USER MOD reduce.3.24.130724 H: found=0, std=0, add=971, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 972 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 92 GLN : amide:sc= -0.941 K(o=-1.8,f=-0.45) USER MOD Set 1.2: A 103 GLN : amide:sc= -1.47 K(o=-1.8,f=-0.27) USER MOD Set 1.3: A 105 THR OG1 : rot -27:sc= 0.572 USER MOD Set 2.1: A 39 THR OG1 : rot 180:sc= -0.126 USER MOD Set 2.2: A 54 HIS : no HD1:sc= -0.171 K(o=-0.3,f=-2.2) USER MOD Set 3.1: A 25 CYS SG : rot -149:sc= -0.0518 USER MOD Set 3.2: A 131 TYR OH : rot -140:sc= -0.21 USER MOD Single : A 1 MET CE :methyl -167:sc=-0.00939 (180deg=-0.194) USER MOD Single : A 1 MET N :NH3+ 131:sc= 0.097 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -169:sc= 0.452 (180deg=0.18) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 8 HIS : no HD1:sc= -0.0553 K(o=-0.055,f=-0.72) USER MOD Single : A 11 GLN : amide:sc= -1.16 K(o=-1.2,f=-3.3!) USER MOD Single : A 21 ASN : amide:sc= -0.12 K(o=-0.12,f=-3.4!) USER MOD Single : A 30 ASN : amide:sc= -0.455 X(o=-0.46,f=-0.057) USER MOD Single : A 33 SER OG : rot 180:sc= -0.169 USER MOD Single : A 34 SER OG : rot 180:sc= 0.00372 USER MOD Single : A 37 HIS : no HD1:sc= -0.941 K(o=-0.94,f=-1.7) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 47:sc= 0.0654 USER MOD Single : A 52 CYS SG : rot -140:sc= -2.12 USER MOD Single : A 53 HIS : no HD1:sc= -2.73 X(o=-2.7,f=-3.2!) USER MOD Single : A 55 MET CE :methyl 151:sc= -0.428 (180deg=-2.33!) USER MOD Single : A 58 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0342) USER MOD Single : A 61 SER OG : rot -101:sc= 0.427 USER MOD Single : A 67 THR OG1 : rot 90:sc= 0.322 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.00258 USER MOD Single : A 77 THR OG1 : rot -23:sc= 0.383 USER MOD Single : A 80 SER OG : rot -68:sc= 0.486 USER MOD Single : A 83 MET CE :methyl 160:sc= -0.111 (180deg=-0.549) USER MOD Single : A 95 SER OG : rot 36:sc= 0.115 USER MOD Single : A 100 THR OG1 : rot 80:sc= 0.803 USER MOD Single : A 113 THR OG1 : rot -26:sc= 0.103 USER MOD Single : A 116 GLN : amide:sc= 0.401 X(o=0.4,f=0) USER MOD Single : A 117 GLN : amide:sc= -0.825 K(o=-0.83,f=-7!) USER MOD Single : A 118 GLN : amide:sc= -0.101 X(o=-0.1,f=-0.4) USER MOD Single : A 122 GLN : amide:sc= -1.7! K(o=-1.7!,f=-0.91) USER MOD Single : A 127 ASN : amide:sc= 0.235 X(o=0.23,f=-0.033) USER MOD Single : A 129 LYS NZ :NH3+ -172:sc=-0.00479 (180deg=-0.0724) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.966 17.667 3.236 1.00 0.00 N ATOM 2 CA MET A 1 6.610 16.998 4.496 1.00 0.00 C ATOM 3 C MET A 1 6.177 15.548 4.237 1.00 0.00 C ATOM 4 O MET A 1 5.780 15.207 3.123 1.00 0.00 O ATOM 5 CB MET A 1 5.489 17.794 5.224 1.00 0.00 C ATOM 6 CG MET A 1 4.145 17.873 4.478 1.00 0.00 C ATOM 7 SD MET A 1 2.889 18.782 5.414 1.00 0.00 S ATOM 8 CE MET A 1 1.438 18.565 4.387 1.00 0.00 C ATOM 0 H1 MET A 1 6.484 18.587 3.183 1.00 0.00 H new ATOM 0 H2 MET A 1 7.995 17.812 3.199 1.00 0.00 H new ATOM 0 H3 MET A 1 6.671 17.075 2.433 1.00 0.00 H new ATOM 0 HA MET A 1 7.489 16.972 5.140 1.00 0.00 H new ATOM 0 HB2 MET A 1 5.318 17.338 6.199 1.00 0.00 H new ATOM 0 HB3 MET A 1 5.845 18.808 5.404 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.296 18.357 3.513 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.785 16.864 4.276 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.657 19.253 4.711 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.694 18.770 3.348 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.079 17.540 4.476 1.00 0.00 H new ATOM 20 N LYS A 2 6.264 14.701 5.279 1.00 0.00 N ATOM 21 CA LYS A 2 5.801 13.294 5.250 1.00 0.00 C ATOM 22 C LYS A 2 4.948 13.001 6.499 1.00 0.00 C ATOM 23 O LYS A 2 5.048 13.720 7.504 1.00 0.00 O ATOM 24 CB LYS A 2 6.995 12.296 5.208 1.00 0.00 C ATOM 25 CG LYS A 2 7.934 12.427 3.989 1.00 0.00 C ATOM 26 CD LYS A 2 9.027 11.336 3.968 1.00 0.00 C ATOM 27 CE LYS A 2 9.935 11.429 2.732 1.00 0.00 C ATOM 28 NZ LYS A 2 9.172 11.378 1.458 1.00 0.00 N ATOM 0 H LYS A 2 6.662 14.974 6.178 1.00 0.00 H new ATOM 0 HA LYS A 2 5.209 13.161 4.345 1.00 0.00 H new ATOM 0 HB2 LYS A 2 7.586 12.427 6.114 1.00 0.00 H new ATOM 0 HB3 LYS A 2 6.598 11.281 5.230 1.00 0.00 H new ATOM 0 HG2 LYS A 2 7.346 12.366 3.073 1.00 0.00 H new ATOM 0 HG3 LYS A 2 8.405 13.410 4.001 1.00 0.00 H new ATOM 0 HD2 LYS A 2 9.636 11.420 4.868 1.00 0.00 H new ATOM 0 HD3 LYS A 2 8.555 10.354 3.994 1.00 0.00 H new ATOM 0 HE2 LYS A 2 10.505 12.357 2.773 1.00 0.00 H new ATOM 0 HE3 LYS A 2 10.656 10.612 2.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 9.831 11.256 0.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 8.508 10.578 1.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 8.642 12.264 1.335 1.00 0.00 H new ATOM 42 N ILE A 3 4.111 11.945 6.430 1.00 0.00 N ATOM 43 CA ILE A 3 3.260 11.495 7.553 1.00 0.00 C ATOM 44 C ILE A 3 3.508 10.001 7.825 1.00 0.00 C ATOM 45 O ILE A 3 3.673 9.210 6.889 1.00 0.00 O ATOM 46 CB ILE A 3 1.725 11.716 7.267 1.00 0.00 C ATOM 47 CG1 ILE A 3 1.435 13.173 6.786 1.00 0.00 C ATOM 48 CG2 ILE A 3 0.869 11.369 8.520 1.00 0.00 C ATOM 49 CD1 ILE A 3 -0.008 13.434 6.385 1.00 0.00 C ATOM 0 H ILE A 3 4.005 11.377 5.589 1.00 0.00 H new ATOM 0 HA ILE A 3 3.530 12.094 8.423 1.00 0.00 H new ATOM 0 HB ILE A 3 1.442 11.039 6.461 1.00 0.00 H new ATOM 0 HG12 ILE A 3 1.707 13.865 7.583 1.00 0.00 H new ATOM 0 HG13 ILE A 3 2.080 13.396 5.936 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -0.186 11.530 8.296 1.00 0.00 H new ATOM 0 HG22 ILE A 3 1.027 10.325 8.791 1.00 0.00 H new ATOM 0 HG23 ILE A 3 1.165 12.009 9.351 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -0.115 14.471 6.065 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -0.283 12.771 5.565 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -0.662 13.248 7.237 1.00 0.00 H new ATOM 61 N SER A 4 3.524 9.635 9.116 1.00 0.00 N ATOM 62 CA SER A 4 3.708 8.256 9.576 1.00 0.00 C ATOM 63 C SER A 4 2.374 7.677 10.087 1.00 0.00 C ATOM 64 O SER A 4 1.712 8.279 10.944 1.00 0.00 O ATOM 65 CB SER A 4 4.769 8.241 10.697 1.00 0.00 C ATOM 66 OG SER A 4 5.982 8.825 10.245 1.00 0.00 O ATOM 0 H SER A 4 3.407 10.302 9.879 1.00 0.00 H new ATOM 0 HA SER A 4 4.047 7.636 8.746 1.00 0.00 H new ATOM 0 HB2 SER A 4 4.397 8.787 11.564 1.00 0.00 H new ATOM 0 HB3 SER A 4 4.951 7.216 11.019 1.00 0.00 H new ATOM 0 HG SER A 4 6.643 8.809 10.969 1.00 0.00 H new ATOM 72 N ILE A 5 1.966 6.538 9.511 1.00 0.00 N ATOM 73 CA ILE A 5 0.861 5.697 10.012 1.00 0.00 C ATOM 74 C ILE A 5 1.385 4.272 10.252 1.00 0.00 C ATOM 75 O ILE A 5 2.416 3.881 9.696 1.00 0.00 O ATOM 76 CB ILE A 5 -0.367 5.641 9.027 1.00 0.00 C ATOM 77 CG1 ILE A 5 0.044 5.055 7.638 1.00 0.00 C ATOM 78 CG2 ILE A 5 -1.026 7.029 8.876 1.00 0.00 C ATOM 79 CD1 ILE A 5 -1.099 4.874 6.656 1.00 0.00 C ATOM 0 H ILE A 5 2.401 6.165 8.667 1.00 0.00 H new ATOM 0 HA ILE A 5 0.506 6.147 10.939 1.00 0.00 H new ATOM 0 HB ILE A 5 -1.107 4.969 9.461 1.00 0.00 H new ATOM 0 HG12 ILE A 5 0.789 5.712 7.189 1.00 0.00 H new ATOM 0 HG13 ILE A 5 0.525 4.089 7.795 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -1.870 6.958 8.190 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -1.377 7.373 9.849 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -0.297 7.737 8.482 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -0.715 4.463 5.722 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -1.836 4.191 7.078 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -1.568 5.839 6.462 1.00 0.00 H new ATOM 91 N GLU A 6 0.659 3.501 11.066 1.00 0.00 N ATOM 92 CA GLU A 6 1.064 2.139 11.456 1.00 0.00 C ATOM 93 C GLU A 6 -0.155 1.222 11.636 1.00 0.00 C ATOM 94 O GLU A 6 -1.295 1.698 11.667 1.00 0.00 O ATOM 95 CB GLU A 6 1.889 2.199 12.767 1.00 0.00 C ATOM 96 CG GLU A 6 1.114 2.752 13.981 1.00 0.00 C ATOM 97 CD GLU A 6 1.971 2.841 15.246 1.00 0.00 C ATOM 98 OE1 GLU A 6 2.087 1.825 15.968 1.00 0.00 O ATOM 99 OE2 GLU A 6 2.558 3.910 15.510 1.00 0.00 O ATOM 0 H GLU A 6 -0.226 3.799 11.475 1.00 0.00 H new ATOM 0 HA GLU A 6 1.677 1.721 10.658 1.00 0.00 H new ATOM 0 HB2 GLU A 6 2.245 1.197 13.004 1.00 0.00 H new ATOM 0 HB3 GLU A 6 2.770 2.819 12.600 1.00 0.00 H new ATOM 0 HG2 GLU A 6 0.729 3.743 13.739 1.00 0.00 H new ATOM 0 HG3 GLU A 6 0.252 2.114 14.177 1.00 0.00 H new ATOM 106 N ALA A 7 0.113 -0.092 11.761 1.00 0.00 N ATOM 107 CA ALA A 7 -0.901 -1.136 11.978 1.00 0.00 C ATOM 108 C ALA A 7 -0.221 -2.424 12.463 1.00 0.00 C ATOM 109 O ALA A 7 0.645 -2.955 11.778 1.00 0.00 O ATOM 110 CB ALA A 7 -1.693 -1.406 10.684 1.00 0.00 C ATOM 0 H ALA A 7 1.062 -0.463 11.713 1.00 0.00 H new ATOM 0 HA ALA A 7 -1.601 -0.791 12.739 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -2.437 -2.181 10.868 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -2.193 -0.491 10.366 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -1.010 -1.737 9.902 1.00 0.00 H new ATOM 116 N HIS A 8 -0.625 -2.926 13.639 1.00 0.00 N ATOM 117 CA HIS A 8 -0.091 -4.174 14.216 1.00 0.00 C ATOM 118 C HIS A 8 -1.001 -5.352 13.804 1.00 0.00 C ATOM 119 O HIS A 8 -1.937 -5.723 14.509 1.00 0.00 O ATOM 120 CB HIS A 8 0.073 -4.045 15.764 1.00 0.00 C ATOM 121 CG HIS A 8 -1.159 -3.599 16.533 1.00 0.00 C ATOM 122 ND1 HIS A 8 -1.558 -2.282 16.623 1.00 0.00 N ATOM 123 CD2 HIS A 8 -2.077 -4.308 17.236 1.00 0.00 C ATOM 124 CE1 HIS A 8 -2.665 -2.202 17.338 1.00 0.00 C ATOM 125 NE2 HIS A 8 -3.000 -3.412 17.720 1.00 0.00 N ATOM 0 H HIS A 8 -1.333 -2.478 14.221 1.00 0.00 H new ATOM 0 HA HIS A 8 0.907 -4.370 13.823 1.00 0.00 H new ATOM 0 HB2 HIS A 8 0.391 -5.011 16.157 1.00 0.00 H new ATOM 0 HB3 HIS A 8 0.878 -3.338 15.966 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -2.082 -5.377 17.387 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -3.203 -1.295 17.569 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -3.815 -3.649 18.286 1.00 0.00 H new ATOM 134 N ILE A 9 -0.751 -5.881 12.598 1.00 0.00 N ATOM 135 CA ILE A 9 -1.543 -6.986 12.019 1.00 0.00 C ATOM 136 C ILE A 9 -1.068 -8.310 12.638 1.00 0.00 C ATOM 137 O ILE A 9 0.112 -8.621 12.548 1.00 0.00 O ATOM 138 CB ILE A 9 -1.384 -7.051 10.447 1.00 0.00 C ATOM 139 CG1 ILE A 9 -1.456 -5.622 9.816 1.00 0.00 C ATOM 140 CG2 ILE A 9 -2.455 -7.985 9.820 1.00 0.00 C ATOM 141 CD1 ILE A 9 -1.319 -5.590 8.303 1.00 0.00 C ATOM 0 H ILE A 9 0.004 -5.558 11.993 1.00 0.00 H new ATOM 0 HA ILE A 9 -2.596 -6.814 12.241 1.00 0.00 H new ATOM 0 HB ILE A 9 -0.401 -7.467 10.227 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -2.407 -5.165 10.091 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -0.669 -5.007 10.252 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -2.325 -8.013 8.738 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -2.343 -8.991 10.225 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -3.450 -7.608 10.056 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -1.381 -4.559 7.954 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -0.357 -6.013 8.016 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -2.121 -6.174 7.853 1.00 0.00 H new ATOM 153 N GLU A 10 -1.976 -9.086 13.255 1.00 0.00 N ATOM 154 CA GLU A 10 -1.624 -10.362 13.928 1.00 0.00 C ATOM 155 C GLU A 10 -1.531 -11.505 12.888 1.00 0.00 C ATOM 156 O GLU A 10 -2.275 -12.484 12.930 1.00 0.00 O ATOM 157 CB GLU A 10 -2.649 -10.656 15.063 1.00 0.00 C ATOM 158 CG GLU A 10 -2.531 -9.708 16.277 1.00 0.00 C ATOM 159 CD GLU A 10 -3.689 -9.831 17.286 1.00 0.00 C ATOM 160 OE1 GLU A 10 -3.822 -10.889 17.936 1.00 0.00 O ATOM 161 OE2 GLU A 10 -4.476 -8.873 17.430 1.00 0.00 O ATOM 0 H GLU A 10 -2.968 -8.855 13.305 1.00 0.00 H new ATOM 0 HA GLU A 10 -0.642 -10.282 14.394 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -3.657 -10.584 14.655 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -2.515 -11.683 15.403 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -1.592 -9.910 16.792 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -2.484 -8.680 15.918 1.00 0.00 H new ATOM 168 N GLN A 11 -0.559 -11.359 11.977 1.00 0.00 N ATOM 169 CA GLN A 11 -0.424 -12.199 10.781 1.00 0.00 C ATOM 170 C GLN A 11 1.055 -12.479 10.499 1.00 0.00 C ATOM 171 O GLN A 11 1.926 -11.761 10.996 1.00 0.00 O ATOM 172 CB GLN A 11 -1.073 -11.445 9.587 1.00 0.00 C ATOM 173 CG GLN A 11 -1.028 -12.152 8.227 1.00 0.00 C ATOM 174 CD GLN A 11 -1.768 -13.482 8.206 1.00 0.00 C ATOM 175 OE1 GLN A 11 -1.168 -14.541 8.400 1.00 0.00 O ATOM 176 NE2 GLN A 11 -3.079 -13.427 8.030 1.00 0.00 N ATOM 0 H GLN A 11 0.165 -10.644 12.052 1.00 0.00 H new ATOM 0 HA GLN A 11 -0.923 -13.156 10.932 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -2.116 -11.247 9.835 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -0.580 -10.478 9.486 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -1.458 -11.495 7.471 1.00 0.00 H new ATOM 0 HG3 GLN A 11 0.012 -12.320 7.949 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -3.535 -12.528 7.872 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -3.633 -14.283 8.052 1.00 0.00 H new ATOM 185 N GLU A 12 1.337 -13.545 9.732 1.00 0.00 N ATOM 186 CA GLU A 12 2.671 -13.832 9.201 1.00 0.00 C ATOM 187 C GLU A 12 3.100 -12.729 8.225 1.00 0.00 C ATOM 188 O GLU A 12 2.309 -12.330 7.368 1.00 0.00 O ATOM 189 CB GLU A 12 2.660 -15.196 8.458 1.00 0.00 C ATOM 190 CG GLU A 12 2.209 -16.398 9.309 1.00 0.00 C ATOM 191 CD GLU A 12 3.121 -16.669 10.516 1.00 0.00 C ATOM 192 OE1 GLU A 12 4.227 -17.217 10.326 1.00 0.00 O ATOM 193 OE2 GLU A 12 2.741 -16.347 11.657 1.00 0.00 O ATOM 0 H GLU A 12 0.636 -14.235 9.463 1.00 0.00 H new ATOM 0 HA GLU A 12 3.376 -13.873 10.031 1.00 0.00 H new ATOM 0 HB2 GLU A 12 2.002 -15.116 7.593 1.00 0.00 H new ATOM 0 HB3 GLU A 12 3.663 -15.394 8.079 1.00 0.00 H new ATOM 0 HG2 GLU A 12 1.193 -16.222 9.663 1.00 0.00 H new ATOM 0 HG3 GLU A 12 2.178 -17.288 8.680 1.00 0.00 H new ATOM 200 N ILE A 13 4.353 -12.270 8.349 1.00 0.00 N ATOM 201 CA ILE A 13 4.925 -11.219 7.481 1.00 0.00 C ATOM 202 C ILE A 13 4.951 -11.691 6.010 1.00 0.00 C ATOM 203 O ILE A 13 4.883 -10.880 5.089 1.00 0.00 O ATOM 204 CB ILE A 13 6.363 -10.808 7.972 1.00 0.00 C ATOM 205 CG1 ILE A 13 6.895 -9.559 7.204 1.00 0.00 C ATOM 206 CG2 ILE A 13 7.355 -11.993 7.872 1.00 0.00 C ATOM 207 CD1 ILE A 13 8.267 -9.096 7.639 1.00 0.00 C ATOM 0 H ILE A 13 5.004 -12.615 9.054 1.00 0.00 H new ATOM 0 HA ILE A 13 4.289 -10.336 7.543 1.00 0.00 H new ATOM 0 HB ILE A 13 6.281 -10.535 9.024 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.923 -9.787 6.139 1.00 0.00 H new ATOM 0 HG13 ILE A 13 6.189 -8.739 7.336 1.00 0.00 H new ATOM 0 HG21 ILE A 13 8.338 -11.675 8.219 1.00 0.00 H new ATOM 0 HG22 ILE A 13 7.001 -12.817 8.491 1.00 0.00 H new ATOM 0 HG23 ILE A 13 7.425 -12.322 6.835 1.00 0.00 H new ATOM 0 HD11 ILE A 13 8.559 -8.224 7.054 1.00 0.00 H new ATOM 0 HD12 ILE A 13 8.244 -8.833 8.696 1.00 0.00 H new ATOM 0 HD13 ILE A 13 8.989 -9.897 7.481 1.00 0.00 H new ATOM 219 N GLU A 14 5.009 -13.027 5.822 1.00 0.00 N ATOM 220 CA GLU A 14 4.921 -13.665 4.502 1.00 0.00 C ATOM 221 C GLU A 14 3.558 -13.381 3.846 1.00 0.00 C ATOM 222 O GLU A 14 3.502 -12.982 2.693 1.00 0.00 O ATOM 223 CB GLU A 14 5.127 -15.199 4.623 1.00 0.00 C ATOM 224 CG GLU A 14 6.480 -15.628 5.209 1.00 0.00 C ATOM 225 CD GLU A 14 7.681 -15.171 4.368 1.00 0.00 C ATOM 226 OE1 GLU A 14 7.896 -15.728 3.270 1.00 0.00 O ATOM 227 OE2 GLU A 14 8.424 -14.262 4.796 1.00 0.00 O ATOM 0 H GLU A 14 5.119 -13.691 6.588 1.00 0.00 H new ATOM 0 HA GLU A 14 5.709 -13.245 3.876 1.00 0.00 H new ATOM 0 HB2 GLU A 14 4.332 -15.609 5.246 1.00 0.00 H new ATOM 0 HB3 GLU A 14 5.019 -15.644 3.634 1.00 0.00 H new ATOM 0 HG2 GLU A 14 6.576 -15.223 6.216 1.00 0.00 H new ATOM 0 HG3 GLU A 14 6.501 -16.714 5.299 1.00 0.00 H new ATOM 234 N ALA A 15 2.469 -13.591 4.611 1.00 0.00 N ATOM 235 CA ALA A 15 1.076 -13.431 4.117 1.00 0.00 C ATOM 236 C ALA A 15 0.677 -11.948 3.993 1.00 0.00 C ATOM 237 O ALA A 15 -0.163 -11.588 3.161 1.00 0.00 O ATOM 238 CB ALA A 15 0.098 -14.176 5.032 1.00 0.00 C ATOM 0 H ALA A 15 2.524 -13.876 5.589 1.00 0.00 H new ATOM 0 HA ALA A 15 1.029 -13.865 3.118 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -0.918 -14.050 4.658 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.350 -15.236 5.048 1.00 0.00 H new ATOM 0 HB3 ALA A 15 0.165 -13.772 6.042 1.00 0.00 H new ATOM 244 N VAL A 16 1.271 -11.106 4.852 1.00 0.00 N ATOM 245 CA VAL A 16 1.117 -9.637 4.786 1.00 0.00 C ATOM 246 C VAL A 16 1.734 -9.112 3.468 1.00 0.00 C ATOM 247 O VAL A 16 1.063 -8.446 2.670 1.00 0.00 O ATOM 248 CB VAL A 16 1.791 -8.940 6.036 1.00 0.00 C ATOM 249 CG1 VAL A 16 1.820 -7.407 5.915 1.00 0.00 C ATOM 250 CG2 VAL A 16 1.093 -9.349 7.352 1.00 0.00 C ATOM 0 H VAL A 16 1.873 -11.420 5.614 1.00 0.00 H new ATOM 0 HA VAL A 16 0.055 -9.393 4.806 1.00 0.00 H new ATOM 0 HB VAL A 16 2.823 -9.290 6.056 1.00 0.00 H new ATOM 0 HG11 VAL A 16 2.293 -6.981 6.800 1.00 0.00 H new ATOM 0 HG12 VAL A 16 2.386 -7.123 5.028 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.801 -7.029 5.831 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.580 -8.853 8.192 1.00 0.00 H new ATOM 0 HG22 VAL A 16 0.044 -9.054 7.315 1.00 0.00 H new ATOM 0 HG23 VAL A 16 1.161 -10.429 7.480 1.00 0.00 H new ATOM 260 N TRP A 17 3.008 -9.475 3.248 1.00 0.00 N ATOM 261 CA TRP A 17 3.757 -9.119 2.027 1.00 0.00 C ATOM 262 C TRP A 17 3.103 -9.745 0.779 1.00 0.00 C ATOM 263 O TRP A 17 3.095 -9.137 -0.279 1.00 0.00 O ATOM 264 CB TRP A 17 5.233 -9.586 2.163 1.00 0.00 C ATOM 265 CG TRP A 17 6.141 -9.213 1.003 1.00 0.00 C ATOM 266 CD1 TRP A 17 6.366 -9.934 -0.142 1.00 0.00 C ATOM 267 CD2 TRP A 17 6.953 -8.032 0.888 1.00 0.00 C ATOM 268 NE1 TRP A 17 7.251 -9.272 -0.952 1.00 0.00 N ATOM 269 CE2 TRP A 17 7.626 -8.104 -0.341 1.00 0.00 C ATOM 270 CE3 TRP A 17 7.170 -6.926 1.705 1.00 0.00 C ATOM 271 CZ2 TRP A 17 8.500 -7.112 -0.769 1.00 0.00 C ATOM 272 CZ3 TRP A 17 8.043 -5.941 1.281 1.00 0.00 C ATOM 273 CH2 TRP A 17 8.697 -6.041 0.051 1.00 0.00 C ATOM 0 H TRP A 17 3.551 -10.026 3.913 1.00 0.00 H new ATOM 0 HA TRP A 17 3.736 -8.036 1.907 1.00 0.00 H new ATOM 0 HB2 TRP A 17 5.648 -9.163 3.078 1.00 0.00 H new ATOM 0 HB3 TRP A 17 5.245 -10.670 2.278 1.00 0.00 H new ATOM 0 HD1 TRP A 17 5.911 -10.886 -0.372 1.00 0.00 H new ATOM 0 HE1 TRP A 17 7.578 -9.596 -1.862 1.00 0.00 H new ATOM 0 HE3 TRP A 17 6.664 -6.839 2.655 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 9.006 -7.187 -1.720 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 8.222 -5.082 1.910 1.00 0.00 H new ATOM 0 HH2 TRP A 17 9.371 -5.255 -0.256 1.00 0.00 H new ATOM 284 N TRP A 18 2.559 -10.961 0.934 1.00 0.00 N ATOM 285 CA TRP A 18 1.896 -11.707 -0.160 1.00 0.00 C ATOM 286 C TRP A 18 0.629 -10.974 -0.627 1.00 0.00 C ATOM 287 O TRP A 18 0.404 -10.837 -1.819 1.00 0.00 O ATOM 288 CB TRP A 18 1.549 -13.142 0.296 1.00 0.00 C ATOM 289 CG TRP A 18 0.845 -13.991 -0.745 1.00 0.00 C ATOM 290 CD1 TRP A 18 1.402 -14.599 -1.832 1.00 0.00 C ATOM 291 CD2 TRP A 18 -0.552 -14.329 -0.779 1.00 0.00 C ATOM 292 NE1 TRP A 18 0.442 -15.272 -2.542 1.00 0.00 N ATOM 293 CE2 TRP A 18 -0.760 -15.130 -1.916 1.00 0.00 C ATOM 294 CE3 TRP A 18 -1.642 -14.029 0.040 1.00 0.00 C ATOM 295 CZ2 TRP A 18 -2.006 -15.636 -2.256 1.00 0.00 C ATOM 296 CZ3 TRP A 18 -2.878 -14.535 -0.300 1.00 0.00 C ATOM 297 CH2 TRP A 18 -3.053 -15.330 -1.438 1.00 0.00 C ATOM 0 H TRP A 18 2.564 -11.462 1.823 1.00 0.00 H new ATOM 0 HA TRP A 18 2.588 -11.767 -1.000 1.00 0.00 H new ATOM 0 HB2 TRP A 18 2.469 -13.646 0.593 1.00 0.00 H new ATOM 0 HB3 TRP A 18 0.918 -13.083 1.183 1.00 0.00 H new ATOM 0 HD1 TRP A 18 2.449 -14.556 -2.095 1.00 0.00 H new ATOM 0 HE1 TRP A 18 0.602 -15.796 -3.402 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -1.519 -13.415 0.920 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -2.142 -16.249 -3.135 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -3.730 -14.313 0.326 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -4.037 -15.709 -1.673 1.00 0.00 H new ATOM 308 N ALA A 19 -0.193 -10.528 0.333 1.00 0.00 N ATOM 309 CA ALA A 19 -1.413 -9.740 0.044 1.00 0.00 C ATOM 310 C ALA A 19 -1.071 -8.408 -0.655 1.00 0.00 C ATOM 311 O ALA A 19 -1.851 -7.903 -1.474 1.00 0.00 O ATOM 312 CB ALA A 19 -2.207 -9.497 1.333 1.00 0.00 C ATOM 0 H ALA A 19 -0.038 -10.698 1.327 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.034 -10.316 -0.642 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.101 -8.917 1.106 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.496 -10.454 1.768 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.589 -8.948 2.043 1.00 0.00 H new ATOM 318 N TRP A 20 0.107 -7.858 -0.322 1.00 0.00 N ATOM 319 CA TRP A 20 0.622 -6.621 -0.935 1.00 0.00 C ATOM 320 C TRP A 20 1.204 -6.898 -2.351 1.00 0.00 C ATOM 321 O TRP A 20 1.082 -6.068 -3.255 1.00 0.00 O ATOM 322 CB TRP A 20 1.708 -6.006 -0.003 1.00 0.00 C ATOM 323 CG TRP A 20 2.035 -4.551 -0.292 1.00 0.00 C ATOM 324 CD1 TRP A 20 2.799 -4.051 -1.317 1.00 0.00 C ATOM 325 CD2 TRP A 20 1.611 -3.412 0.474 1.00 0.00 C ATOM 326 NE1 TRP A 20 2.844 -2.681 -1.243 1.00 0.00 N ATOM 327 CE2 TRP A 20 2.127 -2.269 -0.151 1.00 0.00 C ATOM 328 CE3 TRP A 20 0.833 -3.255 1.623 1.00 0.00 C ATOM 329 CZ2 TRP A 20 1.889 -0.987 0.335 1.00 0.00 C ATOM 330 CZ3 TRP A 20 0.603 -1.985 2.111 1.00 0.00 C ATOM 331 CH2 TRP A 20 1.128 -0.863 1.465 1.00 0.00 C ATOM 0 H TRP A 20 0.730 -8.257 0.380 1.00 0.00 H new ATOM 0 HA TRP A 20 -0.198 -5.913 -1.053 1.00 0.00 H new ATOM 0 HB2 TRP A 20 1.373 -6.092 1.031 1.00 0.00 H new ATOM 0 HB3 TRP A 20 2.621 -6.595 -0.092 1.00 0.00 H new ATOM 0 HD1 TRP A 20 3.292 -4.647 -2.070 1.00 0.00 H new ATOM 0 HE1 TRP A 20 3.333 -2.068 -1.896 1.00 0.00 H new ATOM 0 HE3 TRP A 20 0.417 -4.117 2.123 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 2.292 -0.118 -0.164 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 0.009 -1.857 3.004 1.00 0.00 H new ATOM 0 HH2 TRP A 20 0.929 0.120 1.865 1.00 0.00 H new ATOM 342 N ASN A 21 1.828 -8.080 -2.525 1.00 0.00 N ATOM 343 CA ASN A 21 2.571 -8.436 -3.760 1.00 0.00 C ATOM 344 C ASN A 21 1.640 -8.980 -4.859 1.00 0.00 C ATOM 345 O ASN A 21 1.842 -8.708 -6.040 1.00 0.00 O ATOM 346 CB ASN A 21 3.657 -9.506 -3.429 1.00 0.00 C ATOM 347 CG ASN A 21 4.223 -10.238 -4.665 1.00 0.00 C ATOM 348 OD1 ASN A 21 5.191 -9.811 -5.287 1.00 0.00 O ATOM 349 ND2 ASN A 21 3.611 -11.358 -5.027 1.00 0.00 N ATOM 0 H ASN A 21 1.834 -8.816 -1.818 1.00 0.00 H new ATOM 0 HA ASN A 21 3.037 -7.525 -4.136 1.00 0.00 H new ATOM 0 HB2 ASN A 21 4.478 -9.022 -2.900 1.00 0.00 H new ATOM 0 HB3 ASN A 21 3.230 -10.243 -2.749 1.00 0.00 H new ATOM 0 HD21 ASN A 21 3.943 -11.882 -5.836 1.00 0.00 H new ATOM 0 HD22 ASN A 21 2.808 -11.695 -4.496 1.00 0.00 H new ATOM 356 N ASP A 22 0.644 -9.760 -4.452 1.00 0.00 N ATOM 357 CA ASP A 22 -0.217 -10.506 -5.381 1.00 0.00 C ATOM 358 C ASP A 22 -1.226 -9.550 -6.039 1.00 0.00 C ATOM 359 O ASP A 22 -1.944 -8.864 -5.318 1.00 0.00 O ATOM 360 CB ASP A 22 -0.941 -11.657 -4.638 1.00 0.00 C ATOM 361 CG ASP A 22 -1.729 -12.584 -5.579 1.00 0.00 C ATOM 362 OD1 ASP A 22 -2.884 -12.258 -5.933 1.00 0.00 O ATOM 363 OD2 ASP A 22 -1.188 -13.628 -5.991 1.00 0.00 O ATOM 0 H ASP A 22 0.406 -9.897 -3.470 1.00 0.00 H new ATOM 0 HA ASP A 22 0.399 -10.948 -6.164 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.206 -12.246 -4.090 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.623 -11.233 -3.901 1.00 0.00 H new ATOM 368 N PRO A 23 -1.276 -9.476 -7.415 1.00 0.00 N ATOM 369 CA PRO A 23 -2.140 -8.516 -8.141 1.00 0.00 C ATOM 370 C PRO A 23 -3.637 -8.664 -7.804 1.00 0.00 C ATOM 371 O PRO A 23 -4.346 -7.663 -7.697 1.00 0.00 O ATOM 372 CB PRO A 23 -1.861 -8.822 -9.639 1.00 0.00 C ATOM 373 CG PRO A 23 -0.532 -9.509 -9.645 1.00 0.00 C ATOM 374 CD PRO A 23 -0.479 -10.300 -8.360 1.00 0.00 C ATOM 0 HA PRO A 23 -1.912 -7.487 -7.862 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -2.637 -9.458 -10.065 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -1.837 -7.908 -10.232 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -0.432 -10.162 -10.512 1.00 0.00 H new ATOM 0 HG3 PRO A 23 0.283 -8.787 -9.695 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -0.905 -11.296 -8.483 1.00 0.00 H new ATOM 0 HD3 PRO A 23 0.545 -10.433 -8.012 1.00 0.00 H new ATOM 382 N ASP A 24 -4.096 -9.915 -7.620 1.00 0.00 N ATOM 383 CA ASP A 24 -5.511 -10.208 -7.288 1.00 0.00 C ATOM 384 C ASP A 24 -5.819 -9.792 -5.845 1.00 0.00 C ATOM 385 O ASP A 24 -6.879 -9.233 -5.564 1.00 0.00 O ATOM 386 CB ASP A 24 -5.831 -11.715 -7.485 1.00 0.00 C ATOM 387 CG ASP A 24 -5.534 -12.218 -8.905 1.00 0.00 C ATOM 388 OD1 ASP A 24 -6.327 -11.946 -9.827 1.00 0.00 O ATOM 389 OD2 ASP A 24 -4.495 -12.878 -9.109 1.00 0.00 O ATOM 0 H ASP A 24 -3.508 -10.745 -7.695 1.00 0.00 H new ATOM 0 HA ASP A 24 -6.140 -9.632 -7.967 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -5.250 -12.299 -6.771 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -6.883 -11.889 -7.258 1.00 0.00 H new ATOM 394 N CYS A 25 -4.866 -10.065 -4.941 1.00 0.00 N ATOM 395 CA CYS A 25 -5.018 -9.750 -3.513 1.00 0.00 C ATOM 396 C CYS A 25 -5.048 -8.232 -3.279 1.00 0.00 C ATOM 397 O CYS A 25 -5.956 -7.717 -2.617 1.00 0.00 O ATOM 398 CB CYS A 25 -3.886 -10.401 -2.696 1.00 0.00 C ATOM 399 SG CYS A 25 -3.893 -12.207 -2.748 1.00 0.00 S ATOM 0 H CYS A 25 -3.977 -10.506 -5.176 1.00 0.00 H new ATOM 0 HA CYS A 25 -5.971 -10.159 -3.177 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -2.928 -10.040 -3.069 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -3.967 -10.077 -1.659 1.00 0.00 H new ATOM 0 HG CYS A 25 -3.431 -12.675 -1.627 1.00 0.00 H new ATOM 405 N ILE A 26 -4.058 -7.532 -3.854 1.00 0.00 N ATOM 406 CA ILE A 26 -3.914 -6.079 -3.725 1.00 0.00 C ATOM 407 C ILE A 26 -5.108 -5.353 -4.357 1.00 0.00 C ATOM 408 O ILE A 26 -5.549 -4.332 -3.849 1.00 0.00 O ATOM 409 CB ILE A 26 -2.544 -5.573 -4.328 1.00 0.00 C ATOM 410 CG1 ILE A 26 -2.248 -4.102 -3.911 1.00 0.00 C ATOM 411 CG2 ILE A 26 -2.509 -5.701 -5.865 1.00 0.00 C ATOM 412 CD1 ILE A 26 -0.837 -3.646 -4.221 1.00 0.00 C ATOM 0 H ILE A 26 -3.331 -7.964 -4.425 1.00 0.00 H new ATOM 0 HA ILE A 26 -3.902 -5.841 -2.661 1.00 0.00 H new ATOM 0 HB ILE A 26 -1.767 -6.216 -3.916 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -2.952 -3.443 -4.419 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.427 -3.995 -2.841 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -1.550 -5.342 -6.238 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -2.640 -6.746 -6.146 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -3.313 -5.105 -6.298 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.710 -2.612 -3.901 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.125 -4.280 -3.692 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -0.659 -3.718 -5.294 1.00 0.00 H new ATOM 424 N ALA A 27 -5.663 -5.940 -5.430 1.00 0.00 N ATOM 425 CA ALA A 27 -6.819 -5.377 -6.144 1.00 0.00 C ATOM 426 C ALA A 27 -8.096 -5.374 -5.290 1.00 0.00 C ATOM 427 O ALA A 27 -9.025 -4.611 -5.568 1.00 0.00 O ATOM 428 CB ALA A 27 -7.058 -6.151 -7.434 1.00 0.00 C ATOM 0 H ALA A 27 -5.323 -6.817 -5.826 1.00 0.00 H new ATOM 0 HA ALA A 27 -6.583 -4.338 -6.371 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -7.916 -5.729 -7.958 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -6.175 -6.082 -8.069 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -7.255 -7.197 -7.199 1.00 0.00 H new ATOM 434 N ARG A 28 -8.151 -6.243 -4.267 1.00 0.00 N ATOM 435 CA ARG A 28 -9.342 -6.384 -3.409 1.00 0.00 C ATOM 436 C ARG A 28 -9.307 -5.452 -2.183 1.00 0.00 C ATOM 437 O ARG A 28 -10.371 -5.126 -1.642 1.00 0.00 O ATOM 438 CB ARG A 28 -9.547 -7.866 -3.000 1.00 0.00 C ATOM 439 CG ARG A 28 -9.820 -8.800 -4.203 1.00 0.00 C ATOM 440 CD ARG A 28 -10.318 -10.206 -3.808 1.00 0.00 C ATOM 441 NE ARG A 28 -9.278 -11.043 -3.173 1.00 0.00 N ATOM 442 CZ ARG A 28 -9.418 -12.350 -2.863 1.00 0.00 C ATOM 443 NH1 ARG A 28 -10.556 -13.003 -3.116 1.00 0.00 N ATOM 444 NH2 ARG A 28 -8.396 -13.011 -2.340 1.00 0.00 N ATOM 0 H ARG A 28 -7.381 -6.862 -4.012 1.00 0.00 H new ATOM 0 HA ARG A 28 -10.203 -6.070 -3.998 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -8.660 -8.216 -2.471 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -10.381 -7.931 -2.302 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -10.561 -8.333 -4.851 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -8.905 -8.901 -4.786 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -11.160 -10.105 -3.123 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -10.689 -10.715 -4.698 1.00 0.00 H new ATOM 0 HE ARG A 28 -8.386 -10.599 -2.952 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -11.339 -12.514 -3.551 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -10.642 -13.990 -2.874 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -7.511 -12.533 -2.174 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -8.495 -13.998 -2.103 1.00 0.00 H new ATOM 458 N TRP A 29 -8.103 -5.018 -1.734 1.00 0.00 N ATOM 459 CA TRP A 29 -7.995 -4.086 -0.572 1.00 0.00 C ATOM 460 C TRP A 29 -7.665 -2.645 -0.993 1.00 0.00 C ATOM 461 O TRP A 29 -7.987 -1.709 -0.262 1.00 0.00 O ATOM 462 CB TRP A 29 -6.992 -4.593 0.507 1.00 0.00 C ATOM 463 CG TRP A 29 -5.535 -4.724 0.107 1.00 0.00 C ATOM 464 CD1 TRP A 29 -4.883 -5.872 -0.247 1.00 0.00 C ATOM 465 CD2 TRP A 29 -4.533 -3.682 0.081 1.00 0.00 C ATOM 466 NE1 TRP A 29 -3.565 -5.609 -0.502 1.00 0.00 N ATOM 467 CE2 TRP A 29 -3.325 -4.277 -0.314 1.00 0.00 C ATOM 468 CE3 TRP A 29 -4.544 -2.306 0.341 1.00 0.00 C ATOM 469 CZ2 TRP A 29 -2.145 -3.556 -0.451 1.00 0.00 C ATOM 470 CZ3 