8.631 6.617 -2.099 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -10.009 6.239 -3.114 1.00 0.00 H new ATOM 1688 N THR A 115 -6.956 5.234 -3.347 1.00 0.00 N ATOM 1689 CA THR A 115 -6.065 4.262 -3.967 1.00 0.00 C ATOM 1690 C THR A 115 -6.494 2.836 -3.641 1.00 0.00 C ATOM 1691 O THR A 115 -6.445 2.413 -2.487 1.00 0.00 O ATOM 1692 CB THR A 115 -4.608 4.465 -3.510 1.00 0.00 C ATOM 1693 OG1 THR A 115 -4.163 5.780 -3.861 1.00 0.00 O ATOM 1694 CG2 THR A 115 -3.693 3.429 -4.145 1.00 0.00 C ATOM 0 H THR A 115 -6.593 5.652 -2.490 1.00 0.00 H new ATOM 0 HA THR A 115 -6.126 4.419 -5.044 1.00 0.00 H new ATOM 0 HB THR A 115 -4.570 4.346 -2.427 1.00 0.00 H new ATOM 0 HG1 THR A 115 -3.869 5.787 -4.796 1.00 0.00 H new ATOM 0 HG21 THR A 115 -2.669 3.592 -3.808 1.00 0.00 H new ATOM 0 HG22 THR A 115 -4.017 2.430 -3.853 1.00 0.00 H new ATOM 0 HG23 THR A 115 -3.737 3.522 -5.230 1.00 0.00 H new ATOM 1702 N GLU A 116 -6.912 2.100 -4.666 1.00 0.00 N ATOM 1703 CA GLU A 116 -7.350 0.721 -4.486 1.00 0.00 C ATOM 1704 C GLU A 116 -6.155 -0.208 -4.292 1.00 0.00 C ATOM 1705 O GLU A 116 -5.243 -0.247 -5.119 1.00 0.00 O ATOM 1706 CB GLU A 116 -8.175 0.263 -5.691 1.00 0.00 C ATOM 1707 CG GLU A 116 -8.639 -1.181 -5.598 1.00 0.00 C ATOM 1708 CD GLU A 116 -9.298 -1.665 -6.874 1.00 0.00 C ATOM 1709 OE1 GLU A 116 -8.621 -1.680 -7.923 1.00 0.00 O ATOM 1710 OE2 GLU A 116 -10.492 -2.030 -6.824 1.00 0.00 O ATOM 0 H GLU A 116 -6.957 2.435 -5.628 1.00 0.00 H new ATOM 0 HA GLU A 116 -7.971 0.678 -3.592 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -9.046 0.910 -5.791 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -7.580 0.387 -6.596 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -7.785 -1.819 -5.370 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -9.341 -1.280 -4.770 1.00 0.00 H new ATOM 1717 N LEU A 117 -6.166 -0.955 -3.193 1.00 0.00 N ATOM 1718 CA LEU A 117 -5.083 -1.884 -2.888 1.00 0.00 C ATOM 1719 C LEU A 117 -5.418 -3.289 -3.378 1.00 0.00 C ATOM 1720 O LEU A 117 -6.498 -3.812 -3.105 1.00 0.00 O ATOM 1721 CB LEU A 117 -4.813 -1.907 -1.383 1.00 0.00 C ATOM 1722 CG LEU A 117 -3.671 -2.812 -0.920 1.00 0.00 C ATOM 1723 CD1 LEU A 117 -2.339 -2.304 -1.449 1.00 0.00 C ATOM 1724 CD2 LEU A 117 -3.644 -2.902 0.599 1.00 0.00 C ATOM 0 H LEU A 117 -6.913 -0.935 -2.498 1.00 0.00 H new ATOM 0 HA LEU A 117 -4.187 -1.542 -3.406 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -4.598 -0.889 -1.057 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -5.726 -2.219 -0.875 1.00 0.00 H new ATOM 0 HG LEU A 117 -3.840 -3.812 -1.321 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -1.538 -2.961 -1.109 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -2.361 -2.292 -2.539 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -2.162 -1.294 -1.079 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -2.825 -3.550 0.911 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -3.500 -1.907 1.020 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -4.588 -3.313 0.956 1.00 0.00 H new ATOM 1736 N SER A 118 -4.482 -3.896 -4.102 1.00 0.00 N ATOM 1737 CA SER A 118 -4.678 -5.241 -4.631 1.00 0.00 C ATOM 1738 C SER A 118 -3.661 -6.211 -4.039 1.00 0.00 C ATOM 1739 O SER A 118 -2.585 -6.421 -4.601 1.00 0.00 O ATOM 1740 CB SER A 118 -4.565 -5.233 -6.156 1.00 0.00 C ATOM 1741 OG SER A 118 -5.833 -5.043 -6.761 1.00 0.00 O ATOM 0 H SER A 118 -3.581 -3.478 -4.335 1.00 0.00 H new ATOM 0 HA SER A 118 -5.677 -5.574 -4.350 1.00 0.00 H new ATOM 0 HB2 SER A 118 -3.887 -4.439 -6.469 1.00 0.00 H new ATOM 0 HB3 SER A 118 -4.133 -6.174 -6.497 1.00 0.00 H new ATOM 0 HG SER A 118 -5.733 -5.040 -7.736 1.00 0.00 H new ATOM 1747 N VAL A 119 -4.008 -6.801 -2.900 1.00 0.00 N ATOM 1748 CA VAL A 119 -3.126 -7.751 -2.231 1.00 0.00 C ATOM 1749 C VAL A 119 -3.172 -9.115 -2.909 1.00 0.00 C ATOM 1750 O VAL A 119 -4.233 -9.732 -3.014 1.00 0.00 O ATOM 1751 CB VAL A 119 -3.501 -7.914 -0.746 1.00 0.00 C ATOM 1752 CG1 VAL A 119 -2.542 -8.871 -0.055 1.00 0.00 C ATOM 1753 CG2 VAL A 119 -3.514 -6.563 -0.048 1.00 0.00 