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 113 THR OG1 : rot 25:sc= 0.281 USER MOD Set 1.2: A 116 GLN : amide:sc= -0.0659 X(o=0.22,f=0.18) USER MOD Set 2.1: A 4 SER OG : rot 70:sc= 0.446 USER MOD Set 2.2: A 105 THR OG1 : rot 180:sc= 0.413 USER MOD Set 3.1: A 30 ASN : amide:sc= -3.57! C(o=-4.6!,f=-2.9!) USER MOD Set 3.2: A 38 THR OG1 : rot -130:sc= 0.218 USER MOD Set 3.3: A 41 SER OG : rot 48:sc= 1.11 USER MOD Set 3.4: A 53 HIS : no HD1:sc= -2.36! C(o=-4.6!,f=-7.9!) USER MOD Set 4.1: A 37 HIS : no HD1:sc= -0.383 K(o=-0.41,f=0.49) USER MOD Set 4.2: A 39 THR OG1 : rot -170:sc= -0.0249 USER MOD Single : A 1 MET CE :methyl -135:sc= 0 (180deg=-2.08!) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -138:sc= 0.37 (180deg=-0.244) USER MOD Single : A 8 HIS : no HE2:sc= 0.432 K(o=0.43,f=-1.6!) USER MOD Single : A 11 GLN : amide:sc= -0.194 K(o=-0.19,f=-3.8!) USER MOD Single : A 21 ASN : amide:sc= -1.73 K(o=-1.7,f=-0.31) USER MOD Single : A 25 CYS SG : rot -10:sc= -7.78! USER MOD Single : A 33 SER OG : rot 180:sc= 0.0169 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 52 CYS SG : rot 180:sc= 0 USER MOD Single : A 54 HIS : no HD1:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 55 MET CE :methyl 172:sc= -0.0256 (180deg=-0.186) USER MOD Single : A 58 LYS NZ :NH3+ 150:sc= 0.496 (180deg=0.151) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 38:sc= 0.395 USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.104 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot -0:sc= 0.26 USER MOD Single : A 80 SER OG : rot 29:sc= 0.169 USER MOD Single : A 83 MET CE :methyl 163:sc= -0.0512 (180deg=-0.406) USER MOD Single : A 92 GLN : amide:sc= -0.442 K(o=-0.44,f=-2.4) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 76:sc= 0.923 USER MOD Single : A 103 GLN : amide:sc= -0.703 K(o=-0.7,f=0.06) USER MOD Single : A 117 GLN : amide:sc= -1.77 K(o=-1.8,f=-8.5!) USER MOD Single : A 118 GLN : amide:sc= -0.639 K(o=-0.64,f=-0.025) USER MOD Single : A 122 GLN : amide:sc= -2.44! K(o=-2.4!,f=-0.043) USER MOD Single : A 127 ASN : amide:sc= 0.754 K(o=0.75,f=-0.022) USER MOD Single : A 129 LYS NZ :NH3+ -173:sc= 1.8 (180deg=1.73) USER MOD Single : A 131 TYR OH : rot -30:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.044 17.196 5.139 1.00 0.00 N ATOM 2 CA MET A 1 6.553 16.477 6.333 1.00 0.00 C ATOM 3 C MET A 1 6.316 15.004 5.997 1.00 0.00 C ATOM 4 O MET A 1 5.446 14.677 5.190 1.00 0.00 O ATOM 5 CB MET A 1 5.244 17.120 6.871 1.00 0.00 C ATOM 6 CG MET A 1 4.587 16.366 8.043 1.00 0.00 C ATOM 7 SD MET A 1 3.029 17.111 8.560 1.00 0.00 S ATOM 8 CE MET A 1 2.414 15.923 9.751 1.00 0.00 C ATOM 0 H1 MET A 1 7.202 18.196 5.377 1.00 0.00 H new ATOM 0 H2 MET A 1 7.938 16.770 4.820 1.00 0.00 H new ATOM 0 H3 MET A 1 6.338 17.129 4.378 1.00 0.00 H new ATOM 0 HA MET A 1 7.312 16.549 7.112 1.00 0.00 H new ATOM 0 HB2 MET A 1 5.461 18.140 7.190 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.526 17.188 6.053 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.411 15.331 7.751 1.00 0.00 H new ATOM 0 HG3 MET A 1 5.274 16.346 8.889 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.355 15.740 9.569 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.966 14.989 9.651 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.546 16.317 10.759 1.00 0.00 H new ATOM 20 N LYS A 2 7.095 14.125 6.627 1.00 0.00 N ATOM 21 CA LYS A 2 6.881 12.680 6.551 1.00 0.00 C ATOM 22 C LYS A 2 5.841 12.277 7.613 1.00 0.00 C ATOM 23 O LYS A 2 6.118 12.347 8.816 1.00 0.00 O ATOM 24 CB LYS A 2 8.213 11.916 6.763 1.00 0.00 C ATOM 25 CG LYS A 2 9.213 12.064 5.601 1.00 0.00 C ATOM 26 CD LYS A 2 10.538 11.309 5.855 1.00 0.00 C ATOM 27 CE LYS A 2 11.455 11.306 4.626 1.00 0.00 C ATOM 28 NZ LYS A 2 10.834 10.611 3.470 1.00 0.00 N ATOM 0 H LYS A 2 7.892 14.394 7.204 1.00 0.00 H new ATOM 0 HA LYS A 2 6.509 12.417 5.561 1.00 0.00 H new ATOM 0 HB2 LYS A 2 8.682 12.273 7.680 1.00 0.00 H new ATOM 0 HB3 LYS A 2 7.994 10.858 6.908 1.00 0.00 H new ATOM 0 HG2 LYS A 2 8.757 11.690 4.684 1.00 0.00 H new ATOM 0 HG3 LYS A 2 9.426 13.121 5.443 1.00 0.00 H new ATOM 0 HD2 LYS A 2 11.060 11.770 6.693 1.00 0.00 H new ATOM 0 HD3 LYS A 2 10.318 10.281 6.143 1.00 0.00 H new ATOM 0 HE2 LYS A 2 11.691 12.333 4.347 1.00 0.00 H new ATOM 0 HE3 LYS A 2 12.397 10.819 4.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 11.546 10.018 2.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 10.052 10.013 3.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 10.468 11.315 2.797 1.00 0.00 H new ATOM 42 N ILE A 3 4.641 11.895 7.152 1.00 0.00 N ATOM 43 CA ILE A 3 3.563 11.396 8.005 1.00 0.00 C ATOM 44 C ILE A 3 3.782 9.890 8.230 1.00 0.00 C ATOM 45 O ILE A 3 3.683 9.098 7.282 1.00 0.00 O ATOM 46 CB ILE A 3 2.153 11.639 7.349 1.00 0.00 C ATOM 47 CG1 ILE A 3 1.936 13.157 7.038 1.00 0.00 C ATOM 48 CG2 ILE A 3 1.015 11.084 8.254 1.00 0.00 C ATOM 49 CD1 ILE A 3 0.646 13.460 6.313 1.00 0.00 C ATOM 0 H ILE A 3 4.393 11.926 6.163 1.00 0.00 H new ATOM 0 HA ILE A 3 3.581 11.933 8.953 1.00 0.00 H new ATOM 0 HB ILE A 3 2.122 11.096 6.404 1.00 0.00 H new ATOM 0 HG12 ILE A 3 1.954 13.715 7.974 1.00 0.00 H new ATOM 0 HG13 ILE A 3 2.771 13.517 6.437 1.00 0.00 H new ATOM 0 HG21 ILE A 3 0.051 11.264 7.778 1.00 0.00 H new ATOM 0 HG22 ILE A 3 1.154 10.012 8.397 1.00 0.00 H new ATOM 0 HG23 ILE A 3 1.042 11.586 9.221 1.00 0.00 H new ATOM 0 HD11 ILE A 3 0.572 14.533 6.135 1.00 0.00 H new ATOM 0 HD12 ILE A 3 0.632 12.932 5.359 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -0.198 13.134 6.921 1.00 0.00 H new ATOM 61 N SER A 4 4.111 9.514 9.469 1.00 0.00 N ATOM 62 CA SER A 4 4.414 8.135 9.842 1.00 0.00 C ATOM 63 C SER A 4 3.192 7.532 10.555 1.00 0.00 C ATOM 64 O SER A 4 2.848 7.943 11.670 1.00 0.00 O ATOM 65 CB SER A 4 5.662 8.121 10.746 1.00 0.00 C ATOM 66 OG SER A 4 6.086 6.806 10.999 1.00 0.00 O ATOM 0 H SER A 4 4.174 10.169 10.249 1.00 0.00 H new ATOM 0 HA SER A 4 4.627 7.532 8.959 1.00 0.00 H new ATOM 0 HB2 SER A 4 6.467 8.681 10.270 1.00 0.00 H new ATOM 0 HB3 SER A 4 5.439 8.622 11.688 1.00 0.00 H new ATOM 0 HG SER A 4 6.452 6.417 10.178 1.00 0.00 H new ATOM 72 N ILE A 5 2.521 6.595 9.876 1.00 0.00 N ATOM 73 CA ILE A 5 1.332 5.889 10.384 1.00 0.00 C ATOM 74 C ILE A 5 1.643 4.395 10.530 1.00 0.00 C ATOM 75 O ILE A 5 2.715 3.938 10.108 1.00 0.00 O ATOM 76 CB ILE A 5 0.090 6.101 9.436 1.00 0.00 C ATOM 77 CG1 ILE A 5 0.368 5.538 7.998 1.00 0.00 C ATOM 78 CG2 ILE A 5 -0.297 7.595 9.380 1.00 0.00 C ATOM 79 CD1 ILE A 5 -0.761 5.688 7.002 1.00 0.00 C ATOM 0 H ILE A 5 2.792 6.298 8.939 1.00 0.00 H new ATOM 0 HA ILE A 5 1.077 6.303 11.360 1.00 0.00 H new ATOM 0 HB ILE A 5 -0.750 5.543 9.849 1.00 0.00 H new ATOM 0 HG12 ILE A 5 1.250 6.038 7.597 1.00 0.00 H new ATOM 0 HG13 ILE A 5 0.613 4.479 8.084 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -1.156 7.724 8.721 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -0.552 7.943 10.381 1.00 0.00 H new ATOM 0 HG23 ILE A 5 0.543 8.174 8.998 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -0.459 5.265 6.044 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -1.642 5.162 7.369 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -0.996 6.745 6.875 1.00 0.00 H new ATOM 91 N GLU A 6 0.711 3.639 11.132 1.00 0.00 N ATOM 92 CA GLU A 6 0.901 2.200 11.378 1.00 0.00 C ATOM 93 C GLU A 6 -0.402 1.402 11.237 1.00 0.00 C ATOM 94 O GLU A 6 -1.496 1.970 11.193 1.00 0.00 O ATOM 95 CB GLU A 6 1.550 1.990 12.781 1.00 0.00 C ATOM 96 CG GLU A 6 0.712 2.433 14.023 1.00 0.00 C ATOM 97 CD GLU A 6 -0.284 1.368 14.545 1.00 0.00 C ATOM 98 OE1 GLU A 6 0.169 0.351 15.112 1.00 0.00 O ATOM 99 OE2 GLU A 6 -1.518 1.534 14.395 1.00 0.00 O ATOM 0 H GLU A 6 -0.185 4.002 11.458 1.00 0.00 H new ATOM 0 HA GLU A 6 1.574 1.814 10.612 1.00 0.00 H new ATOM 0 HB2 GLU A 6 1.785 0.931 12.891 1.00 0.00 H new ATOM 0 HB3 GLU A 6 2.497 2.530 12.801 1.00 0.00 H new ATOM 0 HG2 GLU A 6 1.396 2.698 14.830 1.00 0.00 H new ATOM 0 HG3 GLU A 6 0.157 3.335 13.767 1.00 0.00 H new ATOM 106 N ALA A 7 -0.243 0.074 11.173 1.00 0.00 N ATOM 107 CA ALA A 7 -1.329 -0.907 11.222 1.00 0.00 C ATOM 108 C ALA A 7 -0.727 -2.231 11.693 1.00 0.00 C ATOM 109 O ALA A 7 0.080 -2.832 10.973 1.00 0.00 O ATOM 110 CB ALA A 7 -2.017 -1.066 9.851 1.00 0.00 C ATOM 0 H ALA A 7 0.676 -0.359 11.083 1.00 0.00 H new ATOM 0 HA ALA A 7 -2.103 -0.571 11.912 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -2.817 -1.802 9.929 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -2.434 -0.108 9.540 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -1.287 -1.400 9.114 1.00 0.00 H new ATOM 116 N HIS A 8 -1.096 -2.677 12.902 1.00 0.00 N ATOM 117 CA HIS A 8 -0.537 -3.896 13.498 1.00 0.00 C ATOM 118 C HIS A 8 -1.497 -5.060 13.209 1.00 0.00 C ATOM 119 O HIS A 8 -2.586 -5.130 13.760 1.00 0.00 O ATOM 120 CB HIS A 8 -0.239 -3.704 15.016 1.00 0.00 C ATOM 121 CG HIS A 8 -1.383 -3.218 15.882 1.00 0.00 C ATOM 122 ND1 HIS A 8 -1.581 -1.893 16.177 1.00 0.00 N ATOM 123 CD2 HIS A 8 -2.344 -3.894 16.560 1.00 0.00 C ATOM 124 CE1 HIS A 8 -2.604 -1.772 16.999 1.00 0.00 C ATOM 125 NE2 HIS A 8 -3.085 -2.970 17.248 1.00 0.00 N ATOM 0 H HIS A 8 -1.785 -2.207 13.489 1.00 0.00 H new ATOM 0 HA HIS A 8 0.428 -4.128 13.048 1.00 0.00 H new ATOM 0 HB2 HIS A 8 0.109 -4.656 15.417 1.00 0.00 H new ATOM 0 HB3 HIS A 8 0.585 -2.997 15.113 1.00 0.00 H new ATOM 0 HD1 HIS A 8 -1.022 -1.120 15.816 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -2.497 -4.963 16.558 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -2.984 -0.844 17.401 1.00 0.00 H new ATOM 134 N ILE A 9 -1.085 -5.929 12.280 1.00 0.00 N ATOM 135 CA ILE A 9 -1.896 -7.042 11.760 1.00 0.00 C ATOM 136 C ILE A 9 -1.659 -8.287 12.620 1.00 0.00 C ATOM 137 O ILE A 9 -0.510 -8.641 12.851 1.00 0.00 O ATOM 138 CB ILE A 9 -1.501 -7.337 10.268 1.00 0.00 C ATOM 139 CG1 ILE A 9 -1.517 -6.012 9.443 1.00 0.00 C ATOM 140 CG2 ILE A 9 -2.431 -8.407 9.636 1.00 0.00 C ATOM 141 CD1 ILE A 9 -1.177 -6.166 7.986 1.00 