TRP A 29 -3.370 -1.593 0.204 1.00 0.00 C ATOM 471 CH2 TRP A 29 -2.186 -2.218 -0.193 1.00 0.00 C ATOM 0 H TRP A 29 -7.209 -5.288 -2.144 1.00 0.00 H new ATOM 0 HA TRP A 29 -8.986 -4.071 -0.119 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -7.046 -3.917 1.360 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -7.335 -5.569 0.852 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -5.343 -6.847 -0.316 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -2.870 -6.299 -0.788 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -5.455 -1.811 0.643 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -1.227 -4.039 -0.752 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -3.367 -0.532 0.408 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -1.286 -1.630 -0.298 1.00 0.00 H new ATOM 482 N ASN A 30 -7.000 -2.464 -2.146 1.00 0.00 N ATOM 483 CA ASN A 30 -6.588 -1.120 -2.626 1.00 0.00 C ATOM 484 C ASN A 30 -7.808 -0.393 -3.232 1.00 0.00 C ATOM 485 O ASN A 30 -7.966 -0.294 -4.453 1.00 0.00 O ATOM 486 CB ASN A 30 -5.402 -1.227 -3.633 1.00 0.00 C ATOM 487 CG ASN A 30 -4.832 0.121 -4.109 1.00 0.00 C ATOM 488 OD1 ASN A 30 -4.355 0.233 -5.240 1.00 0.00 O ATOM 489 ND2 ASN A 30 -4.828 1.141 -3.252 1.00 0.00 N ATOM 0 H ASN A 30 -6.733 -3.227 -2.768 1.00 0.00 H new ATOM 0 HA ASN A 30 -6.227 -0.529 -1.785 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -4.600 -1.800 -3.168 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -5.734 -1.792 -4.504 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -4.425 2.037 -3.527 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -5.228 1.026 -2.321 1.00 0.00 H new ATOM 496 N ALA A 31 -8.693 0.065 -2.330 1.00 0.00 N ATOM 497 CA ALA A 31 -9.987 0.662 -2.676 1.00 0.00 C ATOM 498 C ALA A 31 -10.316 1.790 -1.697 1.00 0.00 C ATOM 499 O ALA A 31 -9.970 1.717 -0.509 1.00 0.00 O ATOM 500 CB ALA A 31 -11.086 -0.408 -2.651 1.00 0.00 C ATOM 0 H ALA A 31 -8.523 0.029 -1.325 1.00 0.00 H new ATOM 0 HA ALA A 31 -9.932 1.076 -3.683 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -12.042 0.047 -2.909 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -10.849 -1.190 -3.373 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -11.148 -0.842 -1.653 1.00 0.00 H new ATOM 506 N ALA A 32 -10.979 2.832 -2.219 1.00 0.00 N ATOM 507 CA ALA A 32 -11.488 3.954 -1.410 1.00 0.00 C ATOM 508 C ALA A 32 -12.842 3.578 -0.774 1.00 0.00 C ATOM 509 O ALA A 32 -13.258 4.170 0.225 1.00 0.00 O ATOM 510 CB ALA A 32 -11.617 5.209 -2.289 1.00 0.00 C ATOM 0 H ALA A 32 -11.179 2.923 -3.215 1.00 0.00 H new ATOM 0 HA ALA A 32 -10.786 4.169 -0.604 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -11.994 6.037 -1.688 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -10.640 5.471 -2.695 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -12.309 5.010 -3.107 1.00 0.00 H new ATOM 516 N SER A 33 -13.502 2.576 -1.379 1.00 0.00 N ATOM 517 CA SER A 33 -14.797 2.038 -0.937 1.00 0.00 C ATOM 518 C SER A 33 -15.028 0.674 -1.607 1.00 0.00 C ATOM 519 O SER A 33 -14.253 0.260 -2.475 1.00 0.00 O ATOM 520 CB SER A 33 -15.939 3.027 -1.293 1.00 0.00 C ATOM 521 OG SER A 33 -17.206 2.560 -0.859 1.00 0.00 O ATOM 0 H SER A 33 -13.140 2.107 -2.209 1.00 0.00 H new ATOM 0 HA SER A 33 -14.791 1.908 0.145 1.00 0.00 H new ATOM 0 HB2 SER A 33 -15.734 3.995 -0.836 1.00 0.00 H new ATOM 0 HB3 SER A 33 -15.961 3.182 -2.372 1.00 0.00 H new ATOM 0 HG SER A 33 -17.896 3.213 -1.101 1.00 0.00 H new ATOM 527 N SER A 34 -16.117 -0.010 -1.213 1.00 0.00 N ATOM 528 CA SER A 34 -16.549 -1.277 -1.837 1.00 0.00 C ATOM 529 C SER A 34 -17.065 -1.041 -3.279 1.00 0.00 C ATOM 530 O SER A 34 -17.214 -1.987 -4.062 1.00 0.00 O ATOM 531 CB SER A 34 -17.642 -1.931 -0.960 1.00 0.00 C ATOM 532 OG SER A 34 -18.687 -1.007 -0.665 1.00 0.00 O ATOM 0 H SER A 34 -16.723 0.299 -0.453 1.00 0.00 H new ATOM 0 HA SER A 34 -15.694 -1.949 -1.905 1.00 0.00 H new ATOM 0 HB2 SER A 34 -18.055 -2.798 -1.475 1.00 0.00 H new ATOM 0 HB3 SER A 34 -17.199 -2.292 -0.032 1.00 0.00 H new ATOM 0 HG SER A 34 -19.365 -1.446 -0.111 1.00 0.00 H new ATOM 538 N ASP A 35 -17.331 0.238 -3.610 1.00 0.00 N ATOM 539 CA ASP A 35 -17.738 0.653 -4.962 1.00 0.00 C ATOM 540 C ASP A 35 -16.509 0.757 -5.883 1.00 0.00 C ATOM 541 O ASP A 35 -16.631 0.663 -7.102 1.00 0.00 O ATOM 542 CB ASP A 35 -18.494 2.007 -4.902 1.00 0.00 C ATOM 543 CG ASP A 35 -19.351 2.274 -6.147 1.00 0.00 C ATOM 544 OD1 ASP A 35 -20.514 1.834 -6.175 1.00 0.00 O ATOM 545 OD2 ASP A 35 -18.869 2.904 -7.110 1.00 0.00 O ATOM 0 H ASP A 35 -17.269 1.010 -2.946 1.00 0.00 H new ATOM 0 HA ASP A 35 -18.411 -0.100 -5.373 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -19.133 2.021 -4.019 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -17.772 2.815 -4.786 1.00 0.00 H new ATOM 550 N TRP A 36 -15.310 0.881 -5.276 1.00 0.00 N ATOM 551 CA TRP A 36 -14.044 1.032 -6.010 1.00 0.00 C ATOM 552 C TRP A 36 -13.378 -0.332 -6.154 1.00 0.00 C ATOM 553 O TRP A 36 -13.257 -1.071 -5.177 1.00 0.00 O ATOM 554 CB TRP A 36 -13.093 2.017 -5.297 1.00 0.00 C ATOM 555 CG TRP A 36 -13.521 3.453 -5.443 1.00 0.00 C ATOM 556 CD1 TRP A 36 -14.335 4.166 -4.614 1.00 0.00 C ATOM 557 CD2 TRP A 36 -13.174 4.339 -6.517 1.00 0.00 C ATOM 558 NE1 TRP A 36 -14.499 5.436 -5.098 1.00 0.00 N ATOM 559 CE2 TRP A 36 -13.802 5.567 -6.266 1.00 0.00 C ATOM 560 CE3 TRP A 36 -12.388 4.206 -7.662 1.00 0.00 C ATOM 561 CZ2 TRP A 36 -13.670 6.659 -7.123 1.00 0.00 C ATOM 562 CZ3 TRP A 36 -12.256 5.285 -8.508 1.00 0.00 C ATOM 563 CH2 TRP A 36 -12.897 6.499 -8.237 1.00 0.00 C ATOM 0 H TRP A 36 -15.197 0.879 -4.262 1.00 0.00 H new ATOM 0 HA TRP A 36 -14.263 1.441 -6.996 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -13.043 1.764 -4.238 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -12.087 1.900 -5.701 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -14.784 3.785 -3.709 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -15.054 6.169 -4.656 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -11.891 3.272 -7.881 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -14.161 7.598 -6.913 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -11.648 5.192 -9.395 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -12.778 7.325 -8.922 1.00 0.00 H new ATOM 574 N HIS A 37 -12.974 -0.664 -7.382 1.00 0.00 N ATOM 575 CA HIS A 37 -12.362 -1.949 -7.727 1.00 0.00 C ATOM 576 C HIS A 37 -11.179 -1.680 -8.636 1.00 0.00 C ATOM 577 O HIS A 37 -11.321 -0.963 -9.634 1.00 0.00 O ATOM 578 CB HIS A 37 -13.376 -2.867 -8.449 1.00 0.00 C ATOM 579 CG HIS A 37 -14.604 -3.158 -7.638 1.00 0.00 C ATOM 580 ND1 HIS A 37 -14.680 -4.196 -6.742 1.00 0.00 N ATOM 581 CD2 HIS A 37 -15.773 -2.487 -7.533 1.00 0.00 C ATOM 582 CE1 HIS A 37 -15.842 -4.163 -6.131 1.00 0.00 C ATOM 583 NE2 HIS A 37 -16.528 -3.131 -6.587 1.00 0.00 N ATOM 0 H HIS A 37 -13.065 -0.035 -8.180 1.00 0.00 H new ATOM 0 HA HIS A 37 -12.041 -2.455 -6.816 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -13.673 -2.399 -9.388 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -12.886 -3.807 -8.702 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -16.059 -1.607 -8.091 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -16.180 -4.863 -5.381 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -17.464 -2.858 -6.286 1.00 0.00 H new ATOM 592 N THR A 38 -10.012 -2.227 -8.292 1.00 0.00 N ATOM 593 CA THR A 38 -8.826 -2.105 -9.127 1.00 0.00 C ATOM 594 C THR A 38 -8.984 -3.061 -10.324 1.00 0.00 C ATOM 595 O THR A 38 -8.824 -4.283 -10.193 1.00 0.00 O ATOM 596 CB THR A 38 -7.532 -2.412 -8.313 1.00 0.00 C ATOM 597 OG1 THR A 38 -7.509 -1.622 -7.110 1.00 0.00 O ATOM 598 CG2 THR A 38 -6.269 -2.117 -9.128 1.00 0.00 C ATOM 0 H THR A 38 -9.867 -2.761 -7.435 1.00 0.00 H new ATOM 0 HA THR A 38 -8.727 -1.082 -9.489 1.00 0.00 H new ATOM 0 HB THR A 38 -7.544 -3.474 -8.066 1.00 0.00 H new ATOM 0 HG1 THR A 38 -6.694 -1.821 -6.603 1.00 0.00 H new ATOM 0 HG21 THR A 38 -5.388 -2.343 -8.528 1.00 0.00 H new ATOM 0 HG22 THR A 38 -6.264 -2.734 -10.027 1.00 0.00 H new ATOM 0 HG23 THR A 38 -6.256 -1.064 -9.410 1.00 0.00 H new ATOM 606 N THR A 39 -9.360 -2.478 -11.470 1.00 0.00 N ATOM 607 CA THR A 39 -9.710 -3.212 -12.689 1.00 0.00 C ATOM 608 C THR A 39 -8.457 -3.517 -13.523 1.00 0.00 C ATOM 609 O THR A 39 -8.442 -4.473 -14.303 1.00 0.00 O ATOM 610 CB THR A 39 -10.741 -2.385 -13.517 1.00 0.00 C ATOM 611 OG1 THR A 39 -10.245 -1.045 -13.710 1.00 0.00 O ATOM 612 CG2 THR A 39 -12.110 -2.317 -12.820 1.00 0.00 C ATOM 0 H THR A 39 -9.430 -1.466 -11.576 1.00 0.00 H new ATOM 0 HA THR A 39 -10.161 -4.165 -12.412 1.00 0.00 H new ATOM 0 HB THR A 39 -10.871 -2.885 -14.477 1.00 0.00 H new ATOM 0 HG1 THR A 39 -10.894 -0.528 -14.232 1.00 0.00 H new ATOM 0 HG21 THR A 39 -12.800 -1.732 -13.429 1.00 0.00 H new ATOM 0 HG22 THR A 39 -12.504 -3.325 -12.693 1.00 0.00 H new ATOM 0 HG23 THR A 39 -11.998 -1.845 -11.844 1.00 0.00 H new ATOM 620 N GLY A 40 -7.414 -2.686 -13.352 1.00 0.00 N ATOM 621 CA GLY A 40 -6.089 -2.953 -13.912 1.00 0.00 C ATOM 622 C GLY A 40 -5.069 -3.067 -12.801 1.00 0.00 C ATOM 623 O GLY A 40 -4.491 -2.069 -12.377 1.00 0.00 O ATOM 0 H GLY A 40 -7.471 -1.816 -12.823 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -6.110 -3.875 -14.493 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -5.806 -2.152 -14.595 1.00 0.00 H new ATOM 627 N SER A 41 -4.882 -4.286 -12.281 1.00 0.00 N ATOM 628 CA SER A 41 -3.941 -4.552 -11.179 1.00 0.00 C ATOM 629 C SER A 41 -2.766 -5.409 -11.660 1.00 0.00 C ATOM 630 O SER A 41 -2.949 -6.558 -12.083 1.00 0.00 O ATOM 631 CB SER A 41 -4.677 -5.242 -10.019 1.00 0.00 C ATOM 632 OG SER A 41 -5.460 -6.330 -10.473 1.00 0.00 O ATOM 0 H SER A 41 -5.376 -5.116 -12.609 1.00 0.00 H new ATOM 0 HA SER A 41 -3.539 -3.602 -10.826 1.00 0.00 H new ATOM 0 HB2 SER A 41 -3.952 -5.596 -9.286 1.00 0.00 H new ATOM 0 HB3 SER A 41 -5.316 -4.519 -9.512 1.00 0.00 H new ATOM 0 HG SER A 41 -4.927 -6.887 -11.078 1.00 0.00 H new ATOM 638 N ARG A 42 -1.562 -4.833 -11.587 1.00 0.00 N ATOM 639 CA ARG A 42 -0.304 -5.534 -11.853 1.00 0.00 C ATOM 640 C ARG A 42 0.745 -5.031 -10.860 1.00 0.00 C ATOM 641 O ARG A 42 0.827 -3.826 -10.591 1.00 0.00 O ATOM 642 CB ARG A 42 0.163 -5.274 -13.311 1.00 0.00 C ATOM 643 CG ARG A 42 1.468 -5.998 -13.696 1.00 0.00 C ATOM 644 CD ARG A 42 1.945 -5.648 -15.109 1.00 0.00 C ATOM 645 NE ARG A 42 2.235 -4.209 -15.257 1.00 0.00 N ATOM 646 CZ ARG A 42 1.717 -3.400 -16.196 1.00 0.00 C ATOM 647 NH1 ARG A 42 0.870 -3.870 -17.107 1.00 0.00 N ATOM 648 NH2 ARG A 42 2.037 -2.116 -16.207 1.00 0.00 N ATOM 0 H ARG A 42 -1.433 -3.852 -11.338 1.00 0.00 H new ATOM 0 HA ARG A 42 -0.445 -6.608 -11.734 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -0.627 -5.585 -13.994 1.00 0.00 H new ATOM 0 HB3 ARG A 42 0.301 -4.202 -13.450 1.00 0.00 H new ATOM 0 HG2 ARG A 42 2.247 -5.739 -12.979 1.00 0.00 H new ATOM 0 HG3 ARG A 42 1.315 -7.075 -13.625 1.00 0.00 H new ATOM 0 HD2 ARG A 42 2.841 -6.224 -15.342 1.00 0.00 H new ATOM 0 HD3 ARG A 42 1.182 -5.940 -15.831 1.00 0.00 H new ATOM 0 HE ARG A 42 2.884 -3.793 -14.589 1.00 0.00 H new ATOM 0 HH11 ARG A 42 0.607 -4.855 -17.098 1.00 0.00 H new ATOM 0 HH12 ARG A 42 0.484 -3.245 -17.815 1.00 0.00 H new ATOM 0 HH21 ARG A 42 2.675 -1.743 -15.504 1.00 0.00 H new ATOM 0 HH22 ARG A 42 1.646 -1.499 -16.919 1.00 0.00 H new ATOM 662 N VAL A 43 1.516 -5.958 -10.282 1.00 0.00 N ATOM 663 CA VAL A 43 2.627 -5.635 -9.383 1.00 0.00 C ATOM 664 C VAL A 43 3.920 -6.208 -9.988 1.00 0.00 C ATOM 665 O VAL A 43 4.069 -7.425 -10.130 1.00 0.00 O ATOM 666 CB VAL A 43 2.397 -6.210 -7.934 1.00 0.00 C ATOM 667 CG1 VAL A 43 3.537 -5.801 -6.966 1.00 0.00 C ATOM 668 CG2 VAL A 43 1.016 -5.793 -7.373 1.00 0.00 C ATOM 0 H VAL A 43 1.385 -6.959 -10.426 1.00 0.00 H new ATOM 0 HA VAL A 43 2.699 -4.552 -9.284 1.00 0.00 H new ATOM 0 HB VAL A 43 2.410 -7.297 -8.015 1.00 0.00 H new ATOM 0 HG11 VAL A 43 3.342 -6.217 -5.978 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.487 -6.184 -7.340 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.585 -4.714 -6.899 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.890 -6.206 -6.372 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.955 -4.706 -7.327 1.00 0.00 H new ATOM 0 HG23 VAL A 43 0.229 -6.173 -8.024 1.00 0.00 H new ATOM 678 N ASP A 44 4.830 -5.311 -10.370 1.00 0.00 N ATOM 679 CA ASP A 44 6.149 -5.643 -10.936 1.00 0.00 C ATOM 680 C ASP A 44 7.187 -5.416 -9.815 1.00 0.00 C ATOM 681 O ASP A 44 7.928 -4.420 -9.819 1.00 0.00 O ATOM 682 CB ASP A 44 6.473 -4.745 -12.184 1.00 0.00 C ATOM 683 CG ASP A 44 5.355 -4.689 -13.249 1.00 0.00 C ATOM 684 OD1 ASP A 44 5.304 -5.575 -14.132 1.00 0.00 O ATOM 685 OD2 ASP A 44 4.521 -3.749 -13.221 1.00 0.00 O ATOM 0 H ASP A 44 4.671 -4.306 -10.295 1.00 0.00 H new ATOM 0 HA ASP A 44 6.168 -6.677 -11.282 1.00 0.00 H new ATOM 0 HB2 ASP A 44 6.680 -3.731 -11.841 1.00 0.00 H new ATOM 0 HB3 ASP A 44 7.385 -5.115 -12.653 1.00 0.00 H new ATOM 690 N LEU A 45 7.196 -6.322 -8.821 1.00 0.00 N ATOM 691 CA LEU A 45 7.910 -6.107 -7.547 1.00 0.00 C ATOM 692 C LEU A 45 9.408 -6.479 -7.650 1.00 0.00 C ATOM 693 O LEU A 45 9.805 -7.614 -7.362 1.00 0.00 O ATOM 694 CB LEU A 45 7.204 -6.898 -6.413 1.00 0.00 C ATOM 695 CG LEU A 45 7.770 -6.714 -4.974 1.00 0.00 C ATOM 696 CD1 LEU A 45 7.652 -5.252 -4.494 1.00 0.00 C ATOM 697 CD2 LEU A 45 7.087 -7.681 -3.985 1.00 0.00 C ATOM 0 H LEU A 45 6.712 -7.218 -8.876 1.00 0.00 H new ATOM 0 HA LEU A 45 7.874 -5.044 -7.311 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.152 -6.613 -6.404 1.00 0.00 H new ATOM 0 HB3 LEU A 45 7.245 -7.958 -6.662 1.00 0.00 H new ATOM 0 HG LEU A 45 8.832 -6.957 -5.008 1.00 0.00 H new ATOM 0 HD11 LEU A 45 8.058 -5.166 -3.486 1.00 0.00 H new ATOM 0 HD12 LEU A 45 8.211 -4.602 -5.167 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.604 -4.954 -4.490 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.500 -7.533 -2.987 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.015 -7.486 -3.967 1.00 0.00 H new ATOM 0 HD23 LEU A 45 7.263 -8.709 -4.301 1.00 0.00 H new ATOM 709 N VAL A 46 10.214 -5.514 -8.125 1.00 0.00 N ATOM 710 CA VAL A 46 11.694 -5.567 -8.113 1.00 0.00 C ATOM 711 C VAL A 46 12.237 -4.180 -7.735 1.00 0.00 C ATOM 712 O VAL A 46 11.476 -3.204 -7.682 1.00 0.00 O ATOM 713 CB VAL A 46 12.309 -6.018 -9.503 1.00 0.00 C ATOM 714 CG1 VAL A 46 12.072 -7.524 -9.771 1.00 0.00 C ATOM 715 CG2 VAL A 46 11.772 -5.159 -10.675 1.00 0.00 C ATOM 0 H VAL A 46 9.851 -4.655 -8.538 1.00 0.00 H new ATOM 0 HA VAL A 46 11.990 -6.317 -7.380 1.00 0.00 H new ATOM 0 HB VAL A 46 13.385 -5.856 -9.439 1.00 0.00 H new ATOM 0 HG11 VAL A 46 12.508 -7.795 -10.733 1.00 0.00 H new ATOM 0 HG12 VAL A 46 12.540 -8.112 -8.982 1.00 0.00 H new ATOM 0 HG13 VAL A 46 11.001 -7.726 -9.788 1.00 0.00 H new ATOM 0 HG21 VAL A 46 