C ATOM 0 H VAL A 119 -4.894 -6.638 -2.421 1.00 0.00 H new ATOM 0 HA VAL A 119 -2.115 -7.349 -2.301 1.00 0.00 H new ATOM 0 HB VAL A 119 -4.504 -8.337 -0.687 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -2.823 -8.974 0.993 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -2.588 -9.846 -0.540 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -1.527 -8.480 -0.122 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -3.781 -6.698 1.000 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -2.525 -6.109 -0.115 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -4.245 -5.913 -0.528 1.00 0.00 H new ATOM 1763 N ARG A 120 -2.015 -9.582 -3.367 1.00 0.00 N ATOM 1764 CA ARG A 120 -1.924 -10.874 -4.036 1.00 0.00 C ATOM 1765 C ARG A 120 -1.334 -11.928 -3.103 1.00 0.00 C ATOM 1766 O ARG A 120 -0.268 -11.730 -2.521 1.00 0.00 O ATOM 1767 CB ARG A 120 -1.068 -10.759 -5.299 1.00 0.00 C ATOM 1768 CG ARG A 120 -1.838 -10.265 -6.513 1.00 0.00 C ATOM 1769 CD ARG A 120 -1.273 -10.841 -7.802 1.00 0.00 C ATOM 1770 NE ARG A 120 -0.032 -10.182 -8.199 1.00 0.00 N ATOM 1771 CZ ARG A 120 0.829 -10.699 -9.068 1.00 0.00 C ATOM 1772 NH1 ARG A 120 0.585 -11.875 -9.629 1.00 0.00 N ATOM 1773 NH2 ARG A 120 1.937 -10.038 -9.379 1.00 0.00 N ATOM 0 H ARG A 120 -1.128 -9.085 -3.287 1.00 0.00 H new ATOM 0 HA ARG A 120 -2.931 -11.183 -4.315 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -0.238 -10.080 -5.105 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -0.636 -11.734 -5.525 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -2.888 -10.544 -6.418 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -1.799 -9.176 -6.552 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -1.091 -11.908 -7.673 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -2.009 -10.737 -8.599 1.00 0.00 H new ATOM 0 HE ARG A 120 0.186 -9.275 -7.786 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -0.266 -12.386 -9.394 1.00 0.00 H new ATOM 0 HH12 ARG A 120 1.248 -12.269 -10.296 1.00 0.00 H new ATOM 0 HH21 ARG A 120 2.128 -9.132 -8.950 1.00 0.00 H new ATOM 0 HH22 ARG A 120 2.598 -10.436 -10.046 1.00 0.00 H new ATOM 1787 N ALA A 121 -2.035 -13.049 -2.967 1.00 0.00 N ATOM 1788 CA ALA A 121 -1.581 -14.134 -2.107 1.00 0.00 C ATOM 1789 C ALA A 121 -0.121 -14.480 -2.384 1.00 0.00 C ATOM 1790 O ALA A 121 0.355 -14.348 -3.511 1.00 0.00 O ATOM 1791 CB ALA A 121 -2.461 -15.361 -2.296 1.00 0.00 C ATOM 0 H ALA A 121 -2.920 -13.229 -3.442 1.00 0.00 H new ATOM 0 HA ALA A 121 -1.658 -13.801 -1.072 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -2.110 -16.164 -1.647 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -3.491 -15.113 -2.041 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -2.413 -15.687 -3.335 1.00 0.00 H new ATOM 1797 N LYS A 122 0.584 -14.922 -1.348 1.00 0.00 N ATOM 1798 CA LYS A 122 1.989 -15.288 -1.479 1.00 0.00 C ATOM 1799 C LYS A 122 2.244 -16.005 -2.801 1.00 0.00 C ATOM 1800 O LYS A 122 1.340 -16.580 -3.407 1.00 0.00 O ATOM 1801 CB LYS A 122 2.416 -16.180 -0.312 1.00 0.00 C ATOM 1802 CG LYS A 122 2.911 -15.405 0.897 1.00 0.00 C ATOM 1803 CD LYS A 122 3.249 -16.332 2.053 1.00 0.00 C ATOM 1804 CE LYS A 122 4.552 -17.077 1.806 1.00 0.00 C ATOM 1805 NZ LYS A 122 5.192 -17.510 3.079 1.00 0.00 N ATOM 0 H LYS A 122 0.205 -15.035 -0.408 1.00 0.00 H new ATOM 0 HA LYS A 122 2.580 -14.372 -1.463 1.00 0.00 H new ATOM 0 HB2 LYS A 122 1.572 -16.802 -0.014 1.00 0.00 H new ATOM 0 HB3 LYS A 122 3.204 -16.853 -0.649 1.00 0.00 H new ATOM 0 HG2 LYS A 122 3.793 -14.826 0.623 1.00 0.00 H new ATOM 0 HG3 LYS A 122 2.148 -14.693 1.211 1.00 0.00 H new ATOM 0 HD2 LYS A 122 3.328 -15.754 2.974 1.00 0.00 H new ATOM 0 HD3 LYS A 122 2.440 -17.049 2.195 1.00 0.00 H new ATOM 0 HE2 LYS A 122 4.359 -17.949 1.181 1.00 0.00 H new ATOM 0 HE3 LYS A 122 5.239 -16.435 1.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 6.077 -18.014 2.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 5.399 -16.676 3.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 4.547 -18.143 3.594 1.00 0.00 H new