0.00 C ATOM 0 H ILE A 9 -0.158 -5.880 11.857 1.00 0.00 H new ATOM 0 HA ILE A 9 -2.951 -6.772 11.798 1.00 0.00 H new ATOM 0 HB ILE A 9 -0.490 -7.745 10.252 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -2.507 -5.563 9.524 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -0.812 -5.313 9.893 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -2.130 -8.587 8.604 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -2.356 -9.335 10.203 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -3.461 -8.052 9.657 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -1.215 -5.192 7.499 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -0.174 -6.582 7.888 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -1.895 -6.836 7.514 1.00 0.00 H new ATOM 153 N GLU A 10 -2.739 -8.952 13.064 1.00 0.00 N ATOM 154 CA GLU A 10 -2.662 -10.148 13.936 1.00 0.00 C ATOM 155 C GLU A 10 -2.356 -11.400 13.078 1.00 0.00 C ATOM 156 O GLU A 10 -3.151 -12.343 13.005 1.00 0.00 O ATOM 157 CB GLU A 10 -4.003 -10.307 14.720 1.00 0.00 C ATOM 158 CG GLU A 10 -4.551 -9.003 15.345 1.00 0.00 C ATOM 159 CD GLU A 10 -3.536 -8.281 16.249 1.00 0.00 C ATOM 160 OE1 GLU A 10 -3.194 -8.830 17.316 1.00 0.00 O ATOM 161 OE2 GLU A 10 -3.088 -7.162 15.902 1.00 0.00 O ATOM 0 H GLU A 10 -3.694 -8.679 12.831 1.00 0.00 H new ATOM 0 HA GLU A 10 -1.856 -10.031 14.660 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -4.756 -10.713 14.044 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -3.858 -11.040 15.514 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -4.858 -8.328 14.546 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -5.443 -9.235 15.927 1.00 0.00 H new ATOM 168 N GLN A 11 -1.181 -11.379 12.446 1.00 0.00 N ATOM 169 CA GLN A 11 -0.809 -12.331 11.397 1.00 0.00 C ATOM 170 C GLN A 11 0.698 -12.230 11.134 1.00 0.00 C ATOM 171 O GLN A 11 1.315 -11.215 11.466 1.00 0.00 O ATOM 172 CB GLN A 11 -1.648 -12.030 10.116 1.00 0.00 C ATOM 173 CG GLN A 11 -1.414 -12.960 8.919 1.00 0.00 C ATOM 174 CD GLN A 11 -1.760 -14.424 9.177 1.00 0.00 C ATOM 175 OE1 GLN A 11 -0.903 -15.218 9.557 1.00 0.00 O ATOM 176 NE2 GLN A 11 -3.014 -14.774 8.976 1.00 0.00 N ATOM 0 H GLN A 11 -0.453 -10.694 12.650 1.00 0.00 H new ATOM 0 HA GLN A 11 -1.024 -13.353 11.708 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -2.705 -12.072 10.381 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -1.438 -11.008 9.802 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -2.006 -12.603 8.077 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -0.367 -12.894 8.623 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -3.693 -14.081 8.660 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -3.306 -15.738 9.136 1.00 0.00 H new ATOM 185 N GLU A 12 1.276 -13.292 10.557 1.00 0.00 N ATOM 186 CA GLU A 12 2.717 -13.415 10.295 1.00 0.00 C ATOM 187 C GLU A 12 3.135 -12.518 9.117 1.00 0.00 C ATOM 188 O GLU A 12 2.365 -12.353 8.164 1.00 0.00 O ATOM 189 CB GLU A 12 3.042 -14.910 9.991 1.00 0.00 C ATOM 190 CG GLU A 12 2.572 -15.873 11.100 1.00 0.00 C ATOM 191 CD GLU A 12 2.732 -17.358 10.742 1.00 0.00 C ATOM 192 OE1 GLU A 12 1.871 -17.891 10.001 1.00 0.00 O ATOM 193 OE2 GLU A 12 3.709 -17.995 11.195 1.00 0.00 O ATOM 0 H GLU A 12 0.744 -14.107 10.253 1.00 0.00 H new ATOM 0 HA GLU A 12 3.277 -13.088 11.171 1.00 0.00 H new ATOM 0 HB2 GLU A 12 2.571 -15.193 9.050 1.00 0.00 H new ATOM 0 HB3 GLU A 12 4.118 -15.021 9.855 1.00 0.00 H new ATOM 0 HG2 GLU A 12 3.135 -15.666 12.010 1.00 0.00 H new ATOM 0 HG3 GLU A 12 1.523 -15.673 11.321 1.00 0.00 H new ATOM 200 N ILE A 13 4.373 -11.972 9.190 1.00 0.00 N ATOM 201 CA ILE A 13 4.945 -11.055 8.166 1.00 0.00 C ATOM 202 C ILE A 13 4.969 -11.712 6.766 1.00 0.00 C ATOM 203 O ILE A 13 4.906 -11.021 5.745 1.00 0.00 O ATOM 204 CB ILE A 13 6.391 -10.571 8.589 1.00 0.00 C ATOM 205 CG1 ILE A 13 6.985 -9.559 7.549 1.00 0.00 C ATOM 206 CG2 ILE A 13 7.339 -11.778 8.822 1.00 0.00 C ATOM 207 CD1 ILE A 13 8.383 -9.070 7.860 1.00 0.00 C ATOM 0 H ILE A 13 5.010 -12.155 9.966 1.00 0.00 H new ATOM 0 HA ILE A 13 4.297 -10.181 8.107 1.00 0.00 H new ATOM 0 HB ILE A 13 6.299 -10.039 9.536 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.992 -10.032 6.567 1.00 0.00 H new ATOM 0 HG13 ILE A 13 6.321 -8.697 7.483 1.00 0.00 H new ATOM 0 HG21 ILE A 13 8.325 -11.415 9.111 1.00 0.00 H new ATOM 0 HG22 ILE A 13 6.937 -12.409 9.615 1.00 0.00 H new ATOM 0 HG23 ILE A 13 7.421 -12.359 7.903 1.00 0.00 H new ATOM 0 HD11 ILE A 13 8.706 -8.376 7.085 1.00 0.00 H new ATOM 0 HD12 ILE A 13 8.385 -8.563 8.825 1.00 0.00 H new ATOM 0 HD13 ILE A 13 9.066 -9.919 7.895 1.00 0.00 H new ATOM 219 N GLU A 14 5.015 -13.059 6.749 1.00 0.00 N ATOM 220 CA GLU A 14 4.944 -13.862 5.522 1.00 0.00 C ATOM 221 C GLU A 14 3.606 -13.614 4.809 1.00 0.00 C ATOM 222 O GLU A 14 3.583 -13.139 3.673 1.00 0.00 O ATOM 223 CB GLU A 14 5.124 -15.365 5.872 1.00 0.00 C ATOM 224 CG GLU A 14 6.364 -15.673 6.742 1.00 0.00 C ATOM 225 CD GLU A 14 7.697 -15.225 6.105 1.00 0.00 C ATOM 226 OE1 GLU A 14 8.305 -16.015 5.345 1.00 0.00 O ATOM 227 OE2 GLU A 14 8.137 -14.078 6.345 1.00 0.00 O ATOM 0 H GLU A 14 5.103 -13.620 7.596 1.00 0.00 H new ATOM 0 HA GLU A 14 5.746 -13.568 4.845 1.00 0.00 H new ATOM 0 HB2 GLU A 14 4.233 -15.713 6.394 1.00 0.00 H new ATOM 0 HB3 GLU A 14 5.194 -15.936 4.946 1.00 0.00 H new ATOM 0 HG2 GLU A 14 6.250 -15.181 7.708 1.00 0.00 H new ATOM 0 HG3 GLU A 14 6.405 -16.745 6.933 1.00 0.00 H new ATOM 234 N ALA A 15 2.498 -13.886 5.527 1.00 0.00 N ATOM 235 CA ALA A 15 1.128 -13.740 4.988 1.00 0.00 C ATOM 236 C ALA A 15 0.805 -12.289 4.616 1.00 0.00 C ATOM 237 O ALA A 15 0.188 -12.020 3.578 1.00 0.00 O ATOM 238 CB ALA A 15 0.112 -14.291 5.984 1.00 0.00 C ATOM 0 H ALA A 15 2.525 -14.212 6.493 1.00 0.00 H new ATOM 0 HA ALA A 15 1.069 -14.320 4.067 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -0.893 -14.179 5.578 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.315 -15.347 6.164 1.00 0.00 H new ATOM 0 HB3 ALA A 15 0.188 -13.742 6.922 1.00 0.00 H new ATOM 244 N VAL A 16 1.247 -11.383 5.489 1.00 0.00 N ATOM 245 CA VAL A 16 1.128 -9.934 5.292 1.00 0.00 C ATOM 246 C VAL A 16 1.784 -9.509 3.957 1.00 0.00 C ATOM 247 O VAL A 16 1.172 -8.787 3.164 1.00 0.00 O ATOM 248 CB VAL A 16 1.760 -9.170 6.520 1.00 0.00 C ATOM 249 CG1 VAL A 16 1.883 -7.644 6.279 1.00 0.00 C ATOM 250 CG2 VAL A 16 0.954 -9.463 7.815 1.00 0.00 C ATOM 0 H VAL A 16 1.704 -11.636 6.365 1.00 0.00 H new ATOM 0 HA VAL A 16 0.073 -9.667 5.234 1.00 0.00 H new ATOM 0 HB VAL A 16 2.776 -9.547 6.641 1.00 0.00 H new ATOM 0 HG11 VAL A 16 2.324 -7.171 7.157 1.00 0.00 H new ATOM 0 HG12 VAL A 16 2.518 -7.463 5.412 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.894 -7.223 6.099 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.403 -8.928 8.652 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -0.077 -9.133 7.685 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.969 -10.534 8.018 1.00 0.00 H new ATOM 260 N TRP A 17 3.008 -10.017 3.703 1.00 0.00 N ATOM 261 CA TRP A 17 3.754 -9.709 2.471 1.00 0.00 C ATOM 262 C TRP A 17 3.046 -10.255 1.215 1.00 0.00 C ATOM 263 O TRP A 17 2.984 -9.549 0.208 1.00 0.00 O ATOM 264 CB TRP A 17 5.207 -10.241 2.536 1.00 0.00 C ATOM 265 CG TRP A 17 5.998 -10.009 1.257 1.00 0.00 C ATOM 266 CD1 TRP A 17 6.470 -10.962 0.398 1.00 0.00 C ATOM 267 CD2 TRP A 17 6.371 -8.739 0.681 1.00 0.00 C ATOM 268 NE1 TRP A 17 7.105 -10.371 -0.662 1.00 0.00 N ATOM 269 CE2 TRP A 17 7.058 -9.013 -0.514 1.00 0.00 C ATOM 270 CE3 TRP A 17 6.190 -7.405 1.059 1.00 0.00 C ATOM 271 CZ2 TRP A 17 7.560 -8.009 -1.335 1.00 0.00 C ATOM 272 CZ3 TRP A 17 6.692 -6.407 0.243 1.00 0.00 C ATOM 273 CH2 TRP A 17 7.368 -6.713 -0.943 1.00 0.00 C ATOM 0 H TRP A 17 3.500 -10.644 4.339 1.00 0.00 H new ATOM 0 HA TRP A 17 3.787 -8.622 2.395 1.00 0.00 H new ATOM 0 HB2 TRP A 17 5.725 -9.760 3.366 1.00 0.00 H new ATOM 0 HB3 TRP A 17 5.185 -11.309 2.751 1.00 0.00 H new ATOM 0 HD1 TRP A 17 6.358 -12.027 0.535 1.00 0.00 H new ATOM 0 HE1 TRP A 17 7.543 -10.866 -1.439 1.00 0.00 H new ATOM 0 HE3 TRP A 17 5.668 -7.158 1.972 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 8.083 -8.245 -2.250 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 6.560 -5.373 0.527 1.00 0.00 H new ATOM 0 HH2 TRP A 17 7.745 -5.911 -1.560 1.00 0.00 H new ATOM 284 N TRP A 18 2.522 -11.500 1.279 1.00 0.00 N ATOM 285 CA TRP A 18 1.836 -12.139 0.123 1.00 0.00 C ATOM 286 C TRP A 18 0.667 -11.270 -0.342 1.00 0.00 C ATOM 287 O TRP A 18 0.514 -10.988 -1.526 1.00 0.00 O ATOM 288 CB TRP A 18 1.259 -13.531 0.470 1.00 0.00 C ATOM 289 CG TRP A 18 2.217 -14.521 1.070 1.00 0.00 C ATOM 290 CD1 TRP A 18 3.573 -14.605 0.917 1.00 0.00 C ATOM 291 CD2 TRP A 18 1.843 -15.606 1.915 1.00 0.00 C ATOM 292 NE1 TRP A 18 4.060 -15.661 1.645 1.00 0.00 N ATOM 293 CE2 TRP A 18 3.012 -16.293 2.268 1.00 0.00 C ATOM 294 CE3 TRP A 18 0.617 -16.037 2.417 1.00 0.00 C ATOM 295 CZ2 TRP A 18 2.993 -17.403 3.104 1.00 0.00 C ATOM 296 CZ3 TRP A 18 0.593 -17.141 3.243 1.00 0.00 C ATOM 297 CH2 TRP A 18 1.775 -17.811 3.579 1.00 0.00 C ATOM 0 H TRP A 18 2.559 -12.084 2.114 1.00 0.00 H new ATOM 0 HA TRP A 18 2.592 -12.248 -0.655 1.00 0.00 H new ATOM 0 HB2 TRP A 18 0.430 -13.394 1.164 1.00 0.00 H new ATOM 0 HB3 TRP A 18 0.844 -13.965 -0.440 1.00 0.00 H new ATOM 0 HD1 TRP A 18 4.172 -13.939 0.313 1.00 0.00 H new ATOM 0 HE1 TRP A 18 5.041 -15.932 1.713 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -0.296 -15.517 2.165 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 3.902 -17.923 3.368 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -0.350 -17.493 3.635 1.00 0.00 H new ATOM 0 HH2 TRP A 18 1.725 -18.672 4.229 1.00 0.00 H new ATOM 308 N ALA A 19 -0.138 -10.861 0.647 1.00 0.00 N ATOM 309 CA ALA A 19 -1.321 -10.034 0.438 1.00 0.00 C ATOM 310 C ALA A 19 -0.949 -8.631 -0.097 1.00 0.00 C ATOM 311 O ALA A 19 -1.697 -8.049 -0.882 1.00 0.00 O ATOM 312 CB ALA A 19 -2.121 -9.955 1.742 1.00 0.00 C ATOM 0 H ALA A 19 0.021 -11.101 1.625 