12.217 -5.500 -11.610 1.00 0.00 H new ATOM 0 HG22 VAL A 46 10.688 -5.258 -10.732 1.00 0.00 H new ATOM 0 HG23 VAL A 46 12.032 -4.114 -10.509 1.00 0.00 H new ATOM 725 N VAL A 47 13.543 -4.103 -7.429 1.00 0.00 N ATOM 726 CA VAL A 47 14.215 -2.816 -7.160 1.00 0.00 C ATOM 727 C VAL A 47 14.394 -2.074 -8.497 1.00 0.00 C ATOM 728 O VAL A 47 15.244 -2.443 -9.316 1.00 0.00 O ATOM 729 CB VAL A 47 15.608 -3.002 -6.448 1.00 0.00 C ATOM 730 CG1 VAL A 47 16.218 -1.632 -6.038 1.00 0.00 C ATOM 731 CG2 VAL A 47 15.485 -3.959 -5.240 1.00 0.00 C ATOM 0 H VAL A 47 14.156 -4.915 -7.361 1.00 0.00 H new ATOM 0 HA VAL A 47 13.593 -2.237 -6.477 1.00 0.00 H new ATOM 0 HB VAL A 47 16.295 -3.459 -7.161 1.00 0.00 H new ATOM 0 HG11 VAL A 47 17.179 -1.793 -5.549 1.00 0.00 H new ATOM 0 HG12 VAL A 47 16.362 -1.017 -6.926 1.00 0.00 H new ATOM 0 HG13 VAL A 47 15.542 -1.124 -5.350 1.00 0.00 H new ATOM 0 HG21 VAL A 47 16.459 -4.072 -4.765 1.00 0.00 H new ATOM 0 HG22 VAL A 47 14.776 -3.548 -4.521 1.00 0.00 H new ATOM 0 HG23 VAL A 47 15.133 -4.932 -5.581 1.00 0.00 H new ATOM 741 N GLY A 48 13.557 -1.054 -8.712 1.00 0.00 N ATOM 742 CA GLY A 48 13.438 -0.381 -10.007 1.00 0.00 C ATOM 743 C GLY A 48 12.236 -0.896 -10.781 1.00 0.00 C ATOM 744 O GLY A 48 12.128 -0.678 -11.986 1.00 0.00 O ATOM 0 H GLY A 48 12.943 -0.672 -7.992 1.00 0.00 H new ATOM 0 HA2 GLY A 48 13.343 0.694 -9.855 1.00 0.00 H new ATOM 0 HA3 GLY A 48 14.346 -0.542 -10.589 1.00 0.00 H new ATOM 748 N GLY A 49 11.341 -1.613 -10.070 1.00 0.00 N ATOM 749 CA GLY A 49 10.091 -2.107 -10.631 1.00 0.00 C ATOM 750 C GLY A 49 8.979 -1.098 -10.554 1.00 0.00 C ATOM 751 O GLY A 49 9.230 0.081 -10.378 1.00 0.00 O ATOM 0 H GLY A 49 11.476 -1.860 -9.090 1.00 0.00 H new ATOM 0 HA2 GLY A 49 10.251 -2.386 -11.672 1.00 0.00 H new ATOM 0 HA3 GLY A 49 9.792 -3.011 -10.101 1.00 0.00 H new ATOM 755 N ARG A 50 7.744 -1.562 -10.679 1.00 0.00 N ATOM 756 CA ARG A 50 6.581 -0.685 -10.854 1.00 0.00 C ATOM 757 C ARG A 50 5.310 -1.357 -10.334 1.00 0.00 C ATOM 758 O ARG A 50 5.205 -2.560 -10.352 1.00 0.00 O ATOM 759 CB ARG A 50 6.452 -0.389 -12.364 1.00 0.00 C ATOM 760 CG ARG A 50 5.229 0.441 -12.786 1.00 0.00 C ATOM 761 CD ARG A 50 5.006 0.353 -14.297 1.00 0.00 C ATOM 762 NE ARG A 50 4.932 -1.056 -14.722 1.00 0.00 N ATOM 763 CZ ARG A 50 5.135 -1.506 -15.959 1.00 0.00 C ATOM 764 NH1 ARG A 50 5.425 -0.683 -16.958 1.00 0.00 N ATOM 765 NH2 ARG A 50 5.073 -2.804 -16.186 1.00 0.00 N ATOM 0 H ARG A 50 7.513 -2.555 -10.663 1.00 0.00 H new ATOM 0 HA ARG A 50 6.714 0.237 -10.289 1.00 0.00 H new ATOM 0 HB2 ARG A 50 7.351 0.134 -12.690 1.00 0.00 H new ATOM 0 HB3 ARG A 50 6.424 -1.338 -12.899 1.00 0.00 H new ATOM 0 HG2 ARG A 50 4.343 0.083 -12.262 1.00 0.00 H new ATOM 0 HG3 ARG A 50 5.373 1.482 -12.495 1.00 0.00 H new ATOM 0 HD2 ARG A 50 4.085 0.870 -14.566 1.00 0.00 H new ATOM 0 HD3 ARG A 50 5.819 0.856 -14.821 1.00 0.00 H new ATOM 0 HE ARG A 50 4.706 -1.747 -14.007 1.00 0.00 H new ATOM 0 HH11 ARG A 50 5.497 0.320 -16.788 1.00 0.00 H new ATOM 0 HH12 ARG A 50 5.576 -1.053 -17.896 1.00 0.00 H new ATOM 0 HH21 ARG A 50 4.872 -3.447 -15.420 1.00 0.00 H new ATOM 0 HH22 ARG A 50 5.226 -3.165 -17.128 1.00 0.00 H new ATOM 779 N PHE A 51 4.357 -0.575 -9.841 1.00 0.00 N ATOM 780 CA PHE A 51 2.999 -1.056 -9.546 1.00 0.00 C ATOM 781 C PHE A 51 2.004 -0.231 -10.369 1.00 0.00 C ATOM 782 O PHE A 51 2.140 0.985 -10.462 1.00 0.00 O ATOM 783 CB PHE A 51 2.702 -0.977 -8.024 1.00 0.00 C ATOM 784 CG PHE A 51 2.814 0.426 -7.407 1.00 0.00 C ATOM 785 CD1 PHE A 51 4.052 0.954 -7.043 1.00 0.00 C ATOM 786 CD2 PHE A 51 1.682 1.211 -7.192 1.00 0.00 C ATOM 787 CE1 PHE A 51 4.149 2.213 -6.489 1.00 0.00 C ATOM 788 CE2 PHE A 51 1.779 2.469 -6.637 1.00 0.00 C ATOM 789 CZ PHE A 51 3.013 2.973 -6.283 1.00 0.00 C ATOM 0 H PHE A 51 4.497 0.413 -9.632 1.00 0.00 H new ATOM 0 HA PHE A 51 2.904 -2.106 -9.824 1.00 0.00 H new ATOM 0 HB2 PHE A 51 1.695 -1.355 -7.847 1.00 0.00 H new ATOM 0 HB3 PHE A 51 3.389 -1.642 -7.501 1.00 0.00 H new ATOM 0 HD1 PHE A 51 4.947 0.369 -7.197 1.00 0.00 H new ATOM 0 HD2 PHE A 51 0.711 0.826 -7.466 1.00 0.00 H new ATOM 0 HE1 PHE A 51 5.117 2.607 -6.215 1.00 0.00 H new ATOM 0 HE2 PHE A 51 0.889 3.060 -6.479 1.00 0.00 H new ATOM 0 HZ PHE A 51 3.091 3.958 -5.846 1.00 0.00 H new ATOM 799 N CYS A 52 1.045 -0.898 -11.013 1.00 0.00 N ATOM 800 CA CYS A 52 -0.017 -0.238 -11.783 1.00 0.00 C ATOM 801 C CYS A 52 -1.375 -0.672 -11.226 1.00 0.00 C ATOM 802 O CYS A 52 -1.758 -1.838 -11.372 1.00 0.00 O ATOM 803 CB CYS A 52 0.118 -0.610 -13.273 1.00 0.00 C ATOM 804 SG CYS A 52 1.706 -0.149 -13.997 1.00 0.00 S ATOM 0 H CYS A 52 0.981 -1.916 -11.017 1.00 0.00 H new ATOM 0 HA CYS A 52 0.068 0.845 -11.696 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -0.023 -1.685 -13.384 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -0.681 -0.124 -13.833 1.00 0.00 H new ATOM 0 HG CYS A 52 1.518 0.308 -15.199 1.00 0.00 H new ATOM 810 N HIS A 53 -2.064 0.237 -10.504 1.00 0.00 N ATOM 811 CA HIS A 53 -3.384 -0.054 -9.913 1.00 0.00 C ATOM 812 C HIS A 53 -4.427 0.958 -10.396 1.00 0.00 C ATOM 813 O HIS A 53 -4.617 2.003 -9.768 1.00 0.00 O ATOM 814 CB HIS A 53 -3.313 -0.039 -8.359 1.00 0.00 C ATOM 815 CG HIS A 53 -2.196 -0.860 -7.780 1.00 0.00 C ATOM 816 ND1 HIS A 53 -1.811 -2.083 -8.297 1.00 0.00 N ATOM 817 CD2 HIS A 53 -1.337 -0.591 -6.773 1.00 0.00 C ATOM 818 CE1 HIS A 53 -0.764 -2.523 -7.637 1.00 0.00 C ATOM 819 NE2 HIS A 53 -0.453 -1.637 -6.707 1.00 0.00 N ATOM 0 H HIS A 53 -1.725 1.181 -10.317 1.00 0.00 H new ATOM 0 HA HIS A 53 -3.682 -1.051 -10.238 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -3.202 0.992 -8.023 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -4.260 -0.404 -7.961 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -1.345 0.283 -6.139 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -0.245 -3.452 -7.823 1.00 0.00 H new ATOM 0 HE2 HIS A 53 0.320 -1.718 -6.047 1.00 0.00 H new ATOM 828 N HIS A 54 -5.102 0.664 -11.516 1.00 0.00 N ATOM 829 CA HIS A 54 -6.208 1.497 -11.982 1.00 0.00 C ATOM 830 C HIS A 54 -7.454 1.208 -11.135 1.00 0.00 C ATOM 831 O HIS A 54 -8.041 0.128 -11.231 1.00 0.00 O ATOM 832 CB HIS A 54 -6.510 1.286 -13.479 1.00 0.00 C ATOM 833 CG HIS A 54 -7.653 2.148 -13.970 1.00 0.00 C ATOM 834 ND1 HIS A 54 -7.602 3.524 -13.950 1.00 0.00 N ATOM 835 CD2 HIS A 54 -8.899 1.835 -14.406 1.00 0.00 C ATOM 836 CE1 HIS A 54 -8.754 4.016 -14.345 1.00 0.00 C ATOM 837 NE2 HIS A 54 -9.558 3.016 -14.632 1.00 0.00 N ATOM 0 H HIS A 54 -4.900 -0.140 -12.110 1.00 0.00 H new ATOM 0 HA HIS A 54 -5.915 2.541 -11.866 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -5.616 1.509 -14.061 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -6.750 0.237 -13.653 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -9.297 0.841 -14.548 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -8.999 5.065 -14.421 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -10.517 3.104 -14.968 1.00 0.00 H new ATOM 846 N MET A 55 -7.838 2.199 -10.333 1.00 0.00 N ATOM 847 CA MET A 55 -9.016 2.124 -9.460 1.00 0.00 C ATOM 848 C MET A 55 -10.229 2.628 -10.244 1.00 0.00 C ATOM 849 O MET A 55 -10.152 3.674 -10.877 1.00 0.00 O ATOM 850 CB MET A 55 -8.808 2.951 -8.165 1.00 0.00 C ATOM 851 CG MET A 55 -7.774 2.364 -7.197 1.00 0.00 C ATOM 852 SD MET A 55 -7.586 3.358 -5.692 1.00 0.00 S ATOM 853 CE MET A 55 -9.277 3.500 -5.109 1.00 0.00 C ATOM 0 H MET A 55 -7.338 3.086 -10.268 1.00 0.00 H new ATOM 0 HA MET A 55 -9.178 1.091 -9.153 1.00 0.00 H new ATOM 0 HB2 MET A 55 -8.500 3.960 -8.439 1.00 0.00 H new ATOM 0 HB3 MET A 55 -9.763 3.039 -7.647 1.00 0.00 H new ATOM 0 HG2 MET A 55 -8.071 1.351 -6.925 1.00 0.00 H new ATOM 0 HG3 MET A 55 -6.811 2.289 -7.701 1.00 0.00 H new ATOM 0 HE1 MET A 55 -9.280 3.601 -4.024 1.00 0.00 H new ATOM 0 HE2 MET A 55 -9.744 4.377 -5.557 1.00 0.00 H new ATOM 0 HE3 MET A 55 -9.835 2.608 -5.392 1.00 0.00 H new ATOM 863 N ALA A 56 -11.336 1.878 -10.215 1.00 0.00 N ATOM 864 CA ALA A 56 -12.544 2.200 -10.993 1.00 0.00 C ATOM 865 C ALA A 56 -13.802 1.979 -10.149 1.00 0.00 C ATOM 866 O ALA A 56 -13.999 0.891 -9.602 1.00 0.00 O ATOM 867 CB ALA A 56 -12.582 1.338 -12.262 1.00 0.00 C ATOM 0 H ALA A 56 -11.423 1.031 -9.653 1.00 0.00 H new ATOM 0 HA ALA A 56 -12.514 3.251 -11.280 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -13.476 1.577 -12.837 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -11.697 1.540 -12.866 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -12.599 0.284 -11.985 1.00 0.00 H new ATOM 873 N ALA A 57 -14.639 3.021 -10.034 1.00 0.00 N ATOM 874 CA ALA A 57 -15.937 2.934 -9.364 1.00 0.00 C ATOM 875 C ALA A 57 -16.918 2.108 -10.220 1.00 0.00 C ATOM 876 O ALA A 57 -16.782 2.063 -11.453 1.00 0.00 O ATOM 877 CB ALA A 57 -16.471 4.344 -9.089 1.00 0.00 C ATOM 0 H ALA A 57 -14.431 3.948 -10.405 1.00 0.00 H new ATOM 0 HA ALA A 57 -15.825 2.425 -8.407 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -17.438 4.276 -8.590 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -15.770 4.880 -8.450 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -16.586 4.880 -10.031 1.00 0.00 H new ATOM 883 N LYS A 58 -17.893 1.462 -9.560 1.00 0.00 N ATOM 884 CA LYS A 58 -18.844 0.521 -10.208 1.00 0.00 C ATOM 885 C LYS A 58 -19.737 1.197 -11.269 1.00 0.00 C ATOM 886 O LYS A 58 -20.274 0.506 -12.139 1.00 0.00 O ATOM 887 CB LYS A 58 -19.726 -0.211 -9.136 1.00 0.00 C ATOM 888 CG LYS A 58 -19.160 -1.561 -8.622 1.00 0.00 C ATOM 889 CD LYS A 58 -19.048 -2.613 -9.754 1.00 0.00 C ATOM 890 CE LYS A 58 -18.635 -4.011 -9.255 1.00 0.00 C ATOM 891 NZ LYS A 58 -19.674 -4.632 -8.392 1.00 0.00 N ATOM 0 H LYS A 58 -18.051 1.573 -8.558 1.00 0.00 H new ATOM 0 HA LYS A 58 -18.234 -0.215 -10.733 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -19.861 0.455 -8.284 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -20.714 -0.388 -9.562 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -18.177 -1.397 -8.181 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -19.804 -1.946 -7.831 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -20.007 -2.687 -10.266 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -18.320 -2.268 -10.489 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -18.443 -4.658 -10.111 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -17.701 -3.934 -8.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -19.406 -5.614 -8.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -19.756 -4.094 -7.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -20.588 -4.623 -8.888 1.00 0.00 H new ATOM 905 N ASP A 59 -19.918 2.526 -11.190 1.00 0.00 N ATOM 906 CA ASP A 59 -20.691 3.286 -12.207 1.00 0.00 C ATOM 907 C ASP A 59 -19.830 3.513 -13.470 1.00 0.00 C ATOM 908 O ASP A 59 -20.360 3.622 -14.583 1.00 0.00 O ATOM 909 CB ASP A 59 -21.200 4.619 -11.604 1.00 0.00 C ATOM 910 CG ASP A 59 -22.097 5.434 -12.555 1.00 0.00 C ATOM 911 OD1 ASP A 59 -23.316 5.163 -12.615 1.00 0.00 O ATOM 912 OD2 ASP A 59 -21.593 6.345 -13.248 1.00 0.00 O ATOM 0 H ASP A 59 -19.543 3.102 -10.437 1.00 0.00 H new ATOM 0 HA ASP A 59 -21.565 2.707 -12.506 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -21.756 4.404 -10.691 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -20.342 5.228 -11.319 1.00 0.00 H new ATOM 917 N GLY A 60 -18.497 3.548 -13.285 1.00 0.00 N ATOM 918 CA GLY A 60 -17.541 3.537 -14.404 1.00 0.00 C ATOM 919 C GLY A 60 -17.172 4.920 -14.940 1.00 0.00 C ATOM 920 O GLY A 60 -16.358 5.020 -15.867 1.00 0.00 O ATOM 0 H GLY A 60 -18.058 3.584 -12.365 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -16.630 3.032 -14.082 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -17.962 2.947 -15.218 1.00 0.00 H new ATOM 924 N SER A 61 -17.758 5.985 -14.373 1.00 0.00 N ATOM 925 CA SER A 61 -17.434 7.379 -14.762 1.00 0.00 C ATOM 926 C SER A 61 -16.224 7.890 -13.954 1.00 0.00 C ATOM 927 O SER A 61 -15.329 8.551 -14.494 1.00 0.00 O ATOM 928 CB SER A 61 -18.671 8.280 -14.566 1.00 0.00 C ATOM 929 OG SER A 61 -19.181 8.169 -13.250 1.00 0.00 O ATOM 0 H SER A 61 -18.463 5.914 -13.639 1.00 0.00 H new ATOM 0 HA SER A 61 -17.162 7.407 -15.817 1.00 0.00 H new ATOM 0 HB2 SER A 61 -18.405 9.317 -14.770 1.00 0.00 H new ATOM 0 HB3 SER A 61 -19.444 8.003 -15.283 1.00 0.00 H new ATOM 0 HG SER A 61 -19.963 7.579 -13.251 1.00 0.00 H new ATOM 935 N ALA A 62 -16.193 7.535 -12.659 1.00 0.00 N ATOM 936 CA ALA A 62 -15.089 7.873 -11.740 1.00 0.00 C ATOM 937 C ALA A 62 -14.047 6.747 -11.763 1.00 0.00 C ATOM 938 O ALA A 62 -14.392 5.581 -11.545 1.00 0.00 O ATOM 939 CB ALA A 62 -15.623 8.100 -10.313 1.00 0.00 C ATOM 0 H ALA A 62 -16.939 7.000 -12.215 1.00 0.00 H new ATOM 0 HA ALA A 62 -14.617 8.799 -12.068 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -14.794 8.348 -9.650 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -16.341 8.920 -10.319 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -16.112 7.193 -9.959 1.00 0.00 H new ATOM 945 N GLY A 63 -12.790 7.095 -12.082 1.00 0.00 N ATOM 946 CA GLY A 63 -11.699 6.128 -12.119 1.00 0.00 C ATOM 947 C GLY A 63 -10.345 6.796 -11.924 1.00 0.00 C ATOM 948 O GLY A 63 -9.942 7.613 -12.753 1.00 0.00 O ATOM 0 H GLY A 63 -12.511 8.047 -12.318 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -11.850 5.379 -11.341 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -11.711 5.603 -13.074 1.00 0.00 H new ATOM 952 N PHE A 64 -9.659 6.469 -10.812 1.00 0.00 N ATOM 953 CA PHE A 64 -8.306 6.981 -10.498 1.00 0.00 C ATOM 954 C PHE A 64 -7.216 5.993 -10.951 1.00 0.00 C ATOM 955 O PHE A 64 -7.507 4.875 -11.389 1.00 0.00 O ATOM 956 CB PHE A 64 -8.156 7.265 -8.979 1.00 0.00 C ATOM 957 CG PHE A 64 -8.928 8.497 -8.483 1.00 0.00 C ATOM 958 CD1 PHE A 64 -8.498 9.787 -8.818 1.00 0.00 C ATOM 959 CD2 PHE A 64 -10.066 8.380 -7.688 1.00 0.00 C ATOM 960 CE1 PHE A 64 -9.179 10.907 -8.377 1.00 0.00 C ATOM 961 CE2 PHE A 64 -10.748 9.504 -7.244 1.00 0.00 C ATOM 962 CZ PHE A 64 -10.302 10.766 -7.588 1.00 0.00 C ATOM 0 H PHE A 64 -10.028 5.838 -10.100 1.00 0.00 H new ATOM 0 HA PHE A 64 -8.179 7.915 -11.046 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -8.496 6.391 -8.423 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -7.099 7.398 -8.749 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -7.618 9.909 -9.432 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -10.423 7.399 -7.413 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -8.832 11.892 -8.650 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -11.629 9.392 -6.629 1.00 0.00 H new ATOM 0 HZ PHE A 64 -10.832 11.640 -7.240 1.00 0.00 H new ATOM 972 N ASP A 65 -5.951 6.432 -10.836 1.00 0.00 N ATOM 973 CA ASP A 65 -4.765 5.624 -11.176 1.00 0.00 C ATOM 974 C ASP A 65 -3.725 5.737 -10.056 1.00 0.00 C ATOM 975 O ASP A 65 -3.224 6.827 -9.768 1.00 0.00 O ATOM 976 CB ASP A 65 -4.153 6.066 -12.538 1.00 0.00 C ATOM 977 CG ASP A 65 -4.979 5.593 -13.746 1.00 0.00 C ATOM 978 OD1 ASP A 65 -5.898 6.309 -14.182 1.00 0.00 O ATOM 979 OD2 ASP A 65 -4.747 4.466 -14.224 1.00 0.00 O ATOM 0 H ASP A 65 -5.720 7.367 -10.501 1.00 0.00 H new ATOM 0 HA ASP A 65 -5.072 4.583 -11.276 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -4.076 7.153 -12.560 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -3.140 5.672 -12.620 1.00 0.00 H new ATOM 984 N PHE A 66 -3.439 4.601 -9.406 1.00 0.00 N ATOM 985 CA PHE A 66 -2.405 4.472 -8.363 1.00 0.00 C ATOM 986 C PHE A 66 -1.236 3.673 -8.940 1.00 0.00 C ATOM 987 O PHE A 66 -1.069 2.469 -8.684 1.00 0.00 O ATOM 988 CB PHE A 66 -2.989 3.817 -7.076 1.00 0.00 C ATOM 989 CG PHE A 66 -3.872 4.769 -6.263 1.00 0.00 C ATOM 990 CD1 PHE A 66 -5.058 5.288 -6.797 1.00 0.00 C ATOM 991 CD2 PHE A 66 -3.509 5.167 -4.977 1.00 0.00 C ATOM 992 CE1 PHE A 66 -5.843 6.162 -6.072 1.00 0.00 C ATOM 993 CE2 PHE A 66 -4.299 6.038 -4.249 1.00 0.00 C ATOM 994 CZ PHE A 66 -5.466 6.539 -4.797 1.00 0.00 C ATOM 0 H PHE A 66 -3.929 3.726 -9.592 1.00 0.00 H new ATOM 0 HA PHE A 66 -2.046 5.457 -8.065 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -3.572 2.940 -7.355 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -2.168 3.468 -6.449 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -5.363 5.000 -7.792 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -2.596 4.789 -4.542 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -6.754 6.552 -6.502 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -4.004 6.327 -3.251 1.00 0.00 H new ATOM 0 HZ PHE A 66 -6.081 7.223 -4.230 1.00 0.00 H new ATOM 1004 N THR A 67 -0.478 4.356 -9.804 1.00 0.00 N ATOM 1005 CA THR A 67 0.690 3.799 -10.489 1.00 0.00 C ATOM 1006 C THR A 67 1.958 4.459 -9.950 1.00 0.00 C ATOM 1007 O THR A 67 1.917 5.630 -9.576 1.00 0.00 O ATOM 1008 CB THR A 67 0.576 4.029 -12.033 1.00 0.00 C ATOM 1009 OG1 THR A 67 0.564 5.433 -12.339 1.00 0.00 O ATOM 1010 CG2 THR A 67 -0.698 3.404 -12.610 1.00 0.00 C ATOM 0 H THR A 67 -0.663 5.328 -10.050 1.00 0.00 H new ATOM 0 HA THR A 67 0.735 2.726 -10.304 1.00 0.00 H new ATOM 0 HB THR A 67 1.446 3.550 -12.483 1.00 0.00 H new ATOM 0 HG1 THR A 67 1.482 5.746 -12.477 1.00 0.00 H new ATOM 0 HG21 THR A 67 -0.739 3.586 -13.684 1.00 0.00 H new ATOM 0 HG22 THR A 67 -0.693 2.330 -12.424 1.00 0.00 H new ATOM 0 HG23 THR A 67 -1.571 3.850 -12.133 1.00 0.00 H new ATOM 1018 N GLY A 68 3.078 3.725 -9.926 1.00 0.00 N ATOM 1019 CA GLY A 68 4.346 4.264 -9.443 1.00 0.00 C ATOM 1020 C GLY A 68 5.487 3.274 -9.577 1.00 0.00 C ATOM 1021 O GLY A 68 5.283 2.169 -10.062 1.00 0.00 O ATOM 0 H GLY A 68 3.127 2.755 -10.237 1.00 0.00 H new ATOM 0 HA2 GLY A 68 4.588 5.169 -10.000 1.00 0.00 H new ATOM 0 HA3 GLY A 68 4.240 4.552 -8.397 1.00 0.00 H new ATOM 1025 N THR A 69 6.687 3.667 -9.128 1.00 0.00 N ATOM 1026 CA THR A 69 7.922 2.884 -9.287 1.00 0.00 C ATOM 1027 C THR A 69 8.493 2.460 -7.919 1.00 0.00 C ATOM 1028 O THR A 69 8.662 3.311 -7.040 1.00 0.00 O ATOM 1029 CB THR A 69 8.979 3.750 -10.054 1.00 0.00 C ATOM 1030 OG1 THR A 69 8.401 4.247 -11.267 1.00 0.00 O ATOM 1031 CG2 THR A 69 10.259 2.966 -10.402 1.00 0.00 C ATOM 0 H THR A 69 6.830 4.550 -8.637 1.00 0.00 H new ATOM 0 HA THR A 69 7.693 1.980 -9.852 1.00 0.00 H new ATOM 0 HB THR A 69 9.261 4.566 -9.388 1.00 0.00 H new ATOM 0 HG1 THR A 69 9.062 4.790 -11.746 1.00 0.00 H new ATOM 0 HG21 THR A 69 10.953 3.619 -10.932 1.00 0.00 H new ATOM 0 HG22 THR A 69 10.727 2.608 -9.485 1.00 0.00 H new ATOM 0 HG23 THR A 69 10.004 2.116 -11.035 1.00 0.00 H new ATOM 1039 N PHE A 70 8.787 1.150 -7.748 1.00 0.00 N ATOM 1040 CA PHE A 70 9.490 0.634 -6.559 1.00 0.00 C ATOM 1041 C PHE A 70 10.956 1.085 -6.600 1.00 0.00 C ATOM 1042 O PHE A 70 11.684 0.731 -7.523 1.00 0.00 O ATOM 1043 CB PHE A 70 9.416 -0.915 -6.473 1.00 0.00 C ATOM 1044 CG PHE A 70 8.000 -1.487 -6.327 1.00 0.00 C ATOM 1045 CD1 PHE A 70 7.267 -1.286 -5.156 1.00 0.00 C ATOM 1046 CD2 PHE A 70 7.405 -2.226 -7.346 1.00 0.00 C ATOM 1047 CE1 PHE A 70 5.992 -1.803 -5.014 1.00 0.00 C ATOM 1048 CE2 PHE A 70 6.131 -2.745 -7.202 1.00 0.00 C ATOM 1049 CZ PHE A 70 5.426 -2.533 -6.036 1.00 0.00 C ATOM 0 H PHE A 70 8.544 0.429 -8.427 1.00 0.00 H new ATOM 0 HA PHE A 70 8.999 1.037 -5.673 1.00 0.00 H new ATOM 0 HB2 PHE A 70 9.872 -1.336 -7.369 1.00 0.00 H new ATOM 0 HB3 PHE A 70 10.015 -1.246 -5.625 1.00 0.00 H new ATOM 0 HD1 PHE A 70 7.703 -0.717 -4.348 1.00 0.00 H new ATOM 0 HD2 PHE A 70 7.947 -2.397 -8.264 1.00 0.00 H new ATOM 0 HE1 PHE A 70 5.440 -1.634 -4.101 1.00 0.00 H new ATOM 0 HE2 PHE A 70 5.688 -3.317 -8.004 1.00 0.00 H new ATOM 0 HZ PHE A 70 4.431 -2.939 -5.924 1.00 0.00 H new ATOM 1059 N THR A 71 11.360 1.890 -5.616 1.00 0.00 N ATOM 1060 CA THR A 71 12.718 2.449 -5.537 1.00 0.00 C ATOM 1061 C THR A 71 13.682 1.495 -4.805 1.00 0.00 C ATOM 1062 O THR A 71 14.894 1.550 -5.023 1.00 0.00 O ATOM 1063 CB THR A 71 12.679 3.846 -4.835 1.00 0.00 C ATOM 1064 OG1 THR A 71 12.005 3.739 -3.575 1.00 0.00 O ATOM 1065 CG2 THR A 71 11.962 4.903 -5.695 1.00 0.00 C ATOM 0 H THR A 71 10.755 2.176 -4.846 1.00 0.00 H new ATOM 0 HA THR A 71 13.095 2.573 -6.552 1.00 0.00 H new ATOM 0 HB THR A 71 13.711 4.165 -4.690 1.00 0.00 H new ATOM 0 HG1 THR A 71 11.985 4.617 -3.139 1.00 0.00 H new ATOM 0 HG21 THR A 71 11.958 5.858 -5.169 1.00 0.00 H new ATOM 0 HG22 THR A 71 12.484 5.014 -6.645 1.00 0.00 H new ATOM 0 HG23 THR A 71 10.936 4.586 -5.880 1.00 0.00 H new ATOM 1073 N ARG A 72 13.128 0.612 -3.964 1.00 0.00 N ATOM 1074 CA ARG A 72 13.899 -0.382 -3.192 1.00 0.00 C ATOM 1075 C ARG A 72 12.949 -1.492 -2.712 1.00 0.00 C ATOM 1076 O ARG A 72 11.791 -1.227 -2.397 1.00 0.00 O ATOM 1077 CB ARG A 72 14.607 0.295 -1.973 1.00 0.00 C ATOM 1078 CG ARG A 72 15.306 -0.671 -0.992 1.00 0.00 C ATOM 1079 CD ARG A 72 15.684 -0.020 0.350 1.00 0.00 C ATOM 1080 NE ARG A 72 16.769 0.969 0.240 1.00 0.00 N ATOM 1081 CZ ARG A 72 17.636 1.281 1.229 1.00 0.00 C ATOM 1082 NH1 ARG A 72 17.566 0.675 2.417 1.00 0.00 N ATOM 1083 NH2 ARG A 72 18.568 2.200 1.015 1.00 0.00 N ATOM 0 H ARG A 72 12.123 0.564 -3.796 1.00 0.00 H new ATOM 0 HA ARG A 72 14.670 -0.814 -3.830 1.00 0.00 H new ATOM 0 HB2 ARG A 72 15.347 1.001 -2.350 1.00 0.00 H new ATOM 0 HB3 ARG A 72 13.867 0.874 -1.421 1.00 0.00 H new ATOM 0 HG2 ARG A 72 14.650 -1.520 -0.802 1.00 0.00 H new ATOM 0 HG3 ARG A 72 16.207 -1.064 -1.462 1.00 0.00 H new ATOM 0 HD2 ARG A 72 14.803 0.465 0.770 1.00 0.00 H new ATOM 0 HD3 ARG A 72 15.984 -0.799 1.051 1.00 0.00 H new ATOM 0 HE ARG A 72 16.875 1.456 -0.650 1.00 0.00 H new ATOM 0 HH11 ARG A 72 16.852 -0.033 2.587 1.00 0.00 H new ATOM 0 HH12 ARG A 72 18.227 0.920 3.154 1.00 0.00 H new ATOM 0 HH21 ARG A 72 18.627 2.666 0.109 1.00 0.00 H new ATOM 0 HH22 ARG A 72 19.226 2.441 1.756 1.00 0.00 H new ATOM 1097 N VAL A 73 13.443 -2.741 -2.676 1.00 0.00 N ATOM 1098 CA VAL A 73 12.683 -3.908 -2.188 1.00 0.00 C ATOM 1099 C VAL A 73 13.583 -4.711 -1.239 1.00 0.00 C ATOM 1100 O VAL A 73 14.545 -5.353 -1.681 1.00 0.00 O ATOM 1101 CB VAL A 73 12.177 -4.846 -3.363 1.00 0.00 C ATOM 1102 CG1 VAL A 73 11.407 -6.080 -2.818 1.00 0.00 C ATOM 1103 CG2 VAL A 73 11.311 -4.060 -4.376 1.00 0.00 C ATOM 0 H VAL A 73 14.387 -2.972 -2.986 1.00 0.00 H new ATOM 0 HA VAL A 73 11.795 -3.541 -1.674 1.00 0.00 H new ATOM 0 HB VAL A 73 13.060 -5.212 -3.887 1.00 0.00 H new ATOM 0 HG11 VAL A 73 11.076 -6.699 -3.651 1.00 0.00 H new ATOM 0 HG12 VAL A 73 12.064 -6.662 -2.172 1.00 0.00 H new ATOM 0 HG13 VAL A 73 10.540 -5.745 -2.248 1.00 0.00 H new ATOM 0 HG21 VAL A 73 10.980 -4.731 -5.169 1.00 0.00 H new ATOM 0 HG22 VAL A 73 10.442 -3.644 -3.866 1.00 0.00 H new ATOM 0 HG23 VAL A 73 11.900 -3.251 -4.808 1.00 0.00 H new ATOM 1113 N GLU A 74 13.301 -4.615 0.069 1.00 0.00 N ATOM 1114 CA GLU A 74 13.961 -5.437 1.098 1.00 0.00 C ATOM 1115 C GLU A 74 12.935 -6.443 1.627 1.00 0.00 C ATOM 1116 O GLU A 74 12.358 -6.261 2.700 1.00 0.00 O ATOM 1117 CB GLU A 74 14.536 -4.544 2.235 1.00 0.00 C ATOM 1118 CG GLU A 74 15.602 -3.536 1.771 1.00 0.00 C ATOM 1119 CD GLU A 74 16.202 -2.717 2.926 1.00 0.00 C ATOM 1120 OE1 GLU A 74 17.166 -3.185 3.562 1.00 0.00 O ATOM 1121 OE2 GLU A 74 15.700 -1.610 3.218 1.00 0.00 O ATOM 0 H GLU A 74 12.609 -3.966 0.444 1.00 0.00 H new ATOM 0 HA GLU A 74 14.808 -5.974 0.671 1.00 0.00 H new ATOM 0 HB2 GLU A 74 13.716 -3.999 2.702 1.00 0.00 H new ATOM 0 HB3 GLU A 74 14.969 -5.186 3.002 1.00 0.00 H new ATOM 0 HG2 GLU A 74 16.402 -4.072 1.260 1.00 0.00 H new ATOM 0 HG3 GLU A 74 15.158 -2.856 1.044 1.00 0.00 H new ATOM 1128 N ALA A 75 12.677 -7.480 0.826 1.00 0.00 N ATOM 1129 CA ALA A 75 11.639 -8.470 1.102 1.00 0.00 C ATOM 1130 C ALA A 75 12.037 -9.396 2.275 1.00 0.00 C ATOM 1131 O ALA A 75 13.208 -9.784 2.375 1.00 0.00 O ATOM 1132 CB ALA A 75 11.362 -9.276 -0.169 1.00 0.00 C ATOM 0 H ALA A 75 13.188 -7.655 -0.039 1.00 0.00 H new ATOM 0 HA ALA A 75 10.729 -7.952 1.404 1.00 0.00 H new ATOM 0 HB1 ALA A 75 10.588 -10.017 0.031 1.00 0.00 H new ATOM 0 HB2 ALA A 75 11.026 -8.605 -0.960 1.00 0.00 H new ATOM 0 HB3 ALA A 75 12.274 -9.781 -0.485 1.00 0.00 H new ATOM 1138 N PRO A 76 11.084 -9.748 3.202 1.00 0.00 N ATOM 1139 CA PRO A 76 9.688 -9.243 3.232 1.00 0.00 C ATOM 1140 C PRO A 76 9.491 -8.087 4.243 1.00 0.00 C ATOM 1141 O PRO A 76 8.359 -7.719 4.565 1.00 0.00 O ATOM 1142 CB PRO A 76 8.941 -10.515 3.685 1.00 0.00 C ATOM 1143 CG PRO A 76 9.872 -11.165 4.674 1.00 0.00 C ATOM 1144 CD PRO A 76 11.289 -10.727 4.301 1.00 0.00 C ATOM 0 HA PRO A 76 9.352 -8.817 2.287 1.00 0.00 H new ATOM 0 HB2 PRO A 76 7.983 -10.271 4.143 1.00 0.00 H new ATOM 0 HB3 PRO A 76 8.733 -11.175 2.843 1.00 0.00 H new ATOM 0 HG2 PRO A 76 9.629 -10.860 5.692 1.00 0.00 H new ATOM 0 HG3 PRO A 76 9.780 -12.250 4.636 1.00 0.00 H new ATOM 0 HD2 PRO A 76 11.803 -10.274 5.149 1.00 0.00 H new ATOM 0 HD3 PRO A 76 11.895 -11.572 3.975 1.00 0.00 H new ATOM 1152 N THR A 77 10.607 -7.512 4.711 1.00 0.00 N ATOM 1153 CA THR A 77 10.627 -6.665 5.916 1.00 0.00 C ATOM 1154 C THR A 77 10.524 -5.160 5.620 1.00 0.00 C ATOM 1155 O THR A 77 10.325 -4.366 6.549 1.00 0.00 O ATOM 1156 CB THR A 77 11.907 -6.963 6.765 1.00 0.00 C ATOM 1157 OG1 THR A 77 11.897 -6.216 8.000 1.00 0.00 O ATOM 1158 CG2 THR A 77 13.194 -6.654 5.987 1.00 0.00 C ATOM 0 H THR A 77 11.520 -7.619 4.268 1.00 0.00 H new ATOM 0 HA THR A 77 9.733 -6.924 6.483 1.00 0.00 H new ATOM 0 HB THR A 77 11.891 -8.029 6.992 1.00 0.00 H new ATOM 0 HG1 THR A 77 11.315 -5.434 7.904 1.00 0.00 H new ATOM 0 HG21 THR A 77 14.059 -6.875 6.612 1.00 0.00 H new ATOM 0 HG22 THR A 77 13.231 -7.267 5.087 1.00 0.00 H new ATOM 0 HG23 THR A 77 13.207 -5.600 5.709 1.00 0.00 H new ATOM 1166 N ARG A 78 10.636 -4.755 4.350 1.00 0.00 N ATOM 1167 CA ARG A 78 10.686 -3.325 3.992 1.00 0.00 C ATOM 1168 C ARG A 78 10.436 -3.144 2.492 1.00 0.00 C ATOM 1169 O ARG A 78 10.876 -3.957 1.676 1.00 0.00 O ATOM 1170 CB ARG A 78 12.064 -2.727 4.432 1.00 0.00 C ATOM 1171 CG ARG A 78 12.140 -1.185 4.542 1.00 0.00 C ATOM 1172 CD ARG A 78 12.414 -0.466 3.216 1.00 0.00 C ATOM 1173 NE ARG A 78 12.453 0.993 3.392 1.00 0.00 N ATOM 1174 CZ ARG A 78 13.560 1.746 3.455 1.00 0.00 C ATOM 1175 NH1 ARG A 78 14.768 1.208 3.357 1.00 0.00 N ATOM 1176 NH2 ARG A 78 13.430 3.047 3.606 1.00 0.00 N ATOM 0 H ARG A 78 10.694 -5.390 3.554 1.00 0.00 H new ATOM 0 HA ARG A 78 9.899 -2.784 4.517 1.00 0.00 H new ATOM 0 HB2 ARG A 78 12.328 -3.152 5.400 1.00 0.00 H new ATOM 0 HB3 ARG A 78 12.822 -3.057 3.722 1.00 0.00 H new ATOM 0 HG2 ARG A 78 11.201 -0.816 4.954 1.00 0.00 H new ATOM 0 HG3 ARG A 78 12.924 -0.922 5.252 1.00 0.00 H new ATOM 0 HD2 ARG A 78 13.363 -0.809 2.804 1.00 0.00 H new ATOM 0 HD3 ARG A 78 11.640 -0.726 2.493 1.00 0.00 H new ATOM 0 HE ARG A 78 11.558 1.475 3.473 1.00 0.00 H new ATOM 0 HH11 ARG A 78 14.869 0.201 3.231 1.00 0.00 H new ATOM 0 HH12 ARG A 78 15.596 1.801 3.408 1.00 0.00 H new ATOM 0 HH21 ARG A 78 12.501 3.462 3.673 1.00 0.00 H new ATOM 0 HH22 ARG A 78 14.258 3.640 3.657 1.00 0.00 H new ATOM 1190 N LEU A 79 9.731 -2.063 2.140 1.00 0.00 N ATOM 1191 CA LEU A 79 9.432 -1.720 0.751 1.00 0.00 C ATOM 1192 C LEU A 79 9.458 -0.198 0.576 1.00 0.00 C ATOM 1193 O LEU A 79 8.840 0.534 1.348 1.00 0.00 O ATOM 1194 CB LEU A 79 8.059 -2.317 0.351 1.00 0.00 C ATOM 1195 CG LEU A 79 7.674 -2.218 -1.153 1.00 0.00 C ATOM 1196 CD1 LEU A 79 8.794 -2.775 -2.058 1.00 0.00 C ATOM 1197 CD2 LEU A 79 6.326 -2.929 -1.429 1.00 0.00 C ATOM 0 H LEU A 79 9.351 -1.400 2.816 1.00 0.00 H new ATOM 0 HA LEU A 79 10.189 -2.145 0.092 1.00 0.00 H new ATOM 0 HB2 LEU A 79 8.047 -3.368 0.638 1.00 0.00 H new ATOM 0 HB3 LEU A 79 7.286 -1.818 0.935 1.00 0.00 H new ATOM 0 HG LEU A 79 7.551 -1.162 -1.395 1.00 0.00 H new ATOM 0 HD11 LEU A 79 8.493 -2.691 -3.102 1.00 0.00 H new ATOM 0 HD12 LEU A 79 9.709 -2.205 -1.897 1.00 0.00 H new ATOM 0 HD13 LEU A 79 8.971 -3.823 -1.815 1.00 0.00 H new ATOM 0 HD21 LEU A 79 6.080 -2.845 -2.488 1.00 0.00 H new ATOM 0 HD22 LEU A 79 6.408 -3.982 -1.158 1.00 0.00 H new ATOM 0 HD23 LEU A 79 5.540 -2.462 -0.836 1.00 0.00 H new ATOM 1209 N SER A 80 10.207 0.258 -0.428 1.00 0.00 N ATOM 1210 CA SER A 80 10.313 1.673 -0.797 1.00 0.00 C ATOM 1211 C SER A 80 9.757 1.844 -2.209 1.00 0.00 C ATOM 1212 O SER A 80 10.117 1.076 -3.113 1.00 0.00 O ATOM 1213 CB SER A 80 11.785 2.135 -0.758 1.00 0.00 C ATOM 1214 OG SER A 80 12.441 1.681 0.410 1.00 0.00 O ATOM 0 H SER A 80 10.768 -0.355 -1.019 1.00 0.00 H new ATOM 0 HA SER A 80 9.747 2.278 -0.089 1.00 0.00 H new ATOM 0 HB2 SER A 80 12.308 1.762 -1.638 1.00 0.00 H new ATOM 0 HB3 SER A 80 11.827 3.223 -0.800 1.00 0.00 H new ATOM 0 HG SER A 80 12.070 2.140 1.193 1.00 0.00 H new ATOM 1220 N PHE A 81 8.885 2.839 -2.400 1.00 0.00 N ATOM 1221 CA PHE A 81 8.326 3.169 -3.711 1.00 0.00 C ATOM 1222 C PHE A 81 7.839 4.613 -3.732 1.00 0.00 C ATOM 1223 O PHE A 81 7.673 5.238 -2.692 1.00 0.00 O ATOM 1224 CB PHE A 81 7.196 2.175 -4.127 1.00 0.00 C ATOM 1225 CG PHE A 81 6.096 1.902 -3.092 1.00 0.00 C ATOM 1226 CD1 PHE A 81 6.319 1.039 -2.023 1.00 0.00 C ATOM 1227 CD2 PHE A 81 4.829 2.465 -3.217 1.00 0.00 C ATOM 1228 CE1 PHE A 81 5.320 0.754 -1.120 1.00 0.00 C ATOM 1229 CE2 PHE A 81 3.830 2.182 -2.314 1.00 0.00 C ATOM 1230 CZ PHE A 81 4.075 1.324 -1.265 1.00 0.00 C ATOM 0 H PHE A 81 8.547 3.438 -1.647 1.00 0.00 H new ATOM 0 HA PHE A 81 9.120 3.067 -4.451 1.00 0.00 H new ATOM 0 HB2 PHE A 81 6.723 2.558 -5.031 1.00 0.00 H new ATOM 0 HB3 PHE A 81 7.660 1.224 -4.388 1.00 0.00 H new ATOM 0 HD1 PHE A 81 7.292 0.586 -1.900 1.00 0.00 H new ATOM 0 HD2 PHE A 81 4.626 3.137 -4.038 1.00 0.00 H new ATOM 0 HE1 PHE A 81 5.513 0.082 -0.297 1.00 0.00 H new ATOM 0 HE2 PHE A 81 2.855 2.632 -2.428 1.00 0.00 H new ATOM 0 HZ PHE A 81 3.291 1.098 -0.557 1.00 0.00 H new ATOM 1240 N VAL A 82 7.653 5.153 -4.937 1.00 0.00 N ATOM 1241 CA VAL A 82 