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.945 -10.496 -0.327 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.006 -9.337 1.589 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.426 -10.957 2.043 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.501 -9.514 2.523 1.00 0.00 H new ATOM 318 N TRP A 20 0.220 -8.101 0.329 1.00 0.00 N ATOM 319 CA TRP A 20 0.714 -6.783 -0.129 1.00 0.00 C ATOM 320 C TRP A 20 1.358 -6.869 -1.534 1.00 0.00 C ATOM 321 O TRP A 20 1.409 -5.868 -2.256 1.00 0.00 O ATOM 322 CB TRP A 20 1.735 -6.185 0.889 1.00 0.00 C ATOM 323 CG TRP A 20 2.102 -4.737 0.582 1.00 0.00 C ATOM 324 CD1 TRP A 20 3.132 -4.286 -0.205 1.00 0.00 C ATOM 325 CD2 TRP A 20 1.423 -3.557 1.041 1.00 0.00 C ATOM 326 NE1 TRP A 20 3.092 -2.917 -0.292 1.00 0.00 N ATOM 327 CE2 TRP A 20 2.065 -2.452 0.471 1.00 0.00 C ATOM 328 CE3 TRP A 20 0.330 -3.334 1.868 1.00 0.00 C ATOM 329 CZ2 TRP A 20 1.646 -1.147 0.699 1.00 0.00 C ATOM 330 CZ3 TRP A 20 -0.084 -2.039 2.104 1.00 0.00 C ATOM 331 CH2 TRP A 20 0.570 -0.958 1.520 1.00 0.00 C ATOM 0 H TRP A 20 0.840 -8.568 0.991 1.00 0.00 H new ATOM 0 HA TRP A 20 -0.151 -6.122 -0.192 1.00 0.00 H new ATOM 0 HB2 TRP A 20 1.315 -6.243 1.893 1.00 0.00 H new ATOM 0 HB3 TRP A 20 2.640 -6.792 0.887 1.00 0.00 H new ATOM 0 HD1 TRP A 20 3.866 -4.916 -0.685 1.00 0.00 H new ATOM 0 HE1 TRP A 20 3.730 -2.340 -0.841 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -0.190 -4.165 2.321 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 2.154 -0.310 0.243 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -0.929 -1.861 2.752 1.00 0.00 H new ATOM 0 HH2 TRP A 20 0.222 0.045 1.719 1.00 0.00 H new ATOM 342 N ASN A 21 1.870 -8.055 -1.905 1.00 0.00 N ATOM 343 CA ASN A 21 2.681 -8.224 -3.134 1.00 0.00 C ATOM 344 C ASN A 21 1.857 -8.733 -4.342 1.00 0.00 C ATOM 345 O ASN A 21 2.094 -8.294 -5.479 1.00 0.00 O ATOM 346 CB ASN A 21 3.868 -9.185 -2.845 1.00 0.00 C ATOM 347 CG ASN A 21 4.842 -9.363 -4.024 1.00 0.00 C ATOM 348 OD1 ASN A 21 5.404 -10.437 -4.210 1.00 0.00 O ATOM 349 ND2 ASN A 21 5.076 -8.313 -4.814 1.00 0.00 N ATOM 0 H ASN A 21 1.739 -8.916 -1.373 1.00 0.00 H new ATOM 0 HA ASN A 21 3.055 -7.238 -3.412 1.00 0.00 H new ATOM 0 HB2 ASN A 21 4.422 -8.810 -1.985 1.00 0.00 H new ATOM 0 HB3 ASN A 21 3.470 -10.161 -2.567 1.00 0.00 H new ATOM 0 HD21 ASN A 21 5.733 -8.395 -5.590 1.00 0.00 H new ATOM 0 HD22 ASN A 21 4.598 -7.429 -4.642 1.00 0.00 H new ATOM 356 N ASP A 22 0.883 -9.625 -4.091 1.00 0.00 N ATOM 357 CA ASP A 22 0.134 -10.339 -5.161 1.00 0.00 C ATOM 358 C ASP A 22 -0.969 -9.428 -5.759 1.00 0.00 C ATOM 359 O ASP A 22 -1.893 -9.070 -5.037 1.00 0.00 O ATOM 360 CB ASP A 22 -0.469 -11.662 -4.607 1.00 0.00 C ATOM 361 CG ASP A 22 -1.278 -12.470 -5.643 1.00 0.00 C ATOM 362 OD1 ASP A 22 -2.472 -12.166 -5.867 1.00 0.00 O ATOM 363 OD2 ASP A 22 -0.718 -13.409 -6.248 1.00 0.00 O ATOM 0 H ASP A 22 0.587 -9.876 -3.148 1.00 0.00 H new ATOM 0 HA ASP A 22 0.827 -10.591 -5.963 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.340 -12.286 -4.227 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.115 -11.428 -3.761 1.00 0.00 H new ATOM 368 N PRO A 23 -0.898 -9.078 -7.097 1.00 0.00 N ATOM 369 CA PRO A 23 -1.827 -8.107 -7.751 1.00 0.00 C ATOM 370 C PRO A 23 -3.327 -8.369 -7.481 1.00 0.00 C ATOM 371 O PRO A 23 -4.095 -7.429 -7.236 1.00 0.00 O ATOM 372 CB PRO A 23 -1.507 -8.278 -9.259 1.00 0.00 C ATOM 373 CG PRO A 23 -0.085 -8.737 -9.301 1.00 0.00 C ATOM 374 CD PRO A 23 0.104 -9.600 -8.076 1.00 0.00 C ATOM 0 HA PRO A 23 -1.673 -7.101 -7.361 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -2.171 -9.007 -9.724 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -1.635 -7.340 -9.799 1.00 0.00 H new ATOM 0 HG2 PRO A 23 0.117 -9.301 -10.212 1.00 0.00 H new ATOM 0 HG3 PRO A 23 0.600 -7.889 -9.292 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -0.070 -10.652 -8.300 1.00 0.00 H new ATOM 0 HD3 PRO A 23 1.119 -9.521 -7.687 1.00 0.00 H new ATOM 382 N ASP A 24 -3.710 -9.655 -7.516 1.00 0.00 N ATOM 383 CA ASP A 24 -5.112 -10.092 -7.369 1.00 0.00 C ATOM 384 C ASP A 24 -5.627 -9.829 -5.954 1.00 0.00 C ATOM 385 O ASP A 24 -6.720 -9.281 -5.782 1.00 0.00 O ATOM 386 CB ASP A 24 -5.245 -11.596 -7.721 1.00 0.00 C ATOM 387 CG ASP A 24 -4.896 -11.888 -9.189 1.00 0.00 C ATOM 388 OD1 ASP A 24 -3.695 -12.069 -9.507 1.00 0.00 O ATOM 389 OD2 ASP A 24 -5.814 -11.906 -10.039 1.00 0.00 O ATOM 0 H ASP A 24 -3.055 -10.426 -7.647 1.00 0.00 H new ATOM 0 HA ASP A 24 -5.722 -9.512 -8.062 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -4.590 -12.177 -7.072 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -6.265 -11.924 -7.521 1.00 0.00 H new ATOM 394 N CYS A 25 -4.821 -10.201 -4.945 1.00 0.00 N ATOM 395 CA CYS A 25 -5.209 -10.027 -3.535 1.00 0.00 C ATOM 396 C CYS A 25 -5.223 -8.532 -3.159 1.00 0.00 C ATOM 397 O CYS A 25 -6.074 -8.101 -2.367 1.00 0.00 O ATOM 398 CB CYS A 25 -4.285 -10.827 -2.601 1.00 0.00 C ATOM 399 SG CYS A 25 -2.578 -10.276 -2.589 1.00 0.00 S ATOM 0 H CYS A 25 -3.902 -10.622 -5.078 1.00 0.00 H new ATOM 0 HA CYS A 25 -6.219 -10.418 -3.409 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -4.679 -10.770 -1.586 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -4.312 -11.876 -2.895 1.00 0.00 H new ATOM 0 HG CYS A 25 -2.390 -9.426 -3.554 1.00 0.00 H new ATOM 405 N ILE A 26 -4.292 -7.749 -3.766 1.00 0.00 N ATOM 406 CA ILE A 26 -4.222 -6.285 -3.587 1.00 0.00 C ATOM 407 C ILE A 26 -5.500 -5.621 -4.097 1.00 0.00 C ATOM 408 O ILE A 26 -6.081 -4.788 -3.409 1.00 0.00 O ATOM 409 CB ILE A 26 -2.992 -5.630 -4.314 1.00 0.00 C ATOM 410 CG1 ILE A 26 -1.647 -6.239 -3.829 1.00 0.00 C ATOM 411 CG2 ILE A 26 -2.993 -4.091 -4.105 1.00 0.00 C ATOM 412 CD1 ILE A 26 -0.456 -5.795 -4.650 1.00 0.00 C ATOM 0 H ILE A 26 -3.574 -8.119 -4.389 1.00 0.00 H new ATOM 0 HA ILE A 26 -4.104 -6.121 -2.516 1.00 0.00 H new ATOM 0 HB ILE A 26 -3.088 -5.843 -5.379 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -1.485 -5.961 -2.788 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.716 -7.326 -3.861 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -2.135 -3.654 -4.615 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -3.911 -3.669 -4.513 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -2.934 -3.868 -3.040 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.450 -6.257 -4.257 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.597 -6.097 -5.688 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -0.362 -4.710 -4.597 1.00 0.00 H new ATOM 424 N ALA A 27 -5.944 -6.053 -5.291 1.00 0.00 N ATOM 425 CA ALA A 27 -7.111 -5.481 -5.997 1.00 0.00 C ATOM 426 C ALA A 27 -8.417 -5.561 -5.172 1.00 0.00 C ATOM 427 O ALA A 27 -9.415 -4.942 -5.527 1.00 0.00 O ATOM 428 CB ALA A 27 -7.280 -6.187 -7.350 1.00 0.00 C ATOM 0 H ALA A 27 -5.500 -6.817 -5.800 1.00 0.00 H new ATOM 0 HA ALA A 27 -6.916 -4.420 -6.150 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -8.139 -5.768 -7.874 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -6.382 -6.041 -7.951 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -7.438 -7.253 -7.187 1.00 0.00 H new ATOM 434 N ARG A 28 -8.387 -6.341 -4.080 1.00 0.00 N ATOM 435 CA ARG A 28 -9.523 -6.523 -3.166 1.00 0.00 C ATOM 436 C ARG A 28 -9.475 -5.525 -1.982 1.00 0.00 C ATOM 437 O ARG A 28 -10.526 -5.068 -1.515 1.00 0.00 O ATOM 438 CB ARG A 28 -9.505 -7.983 -2.667 1.00 0.00 C ATOM 439 CG ARG A 28 -9.524 -9.011 -3.822 1.00 0.00 C ATOM 440 CD ARG A 28 -9.388 -10.460 -3.348 1.00 0.00 C ATOM 441 NE ARG A 28 -10.476 -10.859 -2.443 1.00 0.00 N ATOM 442 CZ ARG A 28 -10.642 -12.081 -1.921 1.00 0.00 C ATOM 443 NH1 ARG A 28 -9.794 -13.060 -2.205 1.00 0.00 N ATOM 444 NH2 ARG A 28 -11.639 -12.294 -1.083 1.00 0.00 N ATOM 0 H ARG A 28 -7.560 -6.870 -3.804 1.00 0.00 H new ATOM 0 HA ARG A 28 -10.453 -6.320 -3.697 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -8.615 -8.143 -2.059 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -10.367 -8.152 -2.022 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -10.455 -8.904 -4.378 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -8.712 -8.785 -4.513 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -9.378 -11.123 -4.213 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -8.432 -10.585 -2.839 1.00 0.00 H new ATOM 0 HE ARG A 28 -11.161 -10.146 -2.192 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -9.005 -12.886 -2.827 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -9.931 -13.987 -1.801 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -12.272 -11.532 -0.840 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -11.776 -13.220 -0.679 1.00 0.00 H new ATOM 458 N TRP A 29 -8.262 -5.189 -1.485 1.00 0.00 N ATOM 459 CA TRP A 29 -8.113 -4.296 -0.302 1.00 0.00 C ATOM 460 C TRP A 29 -7.712 -2.851 -0.660 1.00 0.00 C ATOM 461 O TRP A 29 -7.898 -1.948 0.166 1.00 0.00 O ATOM 462 CB TRP A 29 -7.125 -4.887 0.750 1.00 0.00 C ATOM 463 CG TRP A 29 -5.701 -5.128 0.294 1.00 0.00 C ATOM 464 CD1 TRP A 29 -5.144 -6.331 -0.016 1.00 0.00 C ATOM 465 CD2 TRP A 29 -4.637 -4.156 0.138 1.00 0.00 C ATOM 466 NE1 TRP A 29 -3.842 -6.172 -0.377 1.00 0.00 N ATOM 467 CE2 TRP A 29 -3.507 -4.853 -0.300 1.00 0.00 C ATOM 468 CE3 TRP A 29 -4.541 -2.769 0.306 1.00 0.00 C ATOM 469 CZ2 TRP A 29 -2.299 -4.226 -0.568 1.00 0.00 C ATOM 470 CZ3 TRP A 29 -3.343 -2.145 0.038 1.00 0.00 C ATOM 471 CH2 TRP A 29 -2.238 -2.872 -0.401 1.00 0.00 C ATOM 0 H TRP A 29 -7.379 -5.516 -1.876 1.00 0.00 H new ATOM 0 HA TRP A 29 -9.108 -4.244 0.139 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -7.097 -4.212 1.606 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -7.533 -5.834 1.104 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -5.662 -7.278 0.020 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -3.214 -6.924 -0.661 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -5.394 -2.197 0.641 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -1.438 -4.788 -0.897 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -3.259 -1.076 0.170 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -1.314 -2.354 -0.613 1.00 0.00 H new ATOM 482 N ASN A 30 -7.156 -2.614 -1.865 1.00 0.00 N ATOM 483 CA ASN A 30 -6.610 -1.279 -2.229 1.00 0.00 C ATOM 484 C ASN A 30 -7.714 -0.218 -2.412 1.00 0.00 C ATOM 485 O ASN A 30 -7.451 0.968 -2.212 1.00 0.00 O ATOM 486 CB ASN A 30 -5.672 -1.332 -3.484 1.00 0.00 C ATOM 487 CG ASN A 30 -6.237 -1.994 -4.765 1.00 0.00 C ATOM 488 OD1 ASN A 30 -5.470 -2.435 -5.618 1.00 0.00 O ATOM 489 ND2 ASN A 30 -7.549 -2.124 -4.910 1.00 0.00 N ATOM 0 H ASN A 30 -7.071 -3.317 -2.599 1.00 0.00 H new ATOM 0 HA ASN A 30 -6.000 -0.973 -1.379 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -5.382 -0.311 -3.732 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -4.762 -1.863 -3.203 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -7.927 -2.592 -5.733 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -8.180 -1.756 -4.198 1.00 0.00 H new ATOM 496 N ALA A 31 -8.954 -0.677 -2.720 1.00 0.00 N ATOM 497 CA ALA A 31 -10.077 0.191 -3.123 1.00 0.00 C ATOM 498 C ALA A 31 -10.317 1.320 -2.112 1.00 0.00 C ATOM 499 O ALA A 31 -10.676 1.055 -0.959 1.00 0.00 O ATOM 500 CB ALA A 31 -11.349 -0.646 -3.307 1.00 0.00 C ATOM 0 H ALA A 31 -9.198 -1.667 -2.694 1.00 0.00 H new ATOM 0 HA ALA A 31 -9.814 0.657 -4.073 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -12.172 0.004 -3.604 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -11.182 -1.397 -4.079 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -11.598 -1.141 -2.368 1.00 0.00 H new ATOM 506 N ALA A 32 -10.055 2.566 -2.550 1.00 0.00 N ATOM 507 CA ALA A 32 -10.269 3.780 -1.734 1.00 0.00 C ATOM 508 C ALA A 32 -11.764 3.950 -1.364 1.00 0.00 C ATOM 509 O ALA A 32 -12.094 4.591 -0.363 1.00 0.00 O ATOM 510 CB ALA A 32 -9.732 5.020 -2.483 1.00 0.00 C ATOM 0 H ALA A 32 -9.688 2.761 -3.481 1.00 0.00 H new ATOM 0 HA ALA A 32 -9.716 3.673 -0.801 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -9.893 5.910 -1.875 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -8.665 4.898 -2.671 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -10.258 5.128 -3.432 1.00 0.00 H new ATOM 516 N SER A 33 -12.646 3.366 -2.200 1.00 0.00 N ATOM 517 CA SER A 33 -14.095 3.303 -1.962 1.00 0.00 C ATOM 518 C SER A 33 -14.631 1.931 -2.415 1.00 0.00 C ATOM 519 O SER A 33 -14.114 1.347 -3.377 1.00 0.00 O ATOM 520 CB SER A 33 -14.804 4.444 -2.732 1.00 0.00 C ATOM 521 OG SER A 33 -16.207 4.429 -2.529 1.00 0.00 O ATOM 0 H SER A 33 -12.363 2.919 -3.072 1.00 0.00 H new ATOM 0 HA SER A 33 -14.296 3.426 -0.898 1.00 0.00 H new ATOM 0 HB2 SER A 33 -14.401 5.404 -2.409 1.00 0.00 H new ATOM 0 HB3 SER A 33 -14.591 4.350 -3.797 1.00 0.00 H new ATOM 0 HG SER A 33 -16.618 5.165 -3.030 1.00 0.00 H new ATOM 527 N SER A 34 -15.663 1.426 -1.707 1.00 0.00 N ATOM 528 CA SER A 34 -16.380 0.182 -2.078 1.00 0.00 C ATOM 529 C SER A 34 -17.234 0.391 -3.350 1.00 0.00 C ATOM 530 O SER A 34 -17.562 -0.564 -4.054 1.00 0.00 O ATOM 531 CB SER A 34 -17.270 -0.279 -0.899 1.00 0.00 C ATOM 532 OG SER A 34 -16.503 -0.474 0.279 1.00 0.00 O ATOM 0 H SER A 34 -16.025 1.867 -0.862 1.00 0.00 H new ATOM 0 HA SER A 34 -15.643 -0.592 -2.295 1.00 0.00 H new ATOM 0 HB2 SER A 34 -18.045 0.465 -0.712 1.00 0.00 H new ATOM 0 HB3 SER A 34 -17.777 -1.207 -1.164 1.00 0.00 H new ATOM 0 HG SER A 34 -17.091 -0.763 1.008 1.00 0.00 H new ATOM 538 N ASP A 35 -17.562 1.666 -3.626 1.00 0.00 N ATOM 539 CA ASP A 35 -18.298 2.099 -4.834 1.00 0.00 C ATOM 540 C ASP A 35 -17.398 2.007 -6.092 1.00 0.00 C ATOM 541 O ASP A 35 -17.875 2.067 -7.227 1.00 0.00 O ATOM 542 CB ASP A 35 -18.810 3.548 -4.597 1.00 0.00 C ATOM 543 CG ASP A 35 -19.680 4.105 -5.732 1.00 0.00 C ATOM 544 OD1 ASP A 35 -20.862 3.715 -5.828 1.00 0.00 O ATOM 545 OD2 ASP A 35 -19.180 4.913 -6.551 1.00 0.00 O ATOM 0 H ASP A 35 -17.320 2.440 -3.007 1.00 0.00 H new ATOM 0 HA ASP A 35 -19.148 1.441 -5.012 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -19.384 3.571 -3.671 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -17.952 4.205 -4.457 1.00 0.00 H new ATOM 550 N TRP A 36 -16.083 1.820 -5.866 1.00 0.00 N ATOM 551 CA TRP A 36 -15.060 1.738 -6.924 1.00 0.00 C ATOM 552 C TRP A 36 -14.469 0.319 -6.926 1.00 0.00 C ATOM 553 O TRP A 36 -14.672 -0.426 -5.970 1.00 0.00 O ATOM 554 CB TRP A 36 -13.964 2.813 -6.682 1.00 0.00 C ATOM 555 CG TRP A 36 -14.438 4.236 -6.948 1.00 0.00 C ATOM 556 CD1 TRP A 36 -15.514 4.874 -6.388 1.00 0.00 C ATOM 557 CD2 TRP A 36 -13.844 5.194 -7.838 1.00 0.00 C ATOM 558 NE1 TRP A 36 -15.643 6.132 -6.904 1.00 0.00 N ATOM 559 CE2 TRP A 36 -14.630 6.359 -7.786 1.00 0.00 C ATOM 560 CE3 TRP A 36 -12.730 5.171 -8.679 1.00 0.00 C ATOM 561 CZ2 TRP A 36 -14.340 7.488 -8.545 1.00 0.00 C ATOM 562 CZ3 TRP A 36 -12.441 6.289 -9.421 1.00 0.00 C ATOM 563 CH2 TRP A 36 -13.243 7.436 -9.353 1.00 0.00 C ATOM 0 H TRP A 36 -15.697 1.720 -4.927 1.00 0.00 H new ATOM 0 HA TRP A 36 -15.503 1.935 -7.900 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -13.617 2.741 -5.651 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -13.108 2.598 -7.322 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -16.167 4.443 -5.644 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -16.380 6.796 -6.667 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -12.108 4.291 -8.745 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -14.960 8.371 -8.496 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -11.578 6.285 -10.070 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -12.987 8.297 -9.953 1.00 0.00 H new ATOM 574 N HIS A 37 -13.739 -0.043 -7.995 1.00 0.00 N ATOM 575 CA HIS A 37 -13.156 -1.390 -8.173 1.00 0.00 C ATOM 576 C HIS A 37 -11.913 -1.304 -9.073 1.00 0.00 C ATOM 577 O HIS A 37 -11.887 -0.510 -10.016 1.00 0.00 O ATOM 578 CB HIS A 37 -14.186 -2.395 -8.778 1.00 0.00 C ATOM 579 CG HIS A 37 -14.510 -2.207 -10.253 1.00 0.00 C ATOM 580 ND1 HIS A 37 -14.195 -3.143 -11.211 1.00 0.00 N ATOM 581 CD2 HIS A 37 -15.113 -1.192 -10.917 1.00 0.00 C ATOM 582 CE1 HIS A 37 -14.585 -2.714 -12.393 1.00 0.00 C ATOM 583 NE2 HIS A 37 -15.144 -1.534 -12.243 1.00 0.00 N ATOM 0 H HIS A 37 -13.534 0.592 -8.766 1.00 0.00 H new ATOM 0 HA HIS A 37 -12.873 -1.763 -7.189 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -13.805 -3.406 -8.636 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -15.113 -2.321 -8.210 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -15.498 -0.282 -10.482 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -14.466 -3.242 -13.327 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -15.537 -0.965 -12.993 1.00 0.00 H new ATOM 592 N THR A 38 -10.910 -2.149 -8.803 1.00 0.00 N ATOM 593 CA THR A 38 -9.656 -2.143 -9.556 1.00 0.00 C ATOM 594 C THR A 38 -9.787 -3.034 -10.800 1.00 0.00 C ATOM 595 O THR A 38 -9.775 -4.268 -10.706 1.00 0.00 O ATOM 596 CB THR A 38 -8.468 -2.586 -8.657 1.00 0.00 C ATOM 597 OG1 THR A 38 -8.431 -1.747 -7.498 1.00 0.00 O ATOM 598 CG2 THR A 38 -7.121 -2.482 -9.386 1.00 0.00 C ATOM 0 H THR A 38 -10.947 -2.849 -8.062 1.00 0.00 H new ATOM 0 HA THR A 38 -9.447 -1.126 -9.887 1.00 0.00 H new ATOM 0 HB THR A 38 -8.623 -3.630 -8.386 1.00 0.00 H new ATOM 0 HG1 THR A 38 -7.522 -1.402 -7.373 1.00 0.00 H new ATOM 0 HG21 THR A 38 -6.321 -2.802 -8.719 1.00 0.00 H new ATOM 0 HG22 THR A 38 -7.135 -3.121 -10.269 1.00 0.00 H new ATOM 0 HG23 THR A 38 -6.950 -1.449 -9.689 1.00 0.00 H new ATOM 606 N THR A 39 -9.914 -2.378 -11.955 1.00 0.00 N ATOM 607 CA THR A 39 -10.179 -3.016 -13.248 1.00 0.00 C ATOM 608 C THR A 39 -8.874 -3.528 -13.900 1.00 0.00 C ATOM 609 O THR A 39 -8.910 -4.351 -14.816 1.00 0.00 O ATOM 610 CB THR A 39 -10.879 -1.970 -14.184 1.00 0.00 C ATOM 611 OG1 THR A 39 -11.892 -1.264 -13.450 1.00 0.00 O ATOM 612 CG2 THR A 39 -11.524 -2.612 -15.423 1.00 0.00 C ATOM 0 H THR A 39 -9.834 -1.363 -12.020 1.00 0.00 H new ATOM 0 HA THR A 39 -10.827 -3.879 -13.095 1.00 0.00 H new ATOM 0 HB THR A 39 -10.101 -1.290 -14.530 1.00 0.00 H new ATOM 0 HG1 THR A 39 -12.431 -0.728 -14.069 1.00 0.00 H new ATOM 0 HG21 THR A 39 -11.992 -1.838 -16.032 1.00 0.00 H new ATOM 0 HG22 THR A 39 -10.759 -3.121 -16.009 1.00 0.00 H new ATOM 0 HG23 THR A 39 -12.279 -3.332 -15.108 1.00 0.00 H new ATOM 620 N GLY A 40 -7.725 -3.015 -13.425 1.00 0.00 N ATOM 621 CA GLY A 40 -6.412 -3.449 -13.901 1.00 0.00 C ATOM 622 C GLY A 40 -5.365 -3.326 -12.808 1.00 0.00 C ATOM 623 O GLY A 40 -4.844 -2.233 -12.562 1.00 0.00 O ATOM 0 H GLY A 40 -7.687 -2.293 -12.705 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -6.468 -4.483 -14.240 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.117 -2.848 -14.761 1.00 0.00 H new ATOM 627 N SER A 41 -5.090 -4.448 -12.127 1.00 0.00 N ATOM 628 CA SER A 41 -4.086 -4.524 -11.058 1.00 0.00 C ATOM 629 C SER A 41 -2.880 -5.335 -11.562 1.00 0.00 C ATOM 630 O SER A 41 -2.969 -6.558 -11.736 1.00 0.00 O ATOM 631 CB SER A 41 -4.682 -5.158 -9.779 1.00 0.00 C ATOM 632 OG SER A 41 -3.816 -4.974 -8.667 1.00 0.00 O ATOM 0 H SER A 41 -5.562 -5.334 -12.305 1.00 0.00 H new ATOM 0 HA SER A 41 -3.762 -3.516 -10.798 1.00 0.00 H new ATOM 0 HB2 SER A 41 -5.653 -4.711 -9.566 1.00 0.00 H new ATOM 0 HB3 SER A 41 -4.850 -6.223 -9.941 1.00 0.00 H new ATOM 0 HG SER A 41 -3.533 -4.037 -8.624 1.00 0.00 H new ATOM 638 N ARG A 42 -1.788 -4.630 -11.857 1.00 0.00 N ATOM 639 CA ARG A 42 -0.506 -5.216 -12.261 1.00 0.00 C ATOM 640 C ARG A 42 0.573 -4.747 -11.282 1.00 0.00 C ATOM 641 O ARG A 42 0.584 -3.582 -10.897 1.00 0.00 O ATOM 642 CB ARG A 42 -0.166 -4.777 -13.711 1.00 0.00 C ATOM 643 CG ARG A 42 1.229 -5.206 -14.216 1.00 0.00 C ATOM 644 CD ARG A 42 1.496 -4.791 -15.676 1.00 0.00 C ATOM 645 NE ARG A 42 0.610 -5.499 -16.622 1.00 0.00 N ATOM 646 CZ ARG A 42 0.543 -5.286 -17.946 1.00 0.00 C ATOM 647 NH1 ARG A 42 1.304 -4.375 -18.540 1.00 0.00 N ATOM 648 NH2 ARG A 42 -0.278 -6.025 -18.677 1.00 0.00 N ATOM 0 H ARG A 42 -1.768 -3.611 -11.821 1.00 0.00 H new ATOM 0 HA ARG A 42 -0.561 -6.304 -12.240 