7.117 6.502 -5.152 1.00 0.00 C ATOM 1242 C VAL A 82 5.996 6.388 -6.182 1.00 0.00 C ATOM 1243 O VAL A 82 6.085 5.570 -7.091 1.00 0.00 O ATOM 1244 CB VAL A 82 8.224 7.517 -5.660 1.00 0.00 C ATOM 1245 CG1 VAL A 82 7.652 8.949 -5.810 1.00 0.00 C ATOM 1246 CG2 VAL A 82 9.455 7.519 -4.722 1.00 0.00 C ATOM 0 H VAL A 82 7.872 4.661 -5.803 1.00 0.00 H new ATOM 0 HA VAL A 82 6.750 6.897 -4.205 1.00 0.00 H new ATOM 0 HB VAL A 82 8.547 7.178 -6.644 1.00 0.00 H new ATOM 0 HG11 VAL A 82 8.437 9.620 -6.160 1.00 0.00 H new ATOM 0 HG12 VAL A 82 6.834 8.941 -6.531 1.00 0.00 H new ATOM 0 HG13 VAL A 82 7.282 9.296 -4.845 1.00 0.00 H new ATOM 0 HG21 VAL A 82 10.197 8.225 -5.096 1.00 0.00 H new ATOM 0 HG22 VAL A 82 9.148 7.814 -3.719 1.00 0.00 H new ATOM 0 HG23 VAL A 82 9.889 6.520 -4.689 1.00 0.00 H new ATOM 1256 N MET A 83 4.944 7.188 -6.022 1.00 0.00 N ATOM 1257 CA MET A 83 3.845 7.258 -6.984 1.00 0.00 C ATOM 1258 C MET A 83 4.326 8.084 -8.196 1.00 0.00 C ATOM 1259 O MET A 83 5.180 8.959 -8.034 1.00 0.00 O ATOM 1260 CB MET A 83 2.618 7.927 -6.300 1.00 0.00 C ATOM 1261 CG MET A 83 1.290 7.842 -7.059 1.00 0.00 C ATOM 1262 SD MET A 83 0.589 6.177 -7.090 1.00 0.00 S ATOM 1263 CE MET A 83 0.300 5.836 -5.349 1.00 0.00 C ATOM 0 H MET A 83 4.829 7.808 -5.220 1.00 0.00 H new ATOM 0 HA MET A 83 3.548 6.265 -7.322 1.00 0.00 H new ATOM 0 HB2 MET A 83 2.482 7.471 -5.319 1.00 0.00 H new ATOM 0 HB3 MET A 83 2.850 8.979 -6.133 1.00 0.00 H new ATOM 0 HG2 MET A 83 0.573 8.522 -6.599 1.00 0.00 H new ATOM 0 HG3 MET A 83 1.442 8.184 -8.083 1.00 0.00 H new ATOM 0 HE1 MET A 83 -0.430 5.033 -5.252 1.00 0.00 H new ATOM 0 HE2 MET A 83 1.235 5.535 -4.877 1.00 0.00 H new ATOM 0 HE3 MET A 83 -0.081 6.733 -4.861 1.00 0.00 H new ATOM 1273 N ASP A 84 3.796 7.806 -9.396 1.00 0.00 N ATOM 1274 CA ASP A 84 4.087 8.603 -10.623 1.00 0.00 C ATOM 1275 C ASP A 84 3.601 10.060 -10.500 1.00 0.00 C ATOM 1276 O ASP A 84 3.996 10.924 -11.286 1.00 0.00 O ATOM 1277 CB ASP A 84 3.478 7.936 -11.889 1.00 0.00 C ATOM 1278 CG ASP A 84 4.218 6.659 -12.341 1.00 0.00 C ATOM 1279 OD1 ASP A 84 5.462 6.697 -12.466 1.00 0.00 O ATOM 1280 OD2 ASP A 84 3.567 5.639 -12.618 1.00 0.00 O ATOM 0 H ASP A 84 3.155 7.029 -9.556 1.00 0.00 H new ATOM 0 HA ASP A 84 5.172 8.624 -10.729 1.00 0.00 H new ATOM 0 HB2 ASP A 84 2.435 7.689 -11.691 1.00 0.00 H new ATOM 0 HB3 ASP A 84 3.485 8.657 -12.707 1.00 0.00 H new ATOM 1285 N ASP A 85 2.759 10.319 -9.492 1.00 0.00 N ATOM 1286 CA ASP A 85 2.289 11.672 -9.136 1.00 0.00 C ATOM 1287 C ASP A 85 3.373 12.441 -8.353 1.00 0.00 C ATOM 1288 O ASP A 85 3.387 13.669 -8.345 1.00 0.00 O ATOM 1289 CB ASP A 85 0.984 11.554 -8.307 1.00 0.00 C ATOM 1290 CG ASP A 85 0.448 12.904 -7.806 1.00 0.00 C ATOM 1291 OD1 ASP A 85 -0.221 13.624 -8.577 1.00 0.00 O ATOM 1292 OD2 ASP A 85 0.707 13.257 -6.643 1.00 0.00 O ATOM 0 H ASP A 85 2.378 9.589 -8.891 1.00 0.00 H new ATOM 0 HA ASP A 85 2.085 12.234 -10.047 1.00 0.00 H new ATOM 0 HB2 ASP A 85 0.219 11.073 -8.916 1.00 0.00 H new ATOM 0 HB3 ASP A 85 1.165 10.904 -7.451 1.00 0.00 H new ATOM 1297 N GLY A 86 4.302 11.685 -7.746 1.00 0.00 N ATOM 1298 CA GLY A 86 5.390 12.239 -6.932 1.00 0.00 C ATOM 1299 C GLY A 86 5.201 12.045 -5.425 1.00 0.00 C ATOM 1300 O GLY A 86 6.106 12.365 -4.640 1.00 0.00 O ATOM 0 H GLY A 86 4.317 10.667 -7.808 1.00 0.00 H new ATOM 0 HA2 GLY A 86 6.329 11.773 -7.233 1.00 0.00 H new ATOM 0 HA3 GLY A 86 5.481 13.305 -7.142 1.00 0.00 H new ATOM 1304 N ARG A 87 4.023 11.545 -5.006 1.00 0.00 N ATOM 1305 CA ARG A 87 3.781 11.173 -3.597 1.00 0.00 C ATOM 1306 C ARG A 87 4.579 9.906 -3.254 1.00 0.00 C ATOM 1307 O ARG A 87 4.240 8.817 -3.710 1.00 0.00 O ATOM 1308 CB ARG A 87 2.263 10.943 -3.343 1.00 0.00 C ATOM 1309 CG ARG A 87 1.355 12.181 -3.563 1.00 0.00 C ATOM 1310 CD ARG A 87 1.446 13.253 -2.453 1.00 0.00 C ATOM 1311 NE ARG A 87 2.775 13.891 -2.336 1.00 0.00 N ATOM 1312 CZ ARG A 87 3.245 14.881 -3.112 1.00 0.00 C ATOM 1313 NH1 ARG A 87 2.519 15.380 -4.110 1.00 0.00 N ATOM 1314 NH2 ARG A 87 4.448 15.367 -2.886 1.00 0.00 N ATOM 0 H ARG A 87 3.225 11.389 -5.621 1.00 0.00 H new ATOM 0 HA ARG A 87 4.112 11.989 -2.955 1.00 0.00 H new ATOM 0 HB2 ARG A 87 1.920 10.142 -3.997 1.00 0.00 H new ATOM 0 HB3 ARG A 87 2.132 10.596 -2.318 1.00 0.00 H new ATOM 0 HG2 ARG A 87 1.616 12.641 -4.516 1.00 0.00 H new ATOM 0 HG3 ARG A 87 0.321 11.847 -3.643 1.00 0.00 H new ATOM 0 HD2 ARG A 87 0.700 14.024 -2.646 1.00 0.00 H new ATOM 0 HD3 ARG A 87 1.190 12.794 -1.498 1.00 0.00 H new ATOM 0 HE ARG A 87 3.391 13.548 -1.599 1.00 0.00 H new ATOM 0 HH11 ARG A 87 1.587 15.010 -4.297 1.00 0.00 H new ATOM 0 HH12 ARG A 87 2.895 16.132 -4.688 1.00 0.00 H new ATOM 0 HH21 ARG A 87 5.015 14.991 -2.126 1.00 0.00 H new ATOM 0 HH22 ARG A 87 4.812 16.119 -3.471 1.00 0.00 H new ATOM 1328 N GLU A 88 5.646 10.064 -2.459 1.00 0.00 N ATOM 1329 CA GLU A 88 6.509 8.944 -2.039 1.00 0.00 C ATOM 1330 C GLU A 88 5.774 8.120 -0.973 1.00 0.00 C ATOM 1331 O GLU A 88 5.019 8.676 -0.197 1.00 0.00 O ATOM 1332 CB GLU A 88 7.856 9.484 -1.489 1.00 0.00 C ATOM 1333 CG GLU A 88 8.581 10.438 -2.457 1.00 0.00 C ATOM 1334 CD GLU A 88 9.919 10.962 -1.917 1.00 0.00 C ATOM 1335 OE1 GLU A 88 9.925 11.986 -1.206 1.00 0.00 O ATOM 1336 OE2 GLU A 88 10.973 10.353 -2.194 1.00 0.00 O ATOM 0 H GLU A 88 5.937 10.968 -2.088 1.00 0.00 H new ATOM 0 HA GLU A 88 6.728 8.305 -2.895 1.00 0.00 H new ATOM 0 HB2 GLU A 88 7.672 10.005 -0.549 1.00 0.00 H new ATOM 0 HB3 GLU A 88 8.511 8.642 -1.264 1.00 0.00 H new ATOM 0 HG2 GLU A 88 8.757 9.920 -3.400 1.00 0.00 H new ATOM 0 HG3 GLU A 88 7.930 11.285 -2.675 1.00 0.00 H new ATOM 1343 N VAL A 89 5.948 6.794 -0.976 1.00 0.00 N ATOM 1344 CA VAL A 89 5.308 5.883 -0.001 1.00 0.00 C ATOM 1345 C VAL A 89 6.317 4.786 0.390 1.00 0.00 C ATOM 1346 O VAL A 89 6.725 3.979 -0.452 1.00 0.00 O ATOM 1347 CB VAL A 89 3.994 5.204 -0.567 1.00 0.00 C ATOM 1348 CG1 VAL A 89 3.261 4.425 0.546 1.00 0.00 C ATOM 1349 CG2 VAL A 89 3.047 6.225 -1.234 1.00 0.00 C ATOM 0 H VAL A 89 6.538 6.313 -1.655 1.00 0.00 H new ATOM 0 HA VAL A 89 5.016 6.479 0.864 1.00 0.00 H new ATOM 0 HB VAL A 89 4.304 4.503 -1.342 1.00 0.00 H new ATOM 0 HG11 VAL A 89 2.361 3.966 0.137 1.00 0.00 H new ATOM 0 HG12 VAL A 89 3.917 3.649 0.940 1.00 0.00 H new ATOM 0 HG13 VAL A 89 2.986 5.109 1.349 1.00 0.00 H new ATOM 0 HG21 VAL A 89 2.161 5.710 -1.606 1.00 0.00 H new ATOM 0 HG22 VAL A 89 2.750 6.977 -0.503 1.00 0.00 H new ATOM 0 HG23 VAL A 89 3.561 6.709 -2.064 1.00 0.00 H new ATOM 1359 N ASP A 90 6.697 4.749 1.666 1.00 0.00 N ATOM 1360 CA ASP A 90 7.707 3.818 2.182 1.00 0.00 C ATOM 1361 C ASP A 90 7.085 2.984 3.301 1.00 0.00 C ATOM 1362 O ASP A 90 6.839 3.493 4.400 1.00 0.00 O ATOM 1363 CB ASP A 90 8.936 4.595 2.701 1.00 0.00 C ATOM 1364 CG ASP A 90 10.071 3.666 3.145 1.00 0.00 C ATOM 1365 OD1 ASP A 90 10.816 3.190 2.287 1.00 0.00 O ATOM 1366 OD2 ASP A 90 10.216 3.391 4.347 1.00 0.00 O ATOM 0 H ASP A 90 6.311 5.368 2.379 1.00 0.00 H new ATOM 0 HA ASP A 90 8.041 3.157 1.382 1.00 0.00 H new ATOM 0 HB2 ASP A 90 9.300 5.259 1.917 1.00 0.00 H new ATOM 0 HB3 ASP A 90 8.637 5.225 3.539 1.00 0.00 H new ATOM 1371 N VAL A 91 6.825 1.705 3.021 1.00 0.00 N ATOM 1372 CA VAL A 91 6.127 0.809 3.946 1.00 0.00 C ATOM 1373 C VAL A 91 7.091 -0.273 4.449 1.00 0.00 C ATOM 1374 O VAL A 91 7.556 -1.104 3.666 1.00 0.00 O ATOM 1375 CB VAL A 91 4.882 0.139 3.254 1.00 0.00 C ATOM 1376 CG1 VAL A 91 3.999 -0.594 4.287 1.00 0.00 C ATOM 1377 CG2 VAL A 91 4.069 1.177 2.449 1.00 0.00 C ATOM 0 H VAL A 91 7.094 1.260 2.143 1.00 0.00 H new ATOM 0 HA VAL A 91 5.770 1.399 4.790 1.00 0.00 H new ATOM 0 HB VAL A 91 5.250 -0.607 2.550 1.00 0.00 H new ATOM 0 HG11 VAL A 91 3.147 -1.047 3.781 1.00 0.00 H new ATOM 0 HG12 VAL A 91 4.584 -1.371 4.779 1.00 0.00 H new ATOM 0 HG13 VAL A 91 3.642 0.118 5.031 1.00 0.00 H new ATOM 0 HG21 VAL A 91 3.215 0.687 1.982 1.00 0.00 H new ATOM 0 HG22 VAL A 91 3.716 1.961 3.119 1.00 0.00 H new ATOM 0 HG23 VAL A 91 4.702 1.616 1.678 1.00 0.00 H new ATOM 1387 N GLN A 92 7.383 -0.253 5.753 1.00 0.00 N ATOM 1388 CA GLN A 92 8.216 -1.272 6.402 1.00 0.00 C ATOM 1389 C GLN A 92 7.306 -2.284 7.113 1.00 0.00 C ATOM 1390 O GLN A 92 6.330 -1.909 7.770 1.00 0.00 O ATOM 1391 CB GLN A 92 9.217 -0.641 7.403 1.00 0.00 C ATOM 1392 CG GLN A 92 8.577 0.102 8.599 1.00 0.00 C ATOM 1393 CD GLN A 92 9.586 0.651 9.610 1.00 0.00 C ATOM 1394 OE1 GLN A 92 10.677 0.111 9.780 1.00 0.00 O ATOM 1395 NE2 GLN A 92 9.216 1.715 10.312 1.00 0.00 N ATOM 0 H GLN A 92 7.049 0.470 6.390 1.00 0.00 H new ATOM 0 HA GLN A 92 8.805 -1.779 5.638 1.00 0.00 H new ATOM 0 HB2 GLN A 92 9.864 -1.429 7.790 1.00 0.00 H new ATOM 0 HB3 GLN A 92 9.855 0.058 6.862 1.00 0.00 H new ATOM 0 HG2 GLN A 92 7.975 0.927 8.219 1.00 0.00 H new ATOM 0 HG3 GLN A 92 7.898 -0.578 9.113 1.00 0.00 H new ATOM 0 HE21 GLN A 92 8.304 2.142 10.149 1.00 0.00 H new ATOM 0 HE22 GLN A 92 9.844 2.106 11.015 1.00 0.00 H new ATOM 1404 N PHE A 93 7.604 -3.563 6.922 1.00 0.00 N ATOM 1405 CA PHE A 93 6.861 -4.675 7.522 1.00 0.00 C ATOM 1406 C PHE A 93 7.764 -5.321 8.578 1.00 0.00 C ATOM 1407 O PHE A 93 8.673 -6.073 8.251 1.00 0.00 O ATOM 1408 CB PHE A 93 6.456 -5.698 6.424 1.00 0.00 C ATOM 1409 CG PHE A 93 5.705 -5.081 5.233 1.00 0.00 C ATOM 1410 CD1 PHE A 93 6.398 -4.495 4.171 1.00 0.00 C ATOM 1411 CD2 PHE A 93 4.317 -5.083 5.176 1.00 0.00 C ATOM 1412 CE1 PHE A 93 5.724 -3.942 3.099 1.00 0.00 C ATOM 1413 CE2 PHE A 93 3.640 -4.530 4.102 1.00 0.00 C ATOM 1414 CZ PHE A 93 4.345 -3.962 3.063 1.00 0.00 C ATOM 0 H PHE A 93 8.382 -3.867 6.336 1.00 0.00 H new ATOM 0 HA PHE A 93 5.942 -4.322 7.991 1.00 0.00 H new ATOM 0 HB2 PHE A 93 7.354 -6.193 6.055 1.00 0.00 H new ATOM 0 HB3 PHE A 93 5.830 -6.468 6.874 1.00 0.00 H new ATOM 0 HD1 PHE A 93 7.478 -4.474 4.188 1.00 0.00 H new ATOM 0 HD2 PHE A 93 3.755 -5.525 5.985 1.00 0.00 H new ATOM 0 HE1 PHE A 93 6.278 -3.493 2.288 1.00 0.00 H new ATOM 0 HE2 PHE A 93 2.560 -4.544 4.079 1.00 0.00 H new ATOM 0 HZ PHE A 93 3.819 -3.534 2.223 1.00 0.00 H new ATOM 1424 N ALA A 94 7.556 -4.972 9.839 1.00 0.00 N ATOM 1425 CA ALA A 94 8.369 -5.491 10.945 1.00 0.00 C ATOM 1426 C ALA A 94 7.744 -6.795 11.447 1.00 0.00 C ATOM 1427 O ALA A 94 6.638 -6.767 11.963 1.00 0.00 O ATOM 1428 CB ALA A 94 8.469 -4.448 12.072 1.00 0.00 C ATOM 0 H ALA A 94 6.824 -4.324 10.131 1.00 0.00 H new ATOM 0 HA ALA A 94 9.382 -5.694 10.599 1.00 0.00 H new ATOM 0 HB1 ALA A 94 9.075 -4.848 12.885 1.00 0.00 H new ATOM 0 HB2 ALA A 94 8.932 -3.540 11.687 1.00 0.00 H new ATOM 0 HB3 ALA A 94 7.471 -4.217 12.443 1.00 0.00 H new ATOM 1434 N SER A 95 8.419 -7.935 11.233 1.00 0.00 N ATOM 1435 CA SER A 95 7.992 -9.228 11.792 1.00 0.00 C ATOM 1436 C SER A 95 8.128 -9.194 13.324 1.00 0.00 C ATOM 1437 O SER A 95 9.217 -8.953 13.856 1.00 0.00 O ATOM 1438 CB SER A 95 8.804 -10.382 11.175 1.00 0.00 C ATOM 1439 OG SER A 95 10.202 -10.182 11.322 1.00 0.00 O ATOM 0 H SER A 95 9.269 -7.987 10.672 1.00 0.00 H new ATOM 0 HA SER A 95 6.945 -9.403 11.543 1.00 0.00 H new ATOM 0 HB2 SER A 95 8.519 -11.321 11.650 1.00 0.00 H new ATOM 0 HB3 SER A 95 8.559 -10.473 10.117 1.00 0.00 H new ATOM 0 HG SER A 95 10.382 -9.753 12.184 1.00 0.00 H new ATOM 1445 N GLU A 96 7.010 -9.440 14.009 1.00 0.00 N ATOM 1446 CA GLU A 96 6.848 -9.195 15.452 1.00 0.00 C ATOM 1447 C GLU A 96 6.406 -10.467 16.188 1.00 0.00 C ATOM 1448 O GLU A 96 5.784 -11.342 15.585 1.00 0.00 O ATOM 1449 CB GLU A 96 5.788 -8.080 15.653 1.00 0.00 C ATOM 1450 CG GLU A 96 6.222 -6.701 15.151 1.00 0.00 C ATOM 1451 CD GLU A 96 7.376 -6.106 15.968 1.00 0.00 C ATOM 1452 OE1 GLU A 96 7.124 -5.614 17.086 1.00 0.00 O ATOM 1453 OE2 GLU A 96 8.541 -6.140 15.516 1.00 0.00 O ATOM 0 H GLU A 96 6.172 -9.823 13.572 1.00 0.00 H new ATOM 0 HA GLU A 96 7.808 -8.887 15.865 1.00 0.00 H new ATOM 0 HB2 GLU A 96 4.872 -8.369 15.139 1.00 0.00 H new ATOM 0 HB3 GLU A 96 5.549 -8.009 16.714 1.00 0.00 H new ATOM 0 HG2 GLU A 96 6.525 -6.778 14.107 1.00 0.00 H new ATOM 0 HG3 GLU A 96 5.370 -6.022 15.187 1.00 0.00 H new ATOM 1460 N PRO A 97 6.694 -10.578 17.527 1.00 0.00 N ATOM 1461 CA PRO A 97 6.185 -11.692 18.368 1.00 0.00 C ATOM 1462 C PRO A 97 4.634 -11.703 18.444 1.00 0.00 C ATOM 1463 O PRO A 97 4.018 -12.749 18.684 1.00 0.00 O ATOM 1464 CB PRO A 97 6.832 -11.420 19.755 1.00 0.00 C ATOM 1465 CG PRO A 97 7.195 -9.967 19.740 1.00 0.00 C ATOM 1466 CD PRO A 97 7.559 -9.651 18.312 1.00 0.00 C ATOM 0 HA PRO A 97 6.441 -12.673 17.967 1.00 0.00 H new ATOM 0 HB2 PRO A 97 6.137 -11.644 20.564 1.00 0.00 H new ATOM 0 HB3 PRO A 97 7.712 -12.044 19.908 1.00 0.00 H new ATOM 0 HG2 PRO A 97 6.361 -9.352 20.076 1.00 0.00 H new ATOM 0 HG3 PRO A 97 8.030 -9.765 20.411 1.00 0.00 H new ATOM 0 HD2 PRO A 97 7.358 -8.608 18.067 1.00 0.00 H new ATOM 0 HD3 PRO A 97 8.617 -9.826 18.118 1.00 0.00 H new ATOM 1474 N GLY A 98 4.028 -10.516 18.247 1.00 0.00 N ATOM 1475 CA GLY A 98 2.570 -10.352 18.235 1.00 0.00 C ATOM 1476 C GLY A 98 1.954 -10.349 16.841 1.00 0.00 C ATOM 1477 O GLY A 98 0.725 -10.345 16.716 1.00 0.00 O ATOM 0 H GLY A 98 4.539 -9.647 18.092 1.00 0.00 H new ATOM 0 HA2 GLY A 98 2.120 -11.156 18.817 1.00 0.00 H new ATOM 0 HA3 GLY A 98 2.317 -9.417 18.734 1.00 0.00 H new ATOM 1481 N GLY A 99 2.792 -10.321 15.788 1.00 0.00 N ATOM 1482 CA GLY A 99 2.305 -10.387 14.402 1.00 0.00 C ATOM 1483 C GLY A 99 3.257 -9.725 13.413 1.00 0.00 C ATOM 1484 O GLY A 99 4.350 -10.231 13.182 1.00 0.00 O ATOM 0 H GLY A 99 3.806 -10.253 15.873 1.00 0.00 H new ATOM 0 HA2 GLY A 99 2.163 -11.430 14.120 1.00 0.00 H new ATOM 0 HA3 GLY A 99 1.330 -9.904 14.340 1.00 0.00 H new ATOM 1488 N THR A 100 2.832 -8.591 12.832 1.00 0.00 N ATOM 1489 CA THR A 100 3.608 -7.807 11.861 1.00 0.00 C ATOM 1490 C THR A 100 3.227 -6.323 12.007 1.00 0.00 C ATOM 1491 O THR A 100 2.078 -5.944 11.734 1.00 0.00 O ATOM 1492 CB THR A 100 3.363 -8.260 10.377 1.00 0.00 C ATOM 1493 OG1 THR A 100 3.660 -9.653 10.232 1.00 0.00 O ATOM 1494 CG2 THR A 100 4.223 -7.458 9.373 1.00 0.00 C ATOM 0 H THR A 100 1.917 -8.186 13.030 1.00 0.00 H new ATOM 0 HA THR A 100 4.664 -7.968 12.075 1.00 0.00 H new ATOM 0 HB THR A 100 2.313 -8.071 10.155 1.00 0.00 H new ATOM 0 HG1 THR A 100 2.908 -10.184 10.568 1.00 0.00 H new ATOM 0 HG21 THR A 100 4.020 -7.806 8.360 1.00 0.00 H new ATOM 0 HG22 THR A 100 3.978 -6.399 9.449 1.00 0.00 H new ATOM 0 HG23 THR A 100 5.279 -7.603 9.601 1.00 0.00 H new ATOM 1502 N TRP A 101 4.181 -5.502 12.460 1.00 0.00 N ATOM 1503 CA TRP A 101 4.009 -4.054 12.563 1.00 0.00 C ATOM 1504 C TRP A 101 4.283 -3.401 11.199 1.00 0.00 C ATOM 1505 O TRP A 101 5.434 -3.166 10.816 1.00 0.00 O ATOM 1506 CB TRP A 101 4.935 -3.478 13.653 1.00 0.00 C ATOM 1507 CG TRP A 101 4.824 -1.984 13.829 1.00 0.00 C ATOM 1508 CD1 TRP A 101 3.699 -1.290 14.155 1.00 0.00 C ATOM 1509 CD2 TRP A 101 5.863 -1.010 13.663 1.00 0.00 C ATOM 1510 NE1 TRP A 101 3.982 0.043 14.254 1.00 0.00 