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -0.920 -5.185 -14.384 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -0.239 -3.691 -13.772 1.00 0.00 H new ATOM 0 HG2 ARG A 42 1.992 -4.767 -13.574 1.00 0.00 H new ATOM 0 HG3 ARG A 42 1.324 -6.288 -14.129 1.00 0.00 H new ATOM 0 HD2 ARG A 42 1.352 -3.716 -15.780 1.00 0.00 H new ATOM 0 HD3 ARG A 42 2.536 -4.999 -15.928 1.00 0.00 H new ATOM 0 HE ARG A 42 -0.006 -6.214 -16.235 1.00 0.00 H new ATOM 0 HH11 ARG A 42 1.958 -3.819 -17.989 1.00 0.00 H new ATOM 0 HH12 ARG A 42 1.235 -4.231 -19.547 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -0.849 -6.744 -18.233 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -0.340 -5.875 -19.684 1.00 0.00 H new ATOM 662 N VAL A 43 1.433 -5.668 -10.834 1.00 0.00 N ATOM 663 CA VAL A 43 2.602 -5.356 -9.986 1.00 0.00 C ATOM 664 C VAL A 43 3.873 -5.876 -10.670 1.00 0.00 C ATOM 665 O VAL A 43 4.007 -7.081 -10.892 1.00 0.00 O ATOM 666 CB VAL A 43 2.474 -5.990 -8.538 1.00 0.00 C ATOM 667 CG1 VAL A 43 3.751 -5.755 -7.676 1.00 0.00 C ATOM 668 CG2 VAL A 43 1.208 -5.467 -7.810 1.00 0.00 C ATOM 0 H VAL A 43 1.342 -6.661 -11.048 1.00 0.00 H new ATOM 0 HA VAL A 43 2.652 -4.274 -9.864 1.00 0.00 H new ATOM 0 HB VAL A 43 2.372 -7.067 -8.671 1.00 0.00 H new ATOM 0 HG11 VAL A 43 3.615 -6.207 -6.694 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.611 -6.209 -8.169 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.921 -4.684 -7.562 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.145 -5.918 -6.820 1.00 0.00 H new ATOM 0 HG22 VAL A 43 1.266 -4.383 -7.712 1.00 0.00 H new ATOM 0 HG23 VAL A 43 0.321 -5.732 -8.386 1.00 0.00 H new ATOM 678 N ASP A 44 4.788 -4.963 -11.014 1.00 0.00 N ATOM 679 CA ASP A 44 6.122 -5.309 -11.530 1.00 0.00 C ATOM 680 C ASP A 44 7.124 -5.017 -10.415 1.00 0.00 C ATOM 681 O ASP A 44 7.681 -3.916 -10.358 1.00 0.00 O ATOM 682 CB ASP A 44 6.472 -4.507 -12.817 1.00 0.00 C ATOM 683 CG ASP A 44 5.524 -4.813 -13.987 1.00 0.00 C ATOM 684 OD1 ASP A 44 5.768 -5.793 -14.730 1.00 0.00 O ATOM 685 OD2 ASP A 44 4.524 -4.089 -14.163 1.00 0.00 O ATOM 0 H ASP A 44 4.626 -3.958 -10.943 1.00 0.00 H new ATOM 0 HA ASP A 44 6.151 -6.361 -11.814 1.00 0.00 H new ATOM 0 HB2 ASP A 44 6.436 -3.440 -12.596 1.00 0.00 H new ATOM 0 HB3 ASP A 44 7.495 -4.736 -13.115 1.00 0.00 H new ATOM 690 N LEU A 45 7.282 -5.996 -9.495 1.00 0.00 N ATOM 691 CA LEU A 45 8.118 -5.868 -8.282 1.00 0.00 C ATOM 692 C LEU A 45 9.624 -5.840 -8.651 1.00 0.00 C ATOM 693 O LEU A 45 10.342 -6.833 -8.496 1.00 0.00 O ATOM 694 CB LEU A 45 7.799 -7.033 -7.289 1.00 0.00 C ATOM 695 CG LEU A 45 8.466 -6.937 -5.873 1.00 0.00 C ATOM 696 CD1 LEU A 45 7.826 -5.818 -5.017 1.00 0.00 C ATOM 697 CD2 LEU A 45 8.460 -8.302 -5.135 1.00 0.00 C ATOM 0 H LEU A 45 6.828 -6.906 -9.576 1.00 0.00 H new ATOM 0 HA LEU A 45 7.884 -4.924 -7.791 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.718 -7.084 -7.156 1.00 0.00 H new ATOM 0 HB3 LEU A 45 8.108 -7.971 -7.750 1.00 0.00 H new ATOM 0 HG LEU A 45 9.510 -6.667 -6.029 1.00 0.00 H new ATOM 0 HD11 LEU A 45 8.314 -5.781 -4.043 1.00 0.00 H new ATOM 0 HD12 LEU A 45 7.949 -4.859 -5.521 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.764 -6.024 -4.884 1.00 0.00 H new ATOM 0 HD21 LEU A 45 8.931 -8.190 -4.159 1.00 0.00 H new ATOM 0 HD22 LEU A 45 7.432 -8.641 -5.005 1.00 0.00 H new ATOM 0 HD23 LEU A 45 9.012 -9.036 -5.722 1.00 0.00 H new ATOM 709 N VAL A 46 10.061 -4.701 -9.202 1.00 0.00 N ATOM 710 CA VAL A 46 11.442 -4.437 -9.629 1.00 0.00 C ATOM 711 C VAL A 46 11.755 -2.969 -9.325 1.00 0.00 C ATOM 712 O VAL A 46 10.887 -2.104 -9.501 1.00 0.00 O ATOM 713 CB VAL A 46 11.676 -4.732 -11.177 1.00 0.00 C ATOM 714 CG1 VAL A 46 11.687 -6.254 -11.474 1.00 0.00 C ATOM 715 CG2 VAL A 46 10.626 -4.003 -12.067 1.00 0.00 C ATOM 0 H VAL A 46 9.441 -3.909 -9.369 1.00 0.00 H new ATOM 0 HA VAL A 46 12.107 -5.107 -9.084 1.00 0.00 H new ATOM 0 HB VAL A 46 12.659 -4.335 -11.429 1.00 0.00 H new ATOM 0 HG11 VAL A 46 11.849 -6.416 -12.540 1.00 0.00 H new ATOM 0 HG12 VAL A 46 12.489 -6.729 -10.909 1.00 0.00 H new ATOM 0 HG13 VAL A 46 10.731 -6.689 -11.182 1.00 0.00 H new ATOM 0 HG21 VAL A 46 10.819 -4.229 -13.116 1.00 0.00 H new ATOM 0 HG22 VAL A 46 9.625 -4.342 -11.801 1.00 0.00 H new ATOM 0 HG23 VAL A 46 10.699 -2.927 -11.908 1.00 0.00 H new ATOM 725 N VAL A 47 12.979 -2.698 -8.858 1.00 0.00 N ATOM 726 CA VAL A 47 13.421 -1.337 -8.519 1.00 0.00 C ATOM 727 C VAL A 47 13.618 -0.529 -9.823 1.00 0.00 C ATOM 728 O VAL A 47 14.585 -0.749 -10.556 1.00 0.00 O ATOM 729 CB VAL A 47 14.749 -1.360 -7.672 1.00 0.00 C ATOM 730 CG1 VAL A 47 15.179 0.072 -7.259 1.00 0.00 C ATOM 731 CG2 VAL A 47 14.598 -2.283 -6.433 1.00 0.00 C ATOM 0 H VAL A 47 13.691 -3.412 -8.704 1.00 0.00 H new ATOM 0 HA VAL A 47 12.656 -0.860 -7.907 1.00 0.00 H new ATOM 0 HB VAL A 47 15.540 -1.769 -8.300 1.00 0.00 H new ATOM 0 HG11 VAL A 47 16.098 0.022 -6.676 1.00 0.00 H new ATOM 0 HG12 VAL A 47 15.348 0.673 -8.152 1.00 0.00 H new ATOM 0 HG13 VAL A 47 14.393 0.529 -6.658 1.00 0.00 H new ATOM 0 HG21 VAL A 47 15.528 -2.283 -5.864 1.00 0.00 H new ATOM 0 HG22 VAL A 47 13.787 -1.917 -5.803 1.00 0.00 H new ATOM 0 HG23 VAL A 47 14.373 -3.298 -6.761 1.00 0.00 H new ATOM 741 N GLY A 48 12.655 0.361 -10.111 1.00 0.00 N ATOM 742 CA GLY A 48 12.614 1.146 -11.350 1.00 0.00 C ATOM 743 C GLY A 48 11.315 0.921 -12.122 1.00 0.00 C ATOM 744 O GLY A 48 10.944 1.729 -12.984 1.00 0.00 O ATOM 0 H GLY A 48 11.876 0.556 -9.482 1.00 0.00 H new ATOM 0 HA2 GLY A 48 12.717 2.205 -11.113 1.00 0.00 H new ATOM 0 HA3 GLY A 48 13.462 0.876 -11.979 1.00 0.00 H new ATOM 748 N GLY A 49 10.628 -0.197 -11.806 1.00 0.00 N ATOM 749 CA GLY A 49 9.308 -0.517 -12.364 1.00 0.00 C ATOM 750 C GLY A 49 8.187 -0.014 -11.472 1.00 0.00 C ATOM 751 O GLY A 49 8.454 0.582 -10.438 1.00 0.00 O ATOM 0 H GLY A 49 10.978 -0.900 -11.156 1.00 0.00 H new ATOM 0 HA2 GLY A 49 9.213 -0.072 -13.354 1.00 0.00 H new ATOM 0 HA3 GLY A 49 9.217 -1.596 -12.490 1.00 0.00 H new ATOM 755 N ARG A 50 6.925 -0.271 -11.854 1.00 0.00 N ATOM 756 CA ARG A 50 5.739 0.250 -11.134 1.00 0.00 C ATOM 757 C ARG A 50 4.749 -0.863 -10.791 1.00 0.00 C ATOM 758 O ARG A 50 4.873 -1.996 -11.260 1.00 0.00 O ATOM 759 CB ARG A 50 4.988 1.333 -11.967 1.00 0.00 C ATOM 760 CG ARG A 50 5.735 2.667 -12.154 1.00 0.00 C ATOM 761 CD ARG A 50 4.834 3.746 -12.769 1.00 0.00 C ATOM 762 NE ARG A 50 5.475 5.075 -12.791 1.00 0.00 N ATOM 763 CZ ARG A 50 4.836 6.242 -12.602 1.00 0.00 C ATOM 764 NH1 ARG A 50 3.534 6.271 -12.356 1.00 0.00 N ATOM 765 NH2 ARG A 50 5.504 7.383 -12.686 1.00 0.00 N ATOM 0 H ARG A 50 6.693 -0.843 -12.666 1.00 0.00 H new ATOM 0 HA ARG A 50 6.119 0.695 -10.214 1.00 0.00 H new ATOM 0 HB2 ARG A 50 4.767 0.920 -12.951 1.00 0.00 H new ATOM 0 HB3 ARG A 50 4.032 1.537 -11.485 1.00 0.00 H new ATOM 0 HG2 ARG A 50 6.108 3.012 -11.190 1.00 0.00 H new ATOM 0 HG3 ARG A 50 6.603 2.510 -12.795 1.00 0.00 H new ATOM 0 HD2 ARG A 50 4.570 3.457 -13.786 1.00 0.00 H new ATOM 0 HD3 ARG A 50 3.905 3.804 -12.203 1.00 0.00 H new ATOM 0 HE ARG A 50 6.480 5.111 -12.963 1.00 0.00 H new ATOM 0 HH11 ARG A 50 3.005 5.401 -12.308 1.00 0.00 H new ATOM 0 HH12 ARG A 50 3.061 7.164 -12.214 1.00 0.00 H new ATOM 0 HH21 ARG A 50 6.503 7.375 -12.894 1.00 0.00 H new ATOM 0 HH22 ARG A 50 5.020 8.269 -12.543 1.00 0.00 H new ATOM 779 N PHE A 51 3.757 -0.507 -9.954 1.00 0.00 N ATOM 780 CA PHE A 51 2.543 -1.305 -9.748 1.00 0.00 C ATOM 781 C PHE A 51 1.321 -0.421 -10.057 1.00 0.00 C ATOM 782 O PHE A 51 1.147 0.629 -9.441 1.00 0.00 O ATOM 783 CB PHE A 51 2.472 -1.917 -8.316 1.00 0.00 C ATOM 784 CG PHE A 51 2.392 -0.927 -7.146 1.00 0.00 C ATOM 785 CD1 PHE A 51 3.527 -0.317 -6.651 1.00 0.00 C ATOM 786 CD2 PHE A 51 1.176 -0.625 -6.544 1.00 0.00 C ATOM 787 CE1 PHE A 51 3.456 0.556 -5.598 1.00 0.00 C ATOM 788 CE2 PHE A 51 1.102 0.252 -5.485 1.00 0.00 C ATOM 789 CZ PHE A 51 2.245 0.842 -5.012 1.00 0.00 C ATOM 0 H PHE A 51 3.779 0.349 -9.400 1.00 0.00 H new ATOM 0 HA PHE A 51 2.557 -2.158 -10.427 1.00 0.00 H new ATOM 0 HB2 PHE A 51 1.601 -2.571 -8.268 1.00 0.00 H new ATOM 0 HB3 PHE A 51 3.351 -2.545 -8.171 1.00 0.00 H new ATOM 0 HD1 PHE A 51 4.485 -0.531 -7.101 1.00 0.00 H new ATOM 0 HD2 PHE A 51 0.272 -1.087 -6.914 1.00 0.00 H new ATOM 0 HE1 PHE A 51 4.356 1.022 -5.226 1.00 0.00 H new ATOM 0 HE2 PHE A 51 0.148 0.474 -5.030 1.00 0.00 H new ATOM 0 HZ PHE A 51 2.195 1.530 -4.181 1.00 0.00 H new ATOM 799 N CYS A 52 0.531 -0.819 -11.068 1.00 0.00 N ATOM 800 CA CYS A 52 -0.703 -0.129 -11.460 1.00 0.00 C ATOM 801 C CYS A 52 -1.910 -0.739 -10.749 1.00 0.00 C ATOM 802 O CYS A 52 -2.089 -1.956 -10.771 1.00 0.00 O ATOM 803 CB CYS A 52 -0.903 -0.226 -12.987 1.00 0.00 C ATOM 804 SG CYS A 52 -2.405 0.583 -13.594 1.00 0.00 S ATOM 0 H CYS A 52 0.736 -1.638 -11.640 1.00 0.00 H new ATOM 0 HA CYS A 52 -0.615 0.918 -11.171 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -0.040 0.217 -13.484 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -0.930 -1.278 -13.272 1.00 0.00 H new ATOM 0 HG CYS A 52 -2.480 0.447 -14.885 1.00 0.00 H new ATOM 810 N HIS A 53 -2.706 0.098 -10.069 1.00 0.00 N ATOM 811 CA HIS A 53 -4.032 -0.297 -9.561 1.00 0.00 C ATOM 812 C HIS A 53 -5.064 0.693 -10.096 1.00 0.00 C ATOM 813 O HIS A 53 -5.308 1.743 -9.484 1.00 0.00 O ATOM 814 CB HIS A 53 -4.067 -0.337 -8.011 1.00 0.00 C ATOM 815 CG HIS A 53 -3.027 -1.224 -7.385 1.00 0.00 C ATOM 816 ND1 HIS A 53 -2.608 -2.414 -7.949 1.00 0.00 N ATOM 817 CD2 HIS A 53 -2.306 -1.076 -6.253 1.00 0.00 C ATOM 818 CE1 HIS A 53 -1.679 -2.954 -7.197 1.00 0.00 C ATOM 819 NE2 HIS A 53 -1.471 -2.163 -6.161 1.00 0.00 N ATOM 0 H HIS A 53 -2.453 1.063 -9.855 1.00 0.00 H new ATOM 0 HA HIS A 53 -4.260 -1.306 -9.906 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -3.938 0.677 -7.631 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -5.053 -0.674 -7.691 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -2.373 -0.257 -5.552 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -1.171 -3.887 -7.392 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -0.799 -2.332 -5.413 1.00 0.00 H new ATOM 828 N HIS A 54 -5.629 0.381 -11.271 1.00 0.00 N ATOM 829 CA HIS A 54 -6.627 1.235 -11.912 1.00 0.00 C ATOM 830 C HIS A 54 -7.974 1.083 -11.204 1.00 0.00 C ATOM 831 O HIS A 54 -8.749 0.181 -11.522 1.00 0.00 O ATOM 832 CB HIS A 54 -6.763 0.918 -13.425 1.00 0.00 C ATOM 833 CG HIS A 54 -7.799 1.782 -14.116 1.00 0.00 C ATOM 834 ND1 HIS A 54 -8.823 1.277 -14.889 1.00 0.00 N ATOM 835 CD2 HIS A 54 -7.979 3.125 -14.097 1.00 0.00 C ATOM 836 CE1 HIS A 54 -9.589 2.268 -15.299 1.00 0.00 C ATOM 837 NE2 HIS A 54 -9.100 3.398 -14.834 1.00 0.00 N ATOM 0 H HIS A 54 -5.406 -0.464 -11.797 1.00 0.00 H new ATOM 0 HA HIS A 54 -6.294 2.269 -11.826 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -5.797 1.060 -13.909 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -7.031 -0.131 -13.549 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -7.353 3.847 -13.593 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -10.471 2.169 -15.914 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -9.492 4.326 -14.996 1.00 0.00 H new ATOM 846 N MET A 55 -8.227 1.970 -10.247 1.00 0.00 N ATOM 847 CA MET A 55 -9.522 2.038 -9.561 1.00 0.00 C ATOM 848 C MET A 55 -10.501 2.797 -10.462 1.00 0.00 C ATOM 849 O MET A 55 -10.145 3.814 -11.049 1.00 0.00 O ATOM 850 CB MET A 55 -9.390 2.725 -8.180 1.00 0.00 C ATOM 851 CG MET A 55 -8.367 2.066 -7.251 1.00 0.00 C ATOM 852 SD MET A 55 -8.277 2.869 -5.638 1.00 0.00 S ATOM 853 CE MET A 55 -6.773 2.147 -4.991 1.00 0.00 C ATOM 0 H MET A 55 -7.548 2.659 -9.923 1.00 0.00 H new ATOM 0 HA MET A 55 -9.893 1.030 -9.376 1.00 0.00 H new ATOM 0 HB2 MET A 55 -9.110 3.768 -8.330 1.00 0.00 H new ATOM 0 HB3 MET A 55 -10.364 2.723 -7.690 1.00 0.00 H new ATOM 0 HG2 MET A 55 -8.627 1.016 -7.116 1.00 0.00 H new ATOM 0 HG3 MET A 55 -7.384 2.093 -7.722 1.00 0.00 H new ATOM 0 HE1 MET A 55 -6.501 2.645 -4.061 1.00 0.00 H new ATOM 0 HE2 MET A 55 -6.931 1.085 -4.801 1.00 0.00 H new ATOM 0 HE3 MET A 55 -5.969 2.270 -5.717 1.00 0.00 H new ATOM 863 N ALA A 56 -11.713 2.265 -10.587 1.00 0.00 N ATOM 864 CA ALA A 56 -12.742 2.757 -11.505 1.00 0.00 C ATOM 865 C ALA A 56 -14.103 2.592 -10.835 1.00 0.00 C ATOM 866 O ALA A 56 -14.330 1.596 -10.162 1.00 0.00 O ATOM 867 CB ALA A 56 -12.688 1.965 -12.825 1.00 0.00 C ATOM 0 H ALA A 56 -12.017 1.459 -10.040 1.00 0.00 H new ATOM 0 HA ALA A 56 -12.573 3.809 -11.735 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -13.456 2.336 -13.504 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -11.707 2.090 -13.284 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -12.862 0.908 -12.623 1.00 0.00 H new ATOM 873 N ALA A 57 -14.990 3.578 -10.991 1.00 0.00 N ATOM 874 CA ALA A 57 -16.360 3.511 -10.471 1.00 0.00 C ATOM 875 C ALA A 57 -17.126 2.364 -11.156 1.00 0.00 C ATOM 876 O ALA A 57 -16.981 2.155 -12.358 1.00 0.00 O ATOM 877 CB ALA A 57 -17.062 4.852 -10.679 1.00 0.00 C ATOM 0 H ALA A 57 -14.779 4.447 -11.482 1.00 0.00 H new ATOM 0 HA ALA A 57 -16.334 3.307 -9.401 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -18.079 4.795 -10.290 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -16.516 5.634 -10.152 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -17.093 5.085 -11.743 1.00 0.00 H new ATOM 883 N LYS A 58 -17.912 1.621 -10.378 1.00 0.00 N ATOM 884 CA LYS A 58 -18.633 0.422 -10.857 1.00 0.00 C ATOM 885 C LYS A 58 -19.768 0.789 -11.834 1.00 0.00 C ATOM 886 O LYS A 58 -20.023 0.073 -12.809 1.00 0.00 O ATOM 887 CB LYS A 58 -19.157 -0.378 -9.638 1.00 0.00 C ATOM 888 CG LYS A 58 -18.023 -0.920 -8.736 1.00 0.00 C ATOM 889 CD LYS A 58 -18.541 -1.687 -7.506 1.00 0.00 C ATOM 890 CE LYS A 58 -17.397 -2.354 -6.716 1.00 0.00 C ATOM 891 NZ LYS A 58 -17.888 -3.081 -5.525 1.00 0.00 N ATOM 0 H LYS A 58 -18.073 1.827 -9.392 1.00 0.00 H new ATOM 0 HA LYS A 58 -17.941 -0.206 -11.419 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -19.811 0.261 -9.045 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -19.762 -1.213 -9.992 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -17.383 -1.578 -9.324 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -17.403 -0.088 -8.403 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -19.081 -1.002 -6.853 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -19.252 -2.448 -7.827 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -16.864 -3.046 -7.367 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -16.681 -1.593 -6.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -17.258 -3.884 -5.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -17.901 -2.439 -4.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -18.850 -3.432 -5.705 1.00 0.00 H new ATOM 905 N ASP A 59 -20.416 1.930 -11.572 1.00 0.00 N ATOM 906 CA ASP A 59 -21.528 2.451 -12.384 1.00 0.00 C ATOM 907 C ASP A 59 -21.100 3.702 -13.177 1.00 0.00 C ATOM 908 O ASP A 59 -21.955 4.394 -13.745 1.00 0.00 O ATOM 909 CB ASP A 59 -22.737 2.803 -11.470 1.00 0.00 C ATOM 910 CG ASP A 59 -23.279 1.585 -10.719 1.00 0.00 C ATOM 911 OD1 ASP A 59 -24.147 0.867 -11.274 1.00 0.00 O ATOM 912 OD2 ASP A 59 -22.817 1.315 -9.585 1.00 0.00 O ATOM 0 H ASP A 59 -20.181 2.528 -10.779 1.00 0.00 H new ATOM 0 HA ASP A 59 -21.818 1.675 -13.093 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -22.435 3.564 -10.751 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -23.533 3.235 -12.076 1.00 0.00 H new ATOM 917 N GLY A 60 -19.776 3.977 -13.235 1.00 0.00 N ATOM 918 CA GLY A 60 -19.262 5.218 -13.827 1.00 0.00 C ATOM 919 C GLY A 60 -17.935 5.041 -14.555 1.00 0.00 C ATOM 920 O GLY A 60 -17.149 4.151 -14.229 1.00 0.00 O ATOM 0 H GLY A 60 -19.052 3.353 -12.878 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -20.001 5.611 -14.525 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -19.139 5.963 -13.040 1.00 0.00 H new ATOM 924 N SER A 61 -17.694 5.925 -15.542 1.00 0.00 N ATOM 925 CA SER A 61 -16.449 5.962 -16.335 1.00 0.00 C ATOM 926 C SER A 61 -15.273 6.570 -15.539 1.00 0.00 C ATOM 927 O SER A 61 -14.117 6.456 -15.954 1.00 0.00 O ATOM 928 CB SER A 61 -16.691 6.765 -17.632 1.00 0.00 C ATOM 929 OG SER A 61 -17.180 8.073 -17.351 1.00 0.00 O ATOM 0 H SER A 61 -18.366 6.642 -15.815 1.00 0.00 H new ATOM 0 HA SER A 61 -16.174 4.936 -16.580 1.00 0.00 H new ATOM 0 HB2 SER A 61 -15.761 6.836 -18.196 1.00 0.00 H new ATOM 0 HB3 SER A 61 -17.406 6.235 -18.261 1.00 0.00 H new ATOM 0 HG SER A 61 -17.322 8.557 -18.191 1.00 0.00 H new ATOM 935 N ALA A 62 -15.606 7.227 -14.413 1.00 0.00 N ATOM 936 CA ALA A 62 -14.642 7.853 -13.496 1.00 0.00 C ATOM 937 C ALA A 62 -13.574 6.849 -13.027 1.00 0.00 C ATOM 938 O ALA A 62 -13.911 5.735 -12.627 1.00 0.00 O ATOM 939 CB ALA A 62 -15.389 8.440 -12.298 1.00 0.00 C ATOM 0 H ALA A 62 -16.574 7.339 -14.111 1.00 0.00 H new ATOM 0 HA ALA A 62 -14.125 8.650 -14.030 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -14.676 8.905 -11.617 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -16.101 9.189 -12.645 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -15.923 7.645 -11.777 1.00 0.00 H new ATOM 945 N GLY A 63 -12.290 7.245 -13.084 1.00 0.00 N ATOM 946 CA GLY A 63 -11.193 6.341 -12.750 1.00 0.00 C ATOM 947 C GLY A 63 -9.934 7.064 -12.281 1.00 0.00 C ATOM 948 O GLY A 63 -9.557 8.096 -12.848 1.00 0.00 O ATOM 0 H GLY A 63 -11.995 8.182 -13.358 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -11.522 5.656 -11.969 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -10.951 5.736 -13.624 1.00 0.00 H new ATOM 952 N PHE A 64 -9.292 6.511 -11.231 1.00 0.00 N ATOM 953 CA PHE A 64 -7.972 6.943 -10.736 1.00 0.00 C ATOM 954 C PHE A 64 -7.023 5.734 -10.736 1.00 0.00 C ATOM 955 O PHE A 64 -7.295 4.726 -10.069 1.00 0.00 O ATOM 956 CB PHE A 64 -8.071 7.530 -9.300 1.00 0.00 C ATOM 957 CG PHE A 64 -9.017 8.731 -9.159 1.00 0.00 C ATOM 958 CD1 PHE A 64 -8.876 9.855 -9.979 1.00 0.00 C ATOM 959 CD2 PHE A 64 -10.046 8.733 -8.215 1.00 0.00 C ATOM 960 CE1 PHE A 64 -9.733 10.936 -9.855 1.00 0.00 C ATOM 961 CE2 PHE A 64 -10.900 9.817 -8.096 1.00 0.00 C ATOM 962 CZ PHE A 64 -10.743 10.916 -8.914 1.00 0.00 C ATOM 0 H PHE A 64 -9.685 5.738 -10.695 1.00 0.00 H new ATOM 0 HA PHE A 64 -7.591 7.726 -11.392 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -8.403 6.743 -8.623 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -7.075 7.830 -8.976 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -8.089 9.880 -10.718 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -10.178 7.878 -7.569 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -9.611 11.797 -10.496 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -11.691 9.801 -7.361 1.00 0.00 H new ATOM 0 HZ PHE A 64 -11.410 11.760 -8.819 1.00 0.00 H new ATOM 972 N ASP A 65 -5.928 5.823 -11.503 1.00 0.00 N ATOM 973 CA ASP A 65 -4.858 4.804 -11.512 1.00 0.00 C ATOM 974 C ASP A 65 -3.882 5.069 -10.350 1.00 0.00 C ATOM 975 O ASP A 65 -3.537 6.219 -10.068 1.00 0.00 O ATOM 976 CB ASP A 65 -4.104 4.812 -12.870 1.00 0.00 C ATOM 977 CG ASP A 65 -3.362 6.135 -13.143 1.00 0.00 C ATOM 978 OD1 ASP A 65 -4.036 7.158 -13.406 1.00 0.00 O ATOM 979 OD2 ASP A 65 -2.112 6.167 -13.064 1.00 0.00 O ATOM 0 H ASP A 65 -5.755 6.603 -12.137 1.00 0.00 H new ATOM 0 HA ASP A 65 -5.307 3.819 -11.383 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -3.387 3.991 -12.885 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -4.816 4.629 -13.675 1.00 0.00 H new ATOM 984 N PHE A 66 -3.466 4.002 -9.662 1.00 0.00 N ATOM 985 CA PHE A 66 -2.519 4.074 -8.532 1.00 0.00 C ATOM 986 C PHE A 66 -1.219 3.383 -8.940 1.00 0.00 C ATOM 987 O PHE A 66 -1.033 2.183 -8.710 1.00 0.00 O ATOM 988 CB PHE A 66 -3.151 3.455 -7.252 1.00 0.00 C ATOM 989 CG PHE A 66 -4.194 4.372 -6.598 1.00 0.00 C ATOM 990 CD1 PHE A 66 -5.389 4.688 -7.252 1.00 0.00 C ATOM 991 CD2 PHE A 66 -3.962 4.947 -5.349 1.00 0.00 C ATOM 992 CE1 PHE A 66 -6.314 5.539 -6.680 1.00 0.00 C ATOM 993 CE2 PHE A 66 -4.889 5.802 -4.777 1.00 0.00 C ATOM 994 CZ PHE A 66 -6.066 6.095 -5.442 1.00 0.00 C ATOM 0 H PHE A 66 -3.776 3.053 -9.871 1.00 0.00 H new ATOM 0 HA PHE A 66 -2.292 5.112 -8.290 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -3.619 2.504 -7.507 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -2.362 3.238 -6.532 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -5.592 4.259 -8.222 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -3.047 4.723 -4.821 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -7.231 5.769 -7.202 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -4.693 6.241 -3.810 1.00 0.00 H new ATOM 0 HZ PHE A 66 -6.790 6.758 -4.993 1.00 0.00 H new ATOM 1004 N THR A 67 -0.353 4.159 -9.615 1.00 0.00 N ATOM 1005 CA THR A 67 0.889 3.673 -10.217 1.00 0.00 C ATOM 1006 C THR A 67 2.111 4.204 -9.435 1.00 0.00 C ATOM 1007 O THR A 67 2.463 5.389 -9.532 1.00 0.00 O ATOM 1008 CB THR A 67 0.942 4.091 -11.724 1.00 0.00 C ATOM 1009 OG1 THR A 67 0.815 5.519 -11.850 1.00 0.00 O ATOM 1010 CG2 THR A 67 -0.176 3.415 -12.535 1.00 0.00 C ATOM 0 H THR A 67 -0.504 5.158 -9.757 1.00 0.00 H new ATOM 0 HA THR A 67 0.917 2.585 -10.165 1.00 0.00 H new ATOM 0 HB THR A 67 1.905 3.767 -12.119 1.00 0.00 H new ATOM 0 HG1 THR A 67 1.300 5.956 -11.119 1.00 0.00 H new ATOM 0 HG21 THR A 67 -0.109 3.728 -13.577 1.00 0.00 H new ATOM 0 HG22 THR A 67 -0.067 2.332 -12.473 1.00 0.00 H new ATOM 0 HG23 THR A 67 -1.146 3.705 -12.130 1.00 0.00 H new ATOM 1018 N GLY A 68 2.729 3.321 -8.625 1.00 0.00 N ATOM 1019 CA GLY A 68 3.874 3.685 -7.780 1.00 0.00 C ATOM 1020 C GLY A 68 5.147 2.993 -8.226 1.00 0.00 C ATOM 1021 O GLY A 68 5.147 1.770 -8.381 1.00 0.00 O ATOM 0 H GLY A 68 2.448 2.344 -8.541 1.00 0.00 H new ATOM 0 HA2 GLY A 68 4.018 4.765 -7.809 1.00 0.00 H new ATOM 0 HA3 GLY A 68 3.660 3.420 -6.745 1.00 0.00 H new ATOM 1025 N THR A 69 6.233 3.761 -8.424 1.00 0.00 N ATOM 1026 CA THR A 69 7.516 3.225 -8.899 1.00 0.00 C ATOM 1027 C THR A 69 8.330 2.696 -7.713 1.00 0.00 C ATOM 1028 O THR A 69 8.689 3.481 -6.841 1.00 0.00 O ATOM 1029 CB THR A 69 8.343 4.346 -9.615 1.00 0.00 C ATOM 1030 OG1 THR A 69 7.570 4.926 -10.673 1.00 0.00 O ATOM 1031 CG2 THR A 69 9.681 3.821 -10.186 1.00 0.00 C ATOM 0 H THR A 69 6.244 4.768 -8.259 1.00 0.00 H new ATOM 0 HA THR A 69 7.312 2.417 -9.602 1.00 0.00 H new ATOM 0 HB THR A 69 8.577 5.099 -8.862 1.00 0.00 H new ATOM 0 HG1 THR A 69 8.094 5.627 -11.114 1.00 0.00 H new ATOM 0 HG21 THR A 69 10.215 4.638 -10.672 1.00 0.00 H new ATOM 0 HG22 THR A 69 10.290 3.420 -9.376 1.00 0.00 H new ATOM 0 HG23 THR A 69 9.482 3.034 -10.914 1.00 0.00 H new ATOM 1039 N PHE A 70 8.677 1.394 -7.725 1.00 0.00 N ATOM 1040 CA PHE A 70 9.470 0.759 -6.661 1.00 0.00 C ATOM 1041 C PHE A 70 10.884 1.354 -6.633 1.00 0.00 C ATOM 1042 O PHE A 70 11.588 1.323 -7.640 1.00 0.00 O ATOM 1043 CB PHE A 70 9.554 -0.766 -6.882 1.00 0.00 C ATOM 1044 CG PHE A 70 8.205 -1.482 -6.853 1.00 0.00 C ATOM 1045 CD1 PHE A 70 7.615 -1.828 -5.644 1.00 0.00 C ATOM 1046 CD2 PHE A 70 7.535 -1.814 -8.028 1.00 0.00 C ATOM 1047 CE1 PHE A 70 6.404 -2.485 -5.611 1.00 0.00 C ATOM 1048 CE2 PHE A 70 6.323 -2.470 -7.988 1.00 0.00 C ATOM 1049 CZ PHE A 70 5.762 -2.809 -6.782 1.00 0.00 C ATOM 0 H PHE A 70 8.414 0.755 -8.475 1.00 0.00 H new ATOM 0 HA PHE A 70 8.978 0.949 -5.707 1.00 0.00 H new ATOM 0 HB2 PHE A 70 10.032 -0.956 -7.843 1.00 0.00 H new ATOM 0 HB3 PHE A 70 10.197 -1.197 -6.115 1.00 0.00 H new ATOM 0 HD1 PHE A 70 8.112 -1.579 -4.718 1.00 0.00 H new ATOM 0 HD2 PHE A 70 7.970 -1.554 -8.982 1.00 0.00 H new ATOM 0 HE1 PHE A 70 5.958 -2.746 -4.662 1.00 0.00 H new ATOM 0 HE2 PHE A 70 5.814 -2.718 -8.908 1.00 0.00 H new ATOM 0 HZ PHE A 70 4.816 -3.330 -6.753 1.00 0.00 H new ATOM 1059 N THR A 71 11.257 1.931 -5.493 1.00 0.00 N ATOM 1060 CA THR A 71 12.588 2.517 -5.284 1.00 0.00 C ATOM 1061 C THR A 71 13.363 1.750 -4.207 1.00 0.00 C ATOM 1062 O THR A 71 14.587 1.892 -4.098 1.00 0.00 O ATOM 1063 CB THR A 71 12.452 4.024 -4.908 1.00 0.00 C ATOM 1064 OG1 THR A 71 11.523 4.175 -3.817 1.00 0.00 O ATOM 1065 CG2 THR A 71 11.957 4.850 -6.100 1.00 0.00 C ATOM 0 H THR A 71 10.644 2.008 -4.681 1.00 0.00 H new ATOM 0 HA THR A 71 13.153 2.439 -6.213 1.00 0.00 H new ATOM 0 HB THR A 71 13.438 4.385 -4.615 1.00 0.00 H new ATOM 0 HG1 THR A 71 11.443 5.124 -3.584 1.00 0.00 H new ATOM 0 HG21 THR A 71 11.872 5.897 -5.807 1.00 0.00 H new ATOM 0 HG22 THR A 71 12.665 4.760 -6.924 1.00 0.00 H new ATOM 0 HG23 THR A 71 10.982 4.482 -6.418 1.00 0.00 H new ATOM 1073 N ARG A 72 12.648 0.930 -3.420 1.00 0.00 N ATOM 1074 CA ARG A 72 13.262 0.029 -2.436 1.00 0.00 C ATOM 1075 C ARG A 72 12.399 -1.230 -2.321 1.00 0.00 C ATOM 1076 O ARG A 72 11.229 -1.144 -1.957 1.00 0.00 O ATOM 1077 CB ARG A 72 13.386 0.735 -1.054 1.00 0.00 C ATOM 1078 CG ARG A 72 14.244 -0.008 -0.005 1.00 0.00 C ATOM 1079 CD ARG A 72 15.708 -0.192 -0.465 1.00 0.00 C ATOM 1080 NE ARG A 72 16.324 1.085 -0.891 1.00 0.00 N ATOM 1081 CZ ARG A 72 17.602 1.264 -1.271 1.00 0.00 C ATOM 1082 NH1 ARG A 72 18.460 0.257 -1.274 1.00 0.00 N ATOM 1083 NH2 ARG A 72 18.002 2.459 -1.683 1.00 0.00 N ATOM 0 H ARG A 72 11.630 0.874 -3.449 1.00 0.00 H new ATOM 0 HA ARG A 72 14.266 -0.243 -2.762 1.00 0.00 H new ATOM 0 HB2 ARG A 72 13.810 1.727 -1.209 1.00 0.00 H new ATOM 0 HB3 ARG A 72 12.385 0.876 -0.646 1.00 0.00 H new ATOM 0 HG2 ARG A 72 14.228 0.547 0.933 1.00 0.00 H new ATOM 0 HG3 ARG A 72 13.803 -0.985 0.195 1.00 0.00 H new ATOM 0 HD2 ARG A 72 16.292 -0.621 0.349 1.00 0.00 H new ATOM 0 HD3 ARG A 72 15.741 -0.903 -1.291 1.00 0.00 H new ATOM 0 HE ARG A 72 15.722 1.908 -0.897 1.00 0.00 H new ATOM 0 HH11 ARG A 72 18.156 -0.673 -0.985 1.00 0.00 H new ATOM 0 HH12 ARG A 72 19.425 0.410 -1.565 1.00 0.00 H new ATOM 0 HH21 ARG A 72 17.342 3.236 -1.711 1.00 0.00 H new ATOM 0 HH22 ARG A 72 18.970 2.601 -1.972 1.00 0.00 H new ATOM 1097 N VAL A 73 12.975 -2.390 -2.662 1.00 0.00 N ATOM 1098 CA VAL A 73 12.319 -3.696 -2.529 1.00 0.00 C ATOM 1099 C VAL A 73 13.188 -4.569 -1.605 1.00 0.00 C ATOM 1100 O VAL A 73 14.264 -5.026 -2.010 1.00 0.00 O ATOM 1101 CB VAL A 73 12.118 -4.410 -3.930 1.00 0.00 C ATOM 1102 CG1 VAL A 73 11.342 -5.737 -3.767 1.00 0.00 C ATOM 1103 CG2 VAL A 73 11.409 -3.476 -4.951 1.00 0.00 C ATOM 0 H VAL A 73 13.920 -2.448 -3.042 1.00 0.00 H new ATOM 0 HA VAL A 73 11.324 -3.553 -2.108 1.00 0.00 H new ATOM 0 HB VAL A 73 13.107 -4.639 -4.326 1.00 0.00 H new ATOM 0 HG11 VAL A 73 11.217 -6.208 -4.742 1.00 0.00 H new ATOM 0 HG12 VAL A 73 11.898 -6.406 -3.110 1.00 0.00 H new ATOM 0 HG13 VAL A 73 10.363 -5.535 -3.334 1.00 0.00 H new ATOM 0 HG21 VAL A 73 11.288 -3.999 -5.900 1.00 0.00 H new ATOM 0 HG22 VAL A 73 10.430 -3.193 -4.566 1.00 0.00 H new ATOM 0 HG23 VAL A 73 12.011 -2.581 -5.104 1.00 0.00 H new ATOM 1113 N GLU A 74 12.756 -4.718 -0.338 1.00 0.00 N ATOM 1114 CA GLU A 74 13.444 -5.559 0.669 1.00 0.00 C ATOM 1115 C GLU A 74 12.449 -6.579 1.261 1.00 0.00 C ATOM 1116 O GLU A 74 11.996 -6.437 2.399 1.00 0.00 O ATOM 1117 CB GLU A 74 14.073 -4.662 1.778 1.00 0.00 C ATOM 1118 CG GLU A 74 15.156 -3.683 1.272 1.00 0.00 C ATOM 1119 CD GLU A 74 15.760 -2.824 2.396 1.00 0.00 C ATOM 1120 OE1 GLU A 74 15.093 -1.873 2.852 1.00 0.00 O ATOM 1121 OE2 GLU A 74 16.896 -3.104 2.840 1.00 0.00 O ATOM 0 H GLU A 74 11.918 -4.259 0.020 1.00 0.00 H new ATOM 0 HA GLU A 74 14.254 -6.112 0.193 1.00 0.00 H new ATOM 0 HB2 GLU A 74 13.279 -4.090 2.258 1.00 0.00 H new ATOM 0 HB3 GLU A 74 14.510 -5.304 2.543 1.00 0.00 H new ATOM 0 HG2 GLU A 74 15.951 -4.249 0.787 1.00 0.00 H new ATOM 0 HG3 GLU A 74 14.722 -3.029 0.515 1.00 0.00 H new ATOM 1128 N ALA A 75 12.114 -7.599 0.461 1.00 0.00 N ATOM 1129 CA ALA A 75 11.118 -8.617 0.810 1.00 0.00 C ATOM 1130 C ALA A 75 11.631 -9.546 1.940 1.00 0.00 C ATOM 1131 O ALA A 75 12.797 -9.955 1.901 1.00 0.00 O ATOM 1132 CB ALA A 75 10.771 -9.432 -0.442 1.00 0.00 C ATOM 0 H ALA A 75 12.533 -7.741 -0.458 1.00 0.00 H new ATOM 0 HA ALA A 75 10.223 -8.119 1.182 1.00 0.00 H new ATOM 0 HB1 ALA A 75 10.031 -10.191 -0.189 1.00 0.00 H new ATOM 0 HB2 ALA A 75 10.365 -8.770 -1.206 1.00 0.00 H new ATOM 0 HB3 ALA A 75 11.671 -9.916 -0.822 1.00 0.00 H new ATOM 1138 N PRO A 76 10.787 -9.884 2.974 1.00 0.00 N ATOM 1139 CA PRO A 76 9.413 -9.334 3.178 1.00 0.00 C ATOM 1140 C PRO A 76 9.362 -8.165 4.192 1.00 0.00 C ATOM 1141 O PRO A 76 8.281 -7.734 4.594 1.00 0.00 O ATOM 1142 CB PRO A 76 8.699 -10.583 3.736 1.00 0.00 C ATOM 1143 CG PRO A 76 9.722 -11.236 4.622 1.00 0.00 C ATOM 1144 CD PRO A 76 11.092 -10.900 4.023 1.00 0.00 C ATOM 0 HA PRO A 76 8.979 -8.901 2.277 1.00 0.00 H new ATOM 0 HB2 PRO A 76 7.804 -10.312 4.296 1.00 0.00 H new ATOM 0 HB3 PRO A 76 8.383 -11.251 2.935 1.00 0.00 H new ATOM 0 HG2 PRO A 76 9.644 -10.865 5.644 1.00 0.00 H new ATOM 0 HG3 PRO A 76 9.570 -12.315 4.662 1.00 0.00 H new ATOM 0 HD2 PRO A 76 11.771 -10.503 4.778 1.00 0.00 H new ATOM 0 HD3 PRO A 76 11.569 -11.783 3.597 1.00 0.00 H new ATOM 1152 N THR A 77 10.547 -7.655 4.565 1.00 0.00 N ATOM 1153 CA THR A 77 10.733 -6.773 5.731 1.00 0.00 C ATOM 1154 C THR A 77 10.406 -5.299 5.451 1.00 0.00 C ATOM 1155 O THR A 77 10.170 -4.541 6.394 1.00 0.00 O ATOM 1156 CB THR A 77 12.205 -6.899 6.249 1.00 0.00 C ATOM 1157 OG1 THR A 77 13.127 -6.633 5.173 1.00 0.00 O ATOM 1158 CG2 THR A 77 12.484 -8.298 6.827 1.00 0.00 C ATOM 0 H THR A 77 11.413 -7.845 4.061 1.00 0.00 H new ATOM 0 HA THR A 77 10.024 -7.105 6.489 1.00 0.00 H new ATOM 0 HB THR A 77 12.341 -6.168 7.046 1.00 0.00 H new ATOM 0 HG1 THR A 77 12.626 -6.437 4.354 1.00 0.00 H new ATOM 0 HG21 THR A 77 13.515 -8.348 7.177 1.00 0.00 H new ATOM 0 HG22 THR A 77 11.808 -8.488 7.661 1.00 0.00 H new ATOM 0 HG23 THR A 77 12.326 -9.049 6.053 1.00 0.00 H new ATOM 1166 N ARG A 78 10.400 -4.895 4.173 1.00 0.00 N ATOM 1167 CA ARG A 78 10.227 -3.479 3.784 1.00 0.00 C ATOM 1168 C ARG A 78 9.971 -3.364 2.277 1.00 0.00 C ATOM 1169 O ARG A 78 10.410 -4.201 1.489 1.00 0.00 O ATOM 1170 CB ARG A 78 11.479 -2.649 4.191 1.00 0.00 C ATOM 1171 CG ARG A 78 11.354 -1.113 4.036 1.00 0.00 C ATOM 1172 CD ARG