N ATOM 1511 CE2 TRP A 101 5.301 0.245 13.947 1.00 0.00 C ATOM 1512 CE3 TRP A 101 7.213 -1.083 13.314 1.00 0.00 C ATOM 1513 CZ2 TRP A 101 6.039 1.417 13.895 1.00 0.00 C ATOM 1514 CZ3 TRP A 101 7.948 0.084 13.257 1.00 0.00 C ATOM 1515 CH2 TRP A 101 7.360 1.323 13.549 1.00 0.00 C ATOM 0 H TRP A 101 5.098 -5.828 12.766 1.00 0.00 H new ATOM 0 HA TRP A 101 2.981 -3.834 12.851 1.00 0.00 H new ATOM 0 HB2 TRP A 101 4.707 -3.963 14.602 1.00 0.00 H new ATOM 0 HB3 TRP A 101 5.967 -3.728 13.407 1.00 0.00 H new ATOM 0 HD1 TRP A 101 2.725 -1.729 14.312 1.00 0.00 H new ATOM 0 HE1 TRP A 101 3.317 0.771 14.515 1.00 0.00 H new ATOM 0 HE3 TRP A 101 7.673 -2.035 13.093 1.00 0.00 H new ATOM 0 HZ2 TRP A 101 5.587 2.372 14.120 1.00 0.00 H new ATOM 0 HZ3 TRP A 101 8.992 0.042 12.983 1.00 0.00 H new ATOM 0 HH2 TRP A 101 7.960 2.219 13.500 1.00 0.00 H new ATOM 1526 N VAL A 102 3.202 -3.139 10.476 1.00 0.00 N ATOM 1527 CA VAL A 102 3.231 -2.487 9.170 1.00 0.00 C ATOM 1528 C VAL A 102 3.133 -0.978 9.376 1.00 0.00 C ATOM 1529 O VAL A 102 2.128 -0.484 9.877 1.00 0.00 O ATOM 1530 CB VAL A 102 2.052 -2.999 8.264 1.00 0.00 C ATOM 1531 CG1 VAL A 102 2.053 -2.320 6.873 1.00 0.00 C ATOM 1532 CG2 VAL A 102 2.109 -4.536 8.135 1.00 0.00 C ATOM 0 H VAL A 102 2.260 -3.378 10.786 1.00 0.00 H new ATOM 0 HA VAL A 102 4.165 -2.730 8.662 1.00 0.00 H new ATOM 0 HB VAL A 102 1.115 -2.723 8.747 1.00 0.00 H new ATOM 0 HG11 VAL A 102 1.222 -2.703 6.280 1.00 0.00 H new ATOM 0 HG12 VAL A 102 1.945 -1.242 6.994 1.00 0.00 H new ATOM 0 HG13 VAL A 102 2.992 -2.536 6.363 1.00 0.00 H new ATOM 0 HG21 VAL A 102 1.288 -4.879 7.506 1.00 0.00 H new ATOM 0 HG22 VAL A 102 3.058 -4.828 7.685 1.00 0.00 H new ATOM 0 HG23 VAL A 102 2.022 -4.988 9.123 1.00 0.00 H new ATOM 1542 N GLN A 103 4.183 -0.266 8.989 1.00 0.00 N ATOM 1543 CA GLN A 103 4.290 1.179 9.171 1.00 0.00 C ATOM 1544 C GLN A 103 4.552 1.816 7.807 1.00 0.00 C ATOM 1545 O GLN A 103 5.613 1.609 7.207 1.00 0.00 O ATOM 1546 CB GLN A 103 5.409 1.515 10.199 1.00 0.00 C ATOM 1547 CG GLN A 103 5.421 2.980 10.715 1.00 0.00 C ATOM 1548 CD GLN A 103 5.973 4.027 9.738 1.00 0.00 C ATOM 1549 OE1 GLN A 103 5.527 5.174 9.726 1.00 0.00 O ATOM 1550 NE2 GLN A 103 6.959 3.653 8.930 1.00 0.00 N ATOM 0 H GLN A 103 4.996 -0.680 8.533 1.00 0.00 H new ATOM 0 HA GLN A 103 3.362 1.584 9.576 1.00 0.00 H new ATOM 0 HB2 GLN A 103 5.306 0.847 11.054 1.00 0.00 H new ATOM 0 HB3 GLN A 103 6.375 1.301 9.742 1.00 0.00 H new ATOM 0 HG2 GLN A 103 4.402 3.260 10.981 1.00 0.00 H new ATOM 0 HG3 GLN A 103 6.011 3.018 11.631 1.00 0.00 H new ATOM 0 HE21 GLN A 103 7.309 2.695 8.962 1.00 0.00 H new ATOM 0 HE22 GLN A 103 7.366 4.323 8.278 1.00 0.00 H new ATOM 1559 N GLU A 104 3.581 2.597 7.341 1.00 0.00 N ATOM 1560 CA GLU A 104 3.655 3.319 6.072 1.00 0.00 C ATOM 1561 C GLU A 104 4.016 4.788 6.343 1.00 0.00 C ATOM 1562 O GLU A 104 3.452 5.423 7.231 1.00 0.00 O ATOM 1563 CB GLU A 104 2.301 3.195 5.334 1.00 0.00 C ATOM 1564 CG GLU A 104 2.188 4.011 4.033 1.00 0.00 C ATOM 1565 CD GLU A 104 0.869 3.755 3.278 1.00 0.00 C ATOM 1566 OE1 GLU A 104 0.782 2.741 2.544 1.00 0.00 O ATOM 1567 OE2 GLU A 104 -0.077 4.552 3.430 1.00 0.00 O ATOM 0 H GLU A 104 2.706 2.749 7.842 1.00 0.00 H new ATOM 0 HA GLU A 104 4.430 2.891 5.436 1.00 0.00 H new ATOM 0 HB2 GLU A 104 2.127 2.144 5.102 1.00 0.00 H new ATOM 0 HB3 GLU A 104 1.506 3.508 6.011 1.00 0.00 H new ATOM 0 HG2 GLU A 104 2.266 5.073 4.268 1.00 0.00 H new ATOM 0 HG3 GLU A 104 3.027 3.766 3.382 1.00 0.00 H new ATOM 1574 N THR A 105 4.980 5.309 5.589 1.00 0.00 N ATOM 1575 CA THR A 105 5.391 6.707 5.657 1.00 0.00 C ATOM 1576 C THR A 105 5.241 7.304 4.267 1.00 0.00 C ATOM 1577 O THR A 105 5.995 6.956 3.359 1.00 0.00 O ATOM 1578 CB THR A 105 6.866 6.853 6.157 1.00 0.00 C ATOM 1579 OG1 THR A 105 7.025 6.117 7.376 1.00 0.00 O ATOM 1580 CG2 THR A 105 7.249 8.330 6.400 1.00 0.00 C ATOM 0 H THR A 105 5.504 4.764 4.905 1.00 0.00 H new ATOM 0 HA THR A 105 4.762 7.235 6.374 1.00 0.00 H new ATOM 0 HB THR A 105 7.524 6.460 5.382 1.00 0.00 H new ATOM 0 HG1 THR A 105 6.164 6.063 7.840 1.00 0.00 H new ATOM 0 HG21 THR A 105 8.281 8.386 6.746 1.00 0.00 H new ATOM 0 HG22 THR A 105 7.147 8.890 5.470 1.00 0.00 H new ATOM 0 HG23 THR A 105 6.589 8.757 7.155 1.00 0.00 H new ATOM 1588 N PHE A 106 4.284 8.211 4.102 1.00 0.00 N ATOM 1589 CA PHE A 106 3.896 8.738 2.792 1.00 0.00 C ATOM 1590 C PHE A 106 4.109 10.257 2.774 1.00 0.00 C ATOM 1591 O PHE A 106 3.733 10.962 3.712 1.00 0.00 O ATOM 1592 CB PHE A 106 2.431 8.349 2.449 1.00 0.00 C ATOM 1593 CG PHE A 106 1.414 8.710 3.536 1.00 0.00 C ATOM 1594 CD1 PHE A 106 1.172 7.842 4.599 1.00 0.00 C ATOM 1595 CD2 PHE A 106 0.719 9.919 3.505 1.00 0.00 C ATOM 1596 CE1 PHE A 106 0.273 8.169 5.584 1.00 0.00 C ATOM 1597 CE2 PHE A 106 -0.184 10.241 4.493 1.00 0.00 C ATOM 1598 CZ PHE A 106 -0.406 9.363 5.533 1.00 0.00 C ATOM 0 H PHE A 106 3.750 8.606 4.876 1.00 0.00 H new ATOM 0 HA PHE A 106 4.525 8.295 2.020 1.00 0.00 H new ATOM 0 HB2 PHE A 106 2.144 8.842 1.520 1.00 0.00 H new ATOM 0 HB3 PHE A 106 2.385 7.275 2.267 1.00 0.00 H new ATOM 0 HD1 PHE A 106 1.698 6.900 4.649 1.00 0.00 H new ATOM 0 HD2 PHE A 106 0.892 10.612 2.695 1.00 0.00 H new ATOM 0 HE1 PHE A 106 0.099 7.486 6.402 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -0.717 11.179 4.454 1.00 0.00 H new ATOM 0 HZ PHE A 106 -1.114 9.614 6.309 1.00 0.00 H new ATOM 1608 N ASP A 107 4.763 10.725 1.715 1.00 0.00 N ATOM 1609 CA ASP A 107 5.066 12.128 1.484 1.00 0.00 C ATOM 1610 C ASP A 107 3.761 12.885 1.201 1.00 0.00 C ATOM 1611 O ASP A 107 3.045 12.549 0.255 1.00 0.00 O ATOM 1612 CB ASP A 107 6.063 12.238 0.304 1.00 0.00 C ATOM 1613 CG ASP A 107 6.625 13.648 0.129 1.00 0.00 C ATOM 1614 OD1 ASP A 107 7.670 13.963 0.747 1.00 0.00 O ATOM 1615 OD2 ASP A 107 6.031 14.445 -0.625 1.00 0.00 O ATOM 0 H ASP A 107 5.106 10.116 0.972 1.00 0.00 H new ATOM 0 HA ASP A 107 5.529 12.576 2.363 1.00 0.00 H new ATOM 0 HB2 ASP A 107 6.886 11.542 0.465 1.00 0.00 H new ATOM 0 HB3 ASP A 107 5.564 11.935 -0.616 1.00 0.00 H new ATOM 1620 N ALA A 108 3.456 13.884 2.039 1.00 0.00 N ATOM 1621 CA ALA A 108 2.177 14.597 2.012 1.00 0.00 C ATOM 1622 C ALA A 108 2.276 15.868 1.158 1.00 0.00 C ATOM 1623 O ALA A 108 3.365 16.370 0.881 1.00 0.00 O ATOM 1624 CB ALA A 108 1.748 14.934 3.445 1.00 0.00 C ATOM 0 H ALA A 108 4.095 14.221 2.759 1.00 0.00 H new ATOM 0 HA ALA A 108 1.423 13.954 1.558 1.00 0.00 H new ATOM 0 HB1 ALA A 108 0.796 15.465 3.425 1.00 0.00 H new ATOM 0 HB2 ALA A 108 1.638 14.013 4.018 1.00 0.00 H new ATOM 0 HB3 ALA A 108 2.505 15.564 3.913 1.00 0.00 H new ATOM 1630 N GLU A 109 1.106 16.379 0.789 1.00 0.00 N ATOM 1631 CA GLU A 109 0.945 17.547 -0.094 1.00 0.00 C ATOM 1632 C GLU A 109 0.573 18.785 0.741 1.00 0.00 C ATOM 1633 O GLU A 109 -0.245 18.690 1.655 1.00 0.00 O ATOM 1634 CB GLU A 109 -0.144 17.254 -1.181 1.00 0.00 C ATOM 1635 CG GLU A 109 0.322 17.475 -2.629 1.00 0.00 C ATOM 1636 CD GLU A 109 0.865 18.885 -2.874 1.00 0.00 C ATOM 1637 OE1 GLU A 109 0.055 19.823 -2.957 1.00 0.00 O ATOM 1638 OE2 GLU A 109 2.102 19.073 -2.934 1.00 0.00 O ATOM 0 H GLU A 109 0.216 15.988 1.099 1.00 0.00 H new ATOM 0 HA GLU A 109 1.887 17.747 -0.604 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -0.477 16.222 -1.074 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -1.009 17.889 -0.991 1.00 0.00 H new ATOM 0 HG2 GLU A 109 1.096 16.747 -2.871 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -0.512 17.290 -3.306 1.00 0.00 H new ATOM 1688 N THR A 113 -4.960 19.281 2.967 1.00 0.00 N ATOM 1689 CA THR A 113 -4.901 19.246 4.435 1.00 0.00 C ATOM 1690 C THR A 113 -4.285 17.895 4.907 1.00 0.00 C ATOM 1691 O THR A 113 -4.806 16.832 4.542 1.00 0.00 O ATOM 1692 CB THR A 113 -6.320 19.480 5.059 1.00 0.00 C ATOM 1693 OG1 THR A 113 -7.276 18.559 4.511 1.00 0.00 O ATOM 1694 CG2 THR A 113 -6.815 20.918 4.818 1.00 0.00 C ATOM 0 HA THR A 113 -4.259 20.056 4.783 1.00 0.00 H new ATOM 0 HB THR A 113 -6.226 19.316 6.132 1.00 0.00 H new ATOM 0 HG1 THR A 113 -6.988 18.282 3.616 1.00 0.00 H new ATOM 0 HG21 THR A 113 -7.801 21.043 5.265 1.00 0.00 H new ATOM 0 HG22 THR A 113 -6.119 21.623 5.272 1.00 0.00 H new ATOM 0 HG23 THR A 113 -6.875 21.107 3.746 1.00 0.00 H new ATOM 1702 N PRO A 114 -3.132 17.931 5.677 1.00 0.00 N ATOM 1703 CA PRO A 114 -2.346 16.724 6.039 1.00 0.00 C ATOM 1704 C PRO A 114 -3.184 15.638 6.750 1.00 0.00 C ATOM 1705 O PRO A 114 -3.039 14.461 6.445 1.00 0.00 O ATOM 1706 CB PRO A 114 -1.209 17.266 6.955 1.00 0.00 C ATOM 1707 CG PRO A 114 -1.636 18.648 7.354 1.00 0.00 C ATOM 1708 CD PRO A 114 -2.505 19.159 6.233 1.00 0.00 C ATOM 0 HA PRO A 114 -1.969 16.218 5.150 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -1.074 16.630 7.830 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -0.256 17.288 6.426 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -2.186 18.629 8.295 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -0.771 19.295 7.502 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -3.255 19.861 6.597 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -1.917 19.684 5.480 1.00 0.00 H new ATOM 1716 N ALA A 115 -4.064 16.049 7.680 1.00 0.00 N ATOM 1717 CA ALA A 115 -4.923 15.114 8.442 1.00 0.00 C ATOM 1718 C ALA A 115 -5.892 14.339 7.521 1.00 0.00 C ATOM 1719 O ALA A 115 -6.178 13.164 7.772 1.00 0.00 O ATOM 1720 CB ALA A 115 -5.686 15.865 9.542 1.00 0.00 C ATOM 0 H ALA A 115 -4.202 17.029 7.926 1.00 0.00 H new ATOM 0 HA ALA A 115 -4.274 14.375 8.912 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -6.313 15.164 10.093 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -4.975 16.331 10.225 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -6.312 16.634 9.090 1.00 0.00 H new ATOM 1726 N GLN A 116 -6.368 14.994 6.445 1.00 0.00 N ATOM 1727 CA GLN A 116 -7.283 14.371 5.459 1.00 0.00 C ATOM 1728 C GLN A 116 -6.531 13.325 4.615 1.00 0.00 C ATOM 1729 O GLN A 116 -7.064 12.246 4.325 1.00 0.00 O ATOM 1730 CB GLN A 116 -7.920 15.459 4.551 1.00 0.00 C ATOM 1731 CG GLN A 116 -8.846 14.940 3.429 1.00 0.00 C ATOM 1732 CD GLN A 116 -10.068 14.171 3.943 1.00 0.00 C ATOM 1733 OE1 GLN A 116 -11.117 14.753 4.208 1.00 0.00 O ATOM 1734 NE2 GLN A 116 -9.942 12.856 4.077 1.00 0.00 N ATOM 0 H GLN A 116 -6.133 15.964 6.232 1.00 0.00 H new ATOM 0 HA GLN A 116 -8.084 13.863 5.997 1.00 0.00 H new ATOM 0 HB2 GLN A 116 -8.491 16.142 5.180 1.00 0.00 H new ATOM 0 HB3 GLN A 116 -7.118 16.040 4.095 1.00 0.00 H new ATOM 0 HG2 GLN A 116 -9.185 15.785 2.831 1.00 0.00 H new ATOM 0 HG3 GLN A 116 -8.272 14.291 2.767 1.00 0.00 H new ATOM 0 HE21 GLN A 116 -9.057 12.403 3.849 1.00 0.00 H new ATOM 0 HE22 GLN A 116 -10.730 12.299 4.408 1.00 0.00 H new ATOM 1743 N GLN A 117 -5.291 13.663 4.233 1.00 0.00 N ATOM 1744 CA GLN A 117 -4.402 12.744 3.496 1.00 0.00 C ATOM 1745 C GLN A 117 -4.077 11.521 4.347 1.00 0.00 C ATOM 1746 O GLN A 117 -4.109 10.391 3.859 1.00 0.00 O ATOM 1747 CB GLN A 117 -3.096 13.460 3.096 1.00 0.00 C ATOM 1748 CG GLN A 117 -3.304 14.665 2.177 1.00 0.00 C ATOM 1749 CD GLN A 117 -1.999 15.325 1.789 1.00 0.00 C ATOM 1750 OE1 GLN A 117 -1.373 14.945 0.807 1.00 0.00 O ATOM 1751 NE2 GLN A 117 -1.579 16.321 2.559 1.00 0.00 N ATOM 0 H GLN A 117 -4.875 14.575 4.423 1.00 0.00 H new ATOM 0 HA GLN A 117 -4.920 12.421 2.593 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -2.583 13.789 3.999 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -2.440 12.746 2.599 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -3.829 14.346 1.276 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -3.942 15.394 2.676 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -2.130 16.607 3.368 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -0.705 16.800 2.342 1.00 0.00 H new ATOM 1760 N GLN A 118 -3.783 11.768 5.633 1.00 0.00 N ATOM 1761 CA GLN A 118 -3.504 10.715 6.606 1.00 0.00 C ATOM 1762 C GLN A 118 -4.717 9.796 6.753 1.00 0.00 C ATOM 1763 O GLN A 118 -4.565 8.596 6.801 1.00 0.00 O ATOM 1764 CB GLN A 118 -3.100 11.297 7.985 1.00 0.00 C ATOM 1765 CG GLN A 118 -2.729 10.221 9.022 1.00 0.00 C ATOM 1766 CD GLN A 118 -2.373 10.773 10.402 1.00 0.00 C ATOM 1767 OE1 GLN A 118 -2.872 11.819 10.815 1.00 0.00 O ATOM 1768 NE2 GLN A 118 -1.522 10.065 11.127 1.00 0.00 N ATOM 0 H GLN A 118 -3.733 12.709 6.023 1.00 0.00 H new ATOM 0 HA GLN A 118 -2.659 10.137 6.233 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -2.253 11.970 7.852 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -3.924 11.895 8.373 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -3.565 9.529 9.125 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -1.884 9.646 8.645 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -1.128 9.202 10.752 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -1.260 10.382 12.060 1.00 0.00 H new ATOM 1777 N ALA A 119 -5.917 10.387 6.781 1.00 0.00 N ATOM 1778 CA ALA A 119 -7.188 9.633 6.865 1.00 0.00 C ATOM 1779 C ALA A 119 -7.412 8.784 5.595 1.00 0.00 C ATOM 1780 O ALA A 119 -8.017 7.708 5.657 1.00 0.00 O ATOM 1781 CB ALA A 119 -8.357 10.598 7.106 1.00 0.00 C ATOM 0 H ALA A 119 -6.042 11.399 6.746 1.00 0.00 H new ATOM 0 HA ALA A 119 -7.132 8.946 7.709 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -9.288 10.034 7.166 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -8.198 11.136 8.040 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -8.417 11.310 6.283 1.00 0.00 H new ATOM 1787 N GLY A 120 -6.905 9.283 4.450 1.00 0.00 N ATOM 1788 CA GLY A 120 -6.992 8.571 3.176 1.00 0.00 C ATOM 1789 C GLY A 120 -6.152 7.304 3.162 1.00 0.00 C ATOM 1790 O GLY A 120 -6.677 6.202 2.979 1.00 0.00 O ATOM 0 H GLY A 120 -6.429 10.183 4.390 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -8.033 8.316 2.976 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -6.665 9.230 2.372 1.00 0.00 H new ATOM 1794 N TRP A 121 -4.847 7.469 3.395 1.00 0.00 N ATOM 1795 CA TRP A 121 -3.876 6.360 3.370 1.00 0.00 C ATOM 1796 C TRP A 121 -4.076 5.396 4.548 1.00 0.00 C ATOM 1797 O TRP A 121 -3.913 4.192 4.390 1.00 0.00 O ATOM 1798 CB TRP A 121 -2.442 6.914 3.358 1.00 0.00 C ATOM 1799 CG TRP A 121 -2.069 7.634 2.079 1.00 0.00 C ATOM 1800 CD1 TRP A 121 -2.166 8.972 1.829 1.00 0.00 C ATOM 1801 CD2 TRP A 121 -1.538 7.048 0.880 1.00 0.00 C ATOM 1802 NE1 TRP A 121 -1.721 9.253 0.568 1.00 0.00 N ATOM 1803 CE2 TRP A 121 -1.337 8.092 -0.039 1.00 0.00 C ATOM 1804 CE3 TRP A 121 -1.211 5.742 0.498 1.00 0.00 C ATOM 1805 CZ2 TRP A 121 -0.828 7.878 -1.315 1.00 0.00 C ATOM 1806 CZ3 TRP A 121 -0.706 5.527 -0.771 1.00 0.00 C ATOM 1807 CH2 TRP A 121 -0.518 6.593 -1.665 1.00 0.00 C ATOM 0 H TRP A 121 -4.429 8.375 3.607 1.00 0.00 H new ATOM 0 HA TRP A 121 -4.045 5.790 2.457 1.00 0.00 H new ATOM 0 HB2 TRP A 121 -2.322 7.600 4.197 1.00 0.00 H new ATOM 0 HB3 TRP A 121 -1.745 6.091 3.516 1.00 0.00 H new ATOM 0 HD1 TRP A 121 -2.541 9.705 2.528 1.00 0.00 H new ATOM 0 HE1 TRP A 121 -1.682 10.181 0.148 1.00 0.00 H new ATOM 0 HE3 TRP A 121 -1.350 4.918 1.182 1.00 0.00 H new ATOM 0 HZ2 TRP A 121 -0.683 8.697 -2.004 1.00 0.00 H new ATOM 0 HZ3 TRP A 121 -0.452 4.524 -1.079 1.00 0.00 H new ATOM 0 HH2 TRP A 121 -0.120 6.394 -2.649 1.00 0.00 H new ATOM 1818 N GLN A 122 -4.430 5.939 5.730 1.00 0.00 N ATOM 1819 CA GLN A 122 -4.780 5.121 6.922 1.00 0.00 C ATOM 1820 C GLN A 122 -6.031 4.285 6.633 1.00 0.00 C ATOM 1821 O GLN A 122 -6.209 3.207 7.203 1.00 0.00 O ATOM 1822 CB GLN A 122 -5.029 6.014 8.176 1.00 0.00 C ATOM 1823 CG GLN A 122 -5.236 5.257 9.499 1.00 0.00 C ATOM 1824 CD GLN A 122 -3.978 4.549 9.985 1.00 0.00 C ATOM 1825 OE1 GLN A 122 -3.199 5.112 10.744 1.00 0.00 O ATOM 1826 NE2 GLN A 122 -3.761 3.317 9.547 1.00 0.00 N ATOM 0 H GLN A 122 -4.483 6.945 5.891 1.00 0.00 H new ATOM 0 HA GLN A 122 -3.936 4.464 7.134 1.00 0.00 H new ATOM 0 HB2 GLN A 122 -4.182 6.690 8.293 1.00 0.00 H new ATOM 0 HB3 GLN A 122 -5.907 6.633 7.991 1.00 0.00 H new ATOM 0 HG2 GLN A 122 -5.569 5.958 10.264 1.00 0.00 H new ATOM 0 HG3 GLN A 122 -6.032 4.523 9.370 1.00 0.00 H new ATOM 0 HE21 GLN A 122 -4.429 2.875 8.915 1.00 0.00 H new ATOM 0 HE22 GLN A 122 -2.926 2.811 9.842 1.00 0.00 H new ATOM 1835 N GLY A 123 -6.913 4.838 5.777 1.00 0.00 N ATOM 1836 CA GLY A 123 -8.073 4.119 5.268 1.00 0.00 C ATOM 1837 C GLY A 123 -7.677 2.944 4.386 1.00 0.00 C ATOM 1838 O GLY A 123 -8.192 1.845 4.553 1.00 0.00 O ATOM 0 H GLY A 123 -6.832 5.793 5.427 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -8.671 3.758 6.105 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -8.702 4.803 4.699 1.00 0.00 H new ATOM 1842 N ILE A 124 -6.734 3.178 3.456 1.00 0.00 N ATOM 1843 CA ILE A 124 -6.231 2.139 2.520 1.00 0.00 C ATOM 1844 C ILE A 124 -5.479 1.031 3.298 1.00 0.00 C ATOM 1845 O ILE A 124 -5.569 -0.156 2.961 1.00 0.00 O ATOM 1846 CB ILE A 124 -5.296 2.780 1.417 1.00 0.00 C ATOM 1847 CG1 ILE A 124 -6.031 3.948 0.678 1.00 0.00 C ATOM 1848 CG2 ILE A 124 -4.813 1.720 0.395 1.00 0.00 C ATOM 1849 CD1 ILE A 124 -5.166 4.727 -0.305 1.00 0.00 C ATOM 0 H ILE A 124 -6.295 4.090 3.327 1.00 0.00 H new ATOM 0 HA ILE A 124 -7.086 1.688 2.016 1.00 0.00 H new ATOM 0 HB ILE A 124 -4.419 3.182 1.925 1.00 0.00 H new ATOM 0 HG12 ILE A 124 -6.887 3.538 0.142 1.00 0.00 H new ATOM 0 HG13 ILE A 124 -6.423 4.640 1.423 1.00 0.00 H new ATOM 0 HG21 ILE A 124 -4.173 2.196 -0.348 1.00 0.00 H new ATOM 0 HG22 ILE A 124 -4.251 0.944 0.914 1.00 0.00 H new ATOM 0 HG23 ILE A 124 -5.675 1.274 -0.101 1.00 0.00 H new ATOM 0 HD11 ILE A 124 -5.760 5.515 -0.768 1.00 0.00 H new ATOM 0 HD12 ILE A 124 -4.324 5.172 0.225 1.00 0.00 H new ATOM 0 HD13 ILE A 124 -4.794 4.052 -1.076 1.00 0.00 H new ATOM 1861 N LEU A 125 -4.778 1.445 4.367 1.00 0.00 N ATOM 1862 CA LEU A 125 -4.056 0.536 5.278 1.00 0.00 C ATOM 1863 C LEU A 125 -5.058 -0.243 6.153 1.00 0.00 C ATOM 1864 O LEU A 125 -4.818 -1.403 6.492 1.00 0.00 O ATOM 1865 CB LEU A 125 -3.052 1.336 6.159 1.00 0.00 C ATOM 1866 CG LEU A 125 -2.171 0.496 7.141 1.00 0.00 C ATOM 1867 CD1 LEU A 125 -1.308 -0.547 6.384 1.00 0.00 C ATOM 1868 CD2 LEU A 125 -1.289 1.415 8.024 1.00 0.00 C ATOM 0 H LEU A 125 -4.695 2.428 4.627 1.00 0.00 H new ATOM 0 HA LEU A 125 -3.488 -0.181 4.685 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -2.390 1.897 5.500 1.00 0.00 H new ATOM 0 HB3 LEU A 125 -3.614 2.065 6.742 1.00 0.00 H new ATOM 0 HG LEU A 125 -2.846 -0.054 7.797 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -0.709 -1.112 7.099 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -1.959 -1.229 5.837 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -0.649 -0.034 5.684 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -0.687 0.804 8.697 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -0.633 2.009 7.388 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -1.926 2.079 8.608 1.00 0.00 H new ATOM 1880 N ASP A 126 -6.171 0.421 6.526 1.00 0.00 N ATOM 1881 CA ASP A 126 -7.293 -0.223 7.245 1.00 0.00 C ATOM 1882 C ASP A 126 -7.926 -1.303 6.378 1.00 0.00 C ATOM 1883 O ASP A 126 -8.236 -2.380 6.869 1.00 0.00 O ATOM 1884 CB ASP A 126 -8.363 0.809 7.682 1.00 0.00 C ATOM 1885 CG ASP A 126 -9.520 0.182 8.485 1.00 0.00 C ATOM 1886 OD1 ASP A 126 -9.341 -0.108 9.692 1.00 0.00 O ATOM 1887 OD2 ASP A 126 -10.608 -0.035 7.917 1.00 0.00 O ATOM 0 H ASP A 126 -6.319 1.413 6.339 1.00 0.00 H new ATOM 0 HA ASP A 126 -6.887 -0.680 8.147 1.00 0.00 H new ATOM 0 HB2 ASP A 126 -7.888 1.582 8.286 1.00 0.00 H new ATOM 0 HB3 ASP A 126 -8.768 1.300 6.797 1.00 0.00 H new ATOM 1892 N ASN A 127 -8.089 -1.008 5.079 1.00 0.00 N ATOM 1893 CA ASN A 127 -8.592 -1.981 4.095 1.00 0.00 C ATOM 1894 C ASN A 127 -7.611 -3.148 3.966 1.00 0.00 C ATOM 1895 O ASN A 127 -8.038 -4.286 3.837 1.00 0.00 O ATOM 1896 CB ASN A 127 -8.821 -1.340 2.697 1.00 0.00 C ATOM 1897 CG ASN A 127 -10.068 -0.458 2.593 1.00 0.00 C ATOM 1898 OD1 ASN A 127 -11.176 -0.957 2.416 1.00 0.00 O ATOM 1899 ND2 ASN A 127 -9.897 0.851 2.646 1.00 0.00 N ATOM 0 H ASN A 127 -7.877 -0.093 4.682 1.00 0.00 H new ATOM 0 HA ASN A 127 -9.555 -2.339 4.458 1.00 0.00 H new ATOM 0 HB2 ASN A 127 -7.947 -0.742 2.439 1.00 0.00 H new ATOM 0 HB3 ASN A 127 -8.893 -2.135 1.955 1.00 0.00 H new ATOM 0 HD21 ASN A 127 -10.697 1.475 2.539 1.00 0.00 H new ATOM 0 HD22 ASN A 127 -8.965 1.238 2.794 1.00 0.00 H new ATOM 1906 N PHE A 128 -6.303 -2.839 3.999 1.00 0.00 N ATOM 1907 CA PHE A 128 -5.231 -3.841 3.892 1.00 0.00 C ATOM 1908 C PHE A 128 -5.327 -4.853 5.041 1.00 0.00 C ATOM 1909 O PHE A 128 -5.596 -6.024 4.803 1.00 0.00 O ATOM 1910 CB PHE A 128 -3.837 -3.148 3.874 1.00 0.00 C ATOM 1911 CG PHE A 128 -2.635 -4.100 3.831 1.00 0.00 C ATOM 1912 CD1 PHE A 128 -2.574 -5.135 2.898 1.00 0.00 C ATOM 1913 CD2 PHE A 128 -1.573 -3.961 4.723 1.00 0.00 C ATOM 1914 CE1 PHE A 128 -1.499 -5.992 2.854 1.00 0.00 C ATOM 1915 CE2 PHE A 128 -0.495 -4.819 4.679 1.00 0.00 C ATOM 1916 CZ PHE A 128 -0.458 -5.834 3.744 1.00 0.00 C ATOM 0 H PHE A 128 -5.960 -1.884 4.101 1.00 0.00 H new ATOM 0 HA PHE A 128 -5.352 -4.382 2.953 1.00 0.00 H new ATOM 0 HB2 PHE A 128 -3.788 -2.488 3.008 1.00 0.00 H new ATOM 0 HB3 PHE A 128 -3.750 -2.519 4.760 1.00 0.00 H new ATOM 0 HD1 PHE A 128 -3.385 -5.266 2.197 1.00 0.00 H new ATOM 0 HD2 PHE A 128 -1.595 -3.170 5.458 1.00 0.00 H new ATOM 0 HE1 PHE A 128 -1.470 -6.787 2.124 1.00 0.00 H new ATOM 0 HE2 PHE A 128 0.321 -4.697 5.376 1.00 0.00 H new ATOM 0 HZ PHE A 128 0.387 -6.505 3.710 1.00 0.00 H new ATOM 1926 N LYS A 129 -5.162 -4.373 6.277 1.00 0.00 N ATOM 1927 CA LYS A 129 -5.150 -5.233 7.477 1.00 0.00 C ATOM 1928 C LYS A 129 -6.497 -5.954 7.660 1.00 0.00 C ATOM 1929 O LYS A 129 -6.521 -7.113 8.071 1.00 0.00 O ATOM 1930 CB LYS A 129 -4.791 -4.412 8.742 1.00 0.00 C ATOM 1931 CG LYS A 129 -5.752 -3.253 9.053 1.00 0.00 C ATOM 1932 CD LYS A 129 -5.360 -2.469 10.322 1.00 0.00 C ATOM 1933 CE LYS A 129 -5.471 -3.315 11.596 1.00 0.00 C ATOM 1934 NZ LYS A 129 -6.861 -3.769 11.871 1.00 0.00 N ATOM 0 H LYS A 129 -5.033 -3.382 6.480 1.00 0.00 H new ATOM 0 HA LYS A 129 -4.381 -5.992 7.333 1.00 0.00 H new ATOM 0 HB2 LYS A 129 -4.766 -5.085 9.599 1.00 0.00 H new ATOM 0 HB3 LYS A 129 -3.785 -4.009 8.623 1.00 0.00 H new ATOM 0 HG2 LYS A 129 -5.776 -2.570 8.204 1.00 0.00 H new ATOM 0 HG3 LYS A 129 -6.761 -3.647 9.173 1.00 0.00 H new ATOM 0 HD2 LYS A 129 -4.337 -2.106 10.219 1.00 0.00 H new ATOM 0 HD3 LYS A 129 -6.001 -1.592 10.415 1.00 0.00 H new ATOM 0 HE2 LYS A 129 -4.821 -4.185 11.506 1.00 0.00 H new ATOM 0 HE3 LYS A 129 -5.109 -2.734 12.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 -6.900 -4.218 12.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 -7.503 -2.951 11.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 -7.152 -4.455 11.146 1.00 0.00 H new ATOM 1948 N ARG A 130 -7.609 -5.252 7.343 1.00 0.00 N ATOM 1949 CA ARG A 130 -8.962 -5.833 7.423 1.00 0.00 C ATOM 1950 C ARG A 130 -9.082 -7.012 6.463 1.00 0.00 C ATOM 1951 O ARG A 130 -9.499 -8.082 6.866 1.00 0.00 O ATOM 1952 CB ARG A 130 -10.061 -4.781 7.129 1.00 0.00 C ATOM 1953 CG ARG A 130 -11.507 -5.284 7.336 1.00 0.00 C ATOM 1954 CD ARG A 130 -12.565 -4.195 7.073 1.00 0.00 C ATOM 1955 NE ARG A 130 -13.938 -4.705 7.262 1.00 0.00 N ATOM 1956 CZ ARG A 130 -15.057 -4.149 6.760 1.00 0.00 C ATOM 1957 NH1 ARG A 130 -14.998 -3.052 6.003 1.00 0.00 N ATOM 1958 NH2 ARG A 130 -16.237 -4.710 7.011 1.00 0.00 N ATOM 0 H ARG A 130 -7.592 -4.282 7.029 1.00 0.00 H new ATOM 0 HA ARG A 130 -9.113 -6.184 8.444 1.00 0.00 H new ATOM 0 HB2 ARG A 130 -9.897 -3.915 7.770 1.00 0.00 H new ATOM 0 HB3 ARG A 130 -9.953 -4.441 6.099 1.00 0.00 H new ATOM 0 HG2 ARG A 130 -11.691 -6.129 6.673 1.00 0.00 H new ATOM 0 HG3 ARG A 130 -11.616 -5.650 8.357 1.00 0.00 H new ATOM 0 HD2 ARG A 130 -12.395 -3.353 7.744 1.00 0.00 H new ATOM 0 HD3 ARG A 130 -12.454 -3.819 6.056 1.00 0.00 H new ATOM 0 HE ARG A 130 -14.048 -5.551 7.821 1.00 0.00 H new ATOM 0 HH11 ARG A 130 -14.096 -2.622 5.797 1.00 0.00 H new ATOM 0 HH12 ARG A 130 -15.855 -2.643 5.630 1.00 0.00 H new ATOM 0 HH21 ARG A 130 -16.289 -5.555 7.580 1.00 0.00 H new ATOM 0 HH22 ARG A 130 -17.089 -4.295 6.635 1.00 0.00 H new ATOM 1972 N TYR A 131 -8.645 -6.798 5.220 1.00 0.00 N ATOM 1973 CA TYR A 131 -8.665 -7.814 4.152 1.00 0.00 C ATOM 1974 C TYR A 131 -7.850 -9.054 4.545 1.00 0.00 C ATOM 1975 O TYR A 131 -8.334 -10.162 4.421 1.00 0.00 O ATOM 1976 CB TYR A 131 -8.112 -7.204 2.837 1.00 0.00 C ATOM 1977 CG TYR A 131 -7.798 -8.215 1.718 1.00 0.00 C ATOM 1978 CD1 TYR A 131 -8.814 -8.804 0.970 1.00 0.00 C ATOM 1979 CD2 TYR A 131 -6.479 -8.579 1.424 1.00 0.00 C ATOM 1980 CE1 TYR A 131 -8.532 -9.712 -0.022 1.00 0.00 C ATOM 1981 CE2 TYR A 131 -6.196 -9.487 0.432 1.00 0.00 C ATOM 1982 CZ TYR A 131 -7.226 -10.047 -0.288 1.00 0.00 C ATOM 1983 OH TYR A 131 -6.952 -10.938 -1.286 1.00 0.00 O ATOM 0 H TYR A 131 -8.261 -5.903 4.917 1.00 0.00 H new ATOM 0 HA TYR A 131 -9.697 -8.129 4.000 1.00 0.00 H new ATOM 0 HB2 TYR A 131 -8.837 -6.483 2.459 1.00 0.00 H new ATOM 0 HB3 TYR A 131 -7.202 -6.650 3.068 1.00 0.00 H new ATOM 0 HD1 TYR A 131 -9.842 -8.543 1.173 1.00 0.00 H new ATOM 0 HD2 TYR A 131 -5.669 -8.139 1.987 1.00 0.00 H new ATOM 0 HE1 TYR A 131 -9.333 -10.161 -0.590 1.00 0.00 H new ATOM 0 HE2 TYR A 131 -5.173 -9.759 0.219 1.00 0.00 H new ATOM 0 HH TYR A 131 -6.229 -11.535 -1.002 1.00 0.00 H new ATOM 1993 N VAL A 132 -6.619 -8.838 5.016 1.00 0.00 N ATOM 1994 CA VAL A 132 -5.678 -9.923 5.356 1.00 0.00 C ATOM 1995 C VAL A 132 -6.245 -10.820 6.480 1.00 0.00 C ATOM 1996 O VAL A 132 -6.164 -12.054 6.412 1.00 0.00 O ATOM 1997 CB VAL A 132 -4.277 -9.327 5.768 1.00 0.00 C ATOM 1998 CG1 VAL A 132 -3.294 -10.424 6.196 1.00 0.00 C ATOM 1999 CG2 VAL A 132 -3.673 -8.487 4.619 1.00 0.00 C ATOM 0 H VAL A 132 -6.240 -7.904 5.175 1.00 0.00 H new ATOM 0 HA VAL A 132 -5.542 -10.545 4.471 1.00 0.00 H new ATOM 0 HB VAL A 132 -4.446 -8.677 6.626 1.00 0.00 H new ATOM 0 HG11 VAL A 132 -2.341 -9.972 6.472 1.00 0.00 H new ATOM 0 HG12 VAL A 132 -3.701 -10.963 7.051 1.00 0.00 H new ATOM 0 HG13 VAL A 132 -3.140 -11.118 5.369 1.00 0.00 H new ATOM 0 HG21 VAL A 132 -2.707 -8.088 4.929 1.00 0.00 H new ATOM 0 HG22 VAL A 132 -3.540 -9.117 3.739 1.00 0.00 H new ATOM 0 HG23 VAL A 132 -4.345 -7.664 4.378 1.00 0.00 H new ATOM 2009 N GLU A 133 -6.862 -10.178 7.484 1.00 0.00 N ATOM 2010 CA GLU A 133 -7.419 -10.871 8.665 1.00 0.00 C ATOM 2011 C GLU A 133 -8.832 -11.437 8.394 1.00 0.00 C ATOM 2012 O GLU A 133 -9.231 -12.421 9.019 1.00 0.00 O ATOM 2013 CB GLU A 133 -7.430 -9.903 9.877 1.00 0.00 C ATOM 2014 CG GLU A 133 -6.039 -9.357 10.285 1.00 0.00 C ATOM 2015 CD GLU A 133 -5.074 -10.439 10.805 1.00 0.00 C ATOM 2016 OE1 GLU A 133 -4.417 -11.118 9.977 1.00 0.00 O ATOM 2017 OE2 GLU A 133 -4.974 -10.620 12.042 1.00 0.00 O ATOM 0 H GLU A 133 -6.991 -9.166 7.504 1.00 0.00 H new ATOM 0 HA GLU A 133 -6.780 -11.724 8.891 1.00 0.00 H new ATOM 0 HB2 GLU A 133 -8.082 -9.061 9.645 1.00 0.00 H new ATOM 0 HB3 GLU A 133 -7.867 -10.419 10.732 1.00 0.00 H new ATOM 0 HG2 GLU A 133 -5.587 -8.863 9.425 1.00 0.00 H new ATOM 0 HG3 GLU A 133 -6.169 -8.598 11.057 1.00 0.00 H new ATOM 2024 N ALA A 134 -9.568 -10.830 7.445 1.00 0.00 N ATOM 2025 CA ALA A 134 -10.957 -11.246 7.104 1.00 0.00 C ATOM 2026 C ALA A 134 -10.938 -12.369 6.067 1.00 0.00 C ATOM 2027 O ALA A 134 -11.850 -13.196 6.023 1.00 0.00 O ATOM 2028 CB ALA A 134 -11.775 -10.056 6.585 1.00 0.00 C ATOM 0 H ALA A 134 -9.228 -10.043 6.892 1.00 0.00 H new ATOM 0 HA ALA A 134 -11.432 -11.615 8.013 1.00 0.00 H new ATOM 0 HB1 ALA A 134 -12.785 -10.387 6.343 1.00 0.00 H new ATOM 0 HB2 ALA A 134 -11.820 -9.283 7.352 1.00 0.00 H new ATOM 0 HB3 ALA A 134 -11.302 -9.652 5.690 1.00 0.00 H new ATOM 2034 N ALA A 135 -9.887 -12.382 5.237 1.00 0.00 N ATOM 2035 CA ALA A 135 -9.674 -13.415 4.210 1.00 0.00 C ATOM 2036 C ALA A 135 -9.294 -14.735 4.874 1.00 0.00 C ATOM 2037 O ALA A 135 -9.657 -15.817 4.399 1.00 0.00 O ATOM 2038 CB ALA A 135 -8.579 -12.979 3.224 1.00 0.00 C ATOM 0 H ALA A 135 -9.155 -11.672 5.258 1.00 0.00 H new ATOM 0 HA ALA A 135 -10.601 -13.551 3.653 1.00 0.00 H new ATOM 0 HB1 ALA A 135 -8.436 -13.755 2.473 1.00 0.00 H new ATOM 0 HB2 ALA A 135 -8.878 -12.052 2.735 1.00 0.00 H new ATOM 0 HB3 ALA A 135 -7.645 -12.820 3.764 1.00 0.00 H new ATOM 2044 N GLY A 136 -8.579 -14.627 6.004 1.00 0.00 N ATOM 2045 CA GLY A 136 -8.081 -15.784 6.721 1.00 0.00 C ATOM 2046 C GLY A 136 -6.825 -16.320 6.069 1.00 0.00 C ATOM 2047 O GLY A 136 -6.765 -17.477 5.665 1.00 0.00 O ATOM 0 H GLY A 136 -8.337 -13.735 6.435 1.00 0.00 H new ATOM 0 HA2 GLY A 136 -7.872 -15.514 7.756 1.00 0.00 H new ATOM 0 HA3 GLY A 136 -8.845 -16.561 6.742 1.00 0.00 H new ATOM 2051 N LEU A 137 -5.820 -15.446 5.937 1.00 0.00 N ATOM 2052 CA LEU A 137 -4.514 -15.809 5.354 1.00 0.00 C ATOM 2053 C LEU A 137 -3.603 -16.491 6.398 1.00 0.00 C ATOM 2054 O LEU A 137 -2.586 -17.079 6.038 1.00 0.00 O ATOM 2055 CB LEU A 137 -3.830 -14.546 4.757 1.00 0.00 C ATOM 2056 CG LEU A 137 -4.639 -13.795 3.644 1.00 0.00 C ATOM 2057 CD1 LEU A 137 -3.853 -12.592 3.068 1.00 0.00 C ATOM 2058 CD2 LEU A 137 -5.079 -14.766 2.523 1.00 0.00 C ATOM 0 H LEU A 137 -5.884 -14.471 6.228 1.00 0.00 H new ATOM 0 HA LEU A 137 -4.683 -16.528 4.552 1.00 0.00 H new ATOM 0 HB2 LEU A 137 -3.629 -13.847 5.569 1.00 0.00 H new ATOM 0 HB3 LEU A 137 -2.865 -14.840 4.343 1.00 0.00 H new ATOM 0 HG LEU A 137 -5.537 -13.394 4.114 1.00 0.00 H new ATOM 0 HD11 LEU A 137 -4.451 -12.101 2.300 1.00 0.00 H new ATOM 0 HD12 LEU A 137 -3.635 -11.883 3.867 1.00 0.00 H new ATOM 0 HD13 LEU A 137 -2.919 -12.944 2.631 1.00 0.00 H new ATOM 0 HD21 LEU A 137 -5.638 -14.217 1.765 1.00 0.00 H new ATOM 0 HD22 LEU A 137 -4.198 -15.219 2.067 1.00 0.00 H new ATOM 0 HD23 LEU A 137 -5.711 -15.547 2.946 1.00 0.00 H new