A 78 12.608 -0.361 4.527 1.00 0.00 C ATOM 1173 NE ARG A 78 12.465 1.101 4.410 1.00 0.00 N ATOM 1174 CZ ARG A 78 13.470 1.995 4.449 1.00 0.00 C ATOM 1175 NH1 ARG A 78 14.733 1.609 4.588 1.00 0.00 N ATOM 1176 NH2 ARG A 78 13.186 3.284 4.325 1.00 0.00 N ATOM 0 H ARG A 78 10.513 -5.530 3.383 1.00 0.00 H new ATOM 0 HA ARG A 78 9.361 -3.078 4.310 1.00 0.00 H new ATOM 0 HB2 ARG A 78 11.715 -2.871 5.232 1.00 0.00 H new ATOM 0 HB3 ARG A 78 12.325 -2.987 3.593 1.00 0.00 H new ATOM 0 HG2 ARG A 78 11.177 -0.871 2.988 1.00 0.00 H new ATOM 0 HG3 ARG A 78 10.485 -0.765 4.594 1.00 0.00 H new ATOM 0 HD2 ARG A 78 12.802 -0.623 5.567 1.00 0.00 H new ATOM 0 HD3 ARG A 78 13.473 -0.687 3.950 1.00 0.00 H new ATOM 0 HE ARG A 78 11.521 1.468 4.289 1.00 0.00 H new ATOM 0 HH11 ARG A 78 14.957 0.617 4.668 1.00 0.00 H new ATOM 0 HH12 ARG A 78 15.479 2.304 4.615 1.00 0.00 H new ATOM 0 HH21 ARG A 78 12.219 3.584 4.202 1.00 0.00 H new ATOM 0 HH22 ARG A 78 13.935 3.976 4.352 1.00 0.00 H new ATOM 1190 N LEU A 79 9.244 -2.318 1.907 1.00 0.00 N ATOM 1191 CA LEU A 79 8.972 -1.955 0.520 1.00 0.00 C ATOM 1192 C LEU A 79 8.797 -0.433 0.462 1.00 0.00 C ATOM 1193 O LEU A 79 8.411 0.178 1.458 1.00 0.00 O ATOM 1194 CB LEU A 79 7.703 -2.688 0.003 1.00 0.00 C ATOM 1195 CG LEU A 79 7.430 -2.560 -1.528 1.00 0.00 C ATOM 1196 CD1 LEU A 79 8.591 -3.169 -2.352 1.00 0.00 C ATOM 1197 CD2 LEU A 79 6.079 -3.200 -1.907 1.00 0.00 C ATOM 0 H LEU A 79 8.816 -1.682 2.579 1.00 0.00 H new ATOM 0 HA LEU A 79 9.798 -2.257 -0.124 1.00 0.00 H new ATOM 0 HB2 LEU A 79 7.789 -3.746 0.252 1.00 0.00 H new ATOM 0 HB3 LEU A 79 6.837 -2.303 0.542 1.00 0.00 H new ATOM 0 HG LEU A 79 7.372 -1.499 -1.770 1.00 0.00 H new ATOM 0 HD11 LEU A 79 8.375 -3.067 -3.416 1.00 0.00 H new ATOM 0 HD12 LEU A 79 9.518 -2.645 -2.118 1.00 0.00 H new ATOM 0 HD13 LEU A 79 8.699 -4.225 -2.104 1.00 0.00 H new ATOM 0 HD21 LEU A 79 5.915 -3.096 -2.980 1.00 0.00 H new ATOM 0 HD22 LEU A 79 6.090 -4.257 -1.643 1.00 0.00 H new ATOM 0 HD23 LEU A 79 5.275 -2.700 -1.367 1.00 0.00 H new ATOM 1209 N SER A 80 9.112 0.176 -0.678 1.00 0.00 N ATOM 1210 CA SER A 80 8.916 1.605 -0.891 1.00 0.00 C ATOM 1211 C SER A 80 8.687 1.876 -2.370 1.00 0.00 C ATOM 1212 O SER A 80 9.173 1.135 -3.239 1.00 0.00 O ATOM 1213 CB SER A 80 10.119 2.422 -0.381 1.00 0.00 C ATOM 1214 OG SER A 80 9.867 3.818 -0.458 1.00 0.00 O ATOM 0 H SER A 80 9.511 -0.310 -1.481 1.00 0.00 H new ATOM 0 HA SER A 80 8.039 1.917 -0.323 1.00 0.00 H new ATOM 0 HB2 SER A 80 10.337 2.146 0.651 1.00 0.00 H new ATOM 0 HB3 SER A 80 11.003 2.177 -0.970 1.00 0.00 H new ATOM 0 HG SER A 80 8.905 3.982 -0.373 1.00 0.00 H new ATOM 1220 N PHE A 81 7.975 2.972 -2.635 1.00 0.00 N ATOM 1221 CA PHE A 81 7.593 3.392 -3.976 1.00 0.00 C ATOM 1222 C PHE A 81 7.368 4.907 -4.001 1.00 0.00 C ATOM 1223 O PHE A 81 7.127 5.518 -2.972 1.00 0.00 O ATOM 1224 CB PHE A 81 6.321 2.642 -4.448 1.00 0.00 C ATOM 1225 CG PHE A 81 5.087 2.804 -3.534 1.00 0.00 C ATOM 1226 CD1 PHE A 81 4.905 1.974 -2.425 1.00 0.00 C ATOM 1227 CD2 PHE A 81 4.100 3.760 -3.809 1.00 0.00 C ATOM 1228 CE1 PHE A 81 3.789 2.097 -1.620 1.00 0.00 C ATOM 1229 CE2 PHE A 81 2.988 3.883 -3.000 1.00 0.00 C ATOM 1230 CZ PHE A 81 2.827 3.046 -1.909 1.00 0.00 C ATOM 0 H PHE A 81 7.643 3.603 -1.906 1.00 0.00 H new ATOM 0 HA PHE A 81 8.401 3.143 -4.664 1.00 0.00 H new ATOM 0 HB2 PHE A 81 6.062 2.992 -5.447 1.00 0.00 H new ATOM 0 HB3 PHE A 81 6.554 1.581 -4.532 1.00 0.00 H new ATOM 0 HD1 PHE A 81 5.648 1.225 -2.194 1.00 0.00 H new ATOM 0 HD2 PHE A 81 4.211 4.409 -4.665 1.00 0.00 H new ATOM 0 HE1 PHE A 81 3.668 1.450 -0.763 1.00 0.00 H new ATOM 0 HE2 PHE A 81 2.243 4.633 -3.219 1.00 0.00 H new ATOM 0 HZ PHE A 81 1.950 3.135 -1.284 1.00 0.00 H new ATOM 1240 N VAL A 82 7.439 5.498 -5.195 1.00 0.00 N ATOM 1241 CA VAL A 82 7.210 6.935 -5.416 1.00 0.00 C ATOM 1242 C VAL A 82 5.960 7.108 -6.282 1.00 0.00 C ATOM 1243 O VAL A 82 5.759 6.351 -7.228 1.00 0.00 O ATOM 1244 CB VAL A 82 8.460 7.597 -6.121 1.00 0.00 C ATOM 1245 CG1 VAL A 82 8.234 9.096 -6.436 1.00 0.00 C ATOM 1246 CG2 VAL A 82 9.720 7.408 -5.255 1.00 0.00 C ATOM 0 H VAL A 82 7.660 4.988 -6.051 1.00 0.00 H new ATOM 0 HA VAL A 82 7.065 7.430 -4.456 1.00 0.00 H new ATOM 0 HB VAL A 82 8.601 7.091 -7.076 1.00 0.00 H new ATOM 0 HG11 VAL A 82 9.122 9.504 -6.920 1.00 0.00 H new ATOM 0 HG12 VAL A 82 7.377 9.203 -7.101 1.00 0.00 H new ATOM 0 HG13 VAL A 82 8.044 9.638 -5.509 1.00 0.00 H new ATOM 0 HG21 VAL A 82 10.575 7.868 -5.751 1.00 0.00 H new ATOM 0 HG22 VAL A 82 9.568 7.878 -4.284 1.00 0.00 H new ATOM 0 HG23 VAL A 82 9.910 6.344 -5.117 1.00 0.00 H new ATOM 1256 N MET A 83 5.121 8.095 -5.947 1.00 0.00 N ATOM 1257 CA MET A 83 3.958 8.464 -6.777 1.00 0.00 C ATOM 1258 C MET A 83 4.399 9.511 -7.812 1.00 0.00 C ATOM 1259 O MET A 83 5.478 10.091 -7.674 1.00 0.00 O ATOM 1260 CB MET A 83 2.817 9.009 -5.888 1.00 0.00 C ATOM 1261 CG MET A 83 2.290 8.008 -4.854 1.00 0.00 C ATOM 1262 SD MET A 83 0.839 8.629 -3.974 1.00 0.00 S ATOM 1263 CE MET A 83 -0.409 8.656 -5.265 1.00 0.00 C ATOM 0 H MET A 83 5.223 8.658 -5.103 1.00 0.00 H new ATOM 0 HA MET A 83 3.580 7.584 -7.298 1.00 0.00 H new ATOM 0 HB2 MET A 83 3.171 9.899 -5.367 1.00 0.00 H new ATOM 0 HB3 MET A 83 1.991 9.321 -6.528 1.00 0.00 H new ATOM 0 HG2 MET A 83 2.036 7.073 -5.354 1.00 0.00 H new ATOM 0 HG3 MET A 83 3.078 7.782 -4.136 1.00 0.00 H new ATOM 0 HE1 MET A 83 -1.399 8.722 -4.813 1.00 0.00 H new ATOM 0 HE2 MET A 83 -0.246 9.519 -5.910 1.00 0.00 H new ATOM 0 HE3 MET A 83 -0.341 7.743 -5.856 1.00 0.00 H new ATOM 1273 N ASP A 84 3.557 9.767 -8.832 1.00 0.00 N ATOM 1274 CA ASP A 84 3.880 10.689 -9.969 1.00 0.00 C ATOM 1275 C ASP A 84 4.189 12.131 -9.519 1.00 0.00 C ATOM 1276 O ASP A 84 4.825 12.900 -10.255 1.00 0.00 O ATOM 1277 CB ASP A 84 2.721 10.713 -11.000 1.00 0.00 C ATOM 1278 CG ASP A 84 2.571 9.388 -11.751 1.00 0.00 C ATOM 1279 OD1 ASP A 84 1.828 8.497 -11.277 1.00 0.00 O ATOM 1280 OD2 ASP A 84 3.206 9.228 -12.820 1.00 0.00 O ATOM 0 H ASP A 84 2.630 9.347 -8.903 1.00 0.00 H new ATOM 0 HA ASP A 84 4.785 10.290 -10.427 1.00 0.00 H new ATOM 0 HB2 ASP A 84 1.788 10.942 -10.486 1.00 0.00 H new ATOM 0 HB3 ASP A 84 2.895 11.515 -11.717 1.00 0.00 H new ATOM 1285 N ASP A 85 3.742 12.477 -8.307 1.00 0.00 N ATOM 1286 CA ASP A 85 3.948 13.801 -7.695 1.00 0.00 C ATOM 1287 C ASP A 85 5.422 13.997 -7.222 1.00 0.00 C ATOM 1288 O ASP A 85 5.817 15.104 -6.850 1.00 0.00 O ATOM 1289 CB ASP A 85 2.938 13.953 -6.523 1.00 0.00 C ATOM 1290 CG ASP A 85 2.899 15.349 -5.888 1.00 0.00 C ATOM 1291 OD1 ASP A 85 2.763 16.354 -6.633 1.00 0.00 O ATOM 1292 OD2 ASP A 85 3.012 15.456 -4.657 1.00 0.00 O ATOM 0 H ASP A 85 3.218 11.836 -7.711 1.00 0.00 H new ATOM 0 HA ASP A 85 3.769 14.581 -8.435 1.00 0.00 H new ATOM 0 HB2 ASP A 85 1.941 13.706 -6.886 1.00 0.00 H new ATOM 0 HB3 ASP A 85 3.185 13.224 -5.751 1.00 0.00 H new ATOM 1297 N GLY A 86 6.232 12.918 -7.271 1.00 0.00 N ATOM 1298 CA GLY A 86 7.654 12.970 -6.910 1.00 0.00 C ATOM 1299 C GLY A 86 7.925 12.773 -5.422 1.00 0.00 C ATOM 1300 O GLY A 86 9.039 13.043 -4.953 1.00 0.00 O ATOM 0 H GLY A 86 5.915 11.993 -7.561 1.00 0.00 H new ATOM 0 HA2 GLY A 86 8.189 12.203 -7.471 1.00 0.00 H new ATOM 0 HA3 GLY A 86 8.061 13.933 -7.218 1.00 0.00 H new ATOM 1304 N ARG A 87 6.911 12.315 -4.661 1.00 0.00 N ATOM 1305 CA ARG A 87 7.045 12.070 -3.207 1.00 0.00 C ATOM 1306 C ARG A 87 7.019 10.560 -2.914 1.00 0.00 C ATOM 1307 O ARG A 87 6.320 9.802 -3.606 1.00 0.00 O ATOM 1308 CB ARG A 87 5.921 12.814 -2.437 1.00 0.00 C ATOM 1309 CG ARG A 87 5.844 14.330 -2.758 1.00 0.00 C ATOM 1310 CD ARG A 87 4.919 15.120 -1.813 1.00 0.00 C ATOM 1311 NE ARG A 87 4.546 16.436 -2.382 1.00 0.00 N ATOM 1312 CZ ARG A 87 4.712 17.643 -1.810 1.00 0.00 C ATOM 1313 NH1 ARG A 87 5.267 17.761 -0.615 1.00 0.00 N ATOM 1314 NH2 ARG A 87 4.290 18.721 -2.453 1.00 0.00 N ATOM 0 H ARG A 87 5.984 12.106 -5.030 1.00 0.00 H new ATOM 0 HA ARG A 87 8.005 12.459 -2.866 1.00 0.00 H new ATOM 0 HB2 ARG A 87 4.963 12.352 -2.675 1.00 0.00 H new ATOM 0 HB3 ARG A 87 6.080 12.686 -1.366 1.00 0.00 H new ATOM 0 HG2 ARG A 87 6.847 14.754 -2.707 1.00 0.00 H new ATOM 0 HG3 ARG A 87 5.495 14.458 -3.783 1.00 0.00 H new ATOM 0 HD2 ARG A 87 4.017 14.540 -1.618 1.00 0.00 H new ATOM 0 HD3 ARG A 87 5.418 15.266 -0.855 1.00 0.00 H new ATOM 0 HE ARG A 87 4.117 16.426 -3.307 1.00 0.00 H new ATOM 0 HH11 ARG A 87 5.577 16.929 -0.112 1.00 0.00 H new ATOM 0 HH12 ARG A 87 5.385 18.684 -0.196 1.00 0.00 H new ATOM 0 HH21 ARG A 87 3.847 18.629 -3.367 1.00 0.00 H new ATOM 0 HH22 ARG A 87 4.408 19.644 -2.034 1.00 0.00 H new ATOM 1328 N GLU A 88 7.770 10.148 -1.872 1.00 0.00 N ATOM 1329 CA GLU A 88 7.985 8.723 -1.540 1.00 0.00 C ATOM 1330 C GLU A 88 6.971 8.256 -0.487 1.00 0.00 C ATOM 1331 O GLU A 88 6.614 9.004 0.416 1.00 0.00 O ATOM 1332 CB GLU A 88 9.420 8.486 -0.994 1.00 0.00 C ATOM 1333 CG GLU A 88 10.554 8.954 -1.921 1.00 0.00 C ATOM 1334 CD GLU A 88 11.950 8.630 -1.373 1.00 0.00 C ATOM 1335 OE1 GLU A 88 12.369 7.453 -1.467 1.00 0.00 O ATOM 1336 OE2 GLU A 88 12.634 9.541 -0.841 1.00 0.00 O ATOM 0 H GLU A 88 8.244 10.791 -1.238 1.00 0.00 H new ATOM 0 HA GLU A 88 7.852 8.151 -2.458 1.00 0.00 H new ATOM 0 HB2 GLU A 88 9.518 8.999 -0.037 1.00 0.00 H new ATOM 0 HB3 GLU A 88 9.547 7.421 -0.799 1.00 0.00 H new ATOM 0 HG2 GLU A 88 10.435 8.484 -2.897 1.00 0.00 H new ATOM 0 HG3 GLU A 88 10.470 10.030 -2.073 1.00 0.00 H new ATOM 1343 N VAL A 89 6.535 7.002 -0.619 1.00 0.00 N ATOM 1344 CA VAL A 89 5.696 6.298 0.356 1.00 0.00 C ATOM 1345 C VAL A 89 6.438 5.008 0.718 1.00 0.00 C ATOM 1346 O VAL A 89 6.749 4.199 -0.167 1.00 0.00 O ATOM 1347 CB VAL A 89 4.269 5.959 -0.216 1.00 0.00 C ATOM 1348 CG1 VAL A 89 3.374 5.297 0.869 1.00 0.00 C ATOM 1349 CG2 VAL A 89 3.598 7.223 -0.818 1.00 0.00 C ATOM 0 H VAL A 89 6.762 6.430 -1.432 1.00 0.00 H new ATOM 0 HA VAL A 89 5.531 6.933 1.227 1.00 0.00 H new ATOM 0 HB VAL A 89 4.391 5.236 -1.023 1.00 0.00 H new ATOM 0 HG11 VAL A 89 2.394 5.074 0.446 1.00 0.00 H new ATOM 0 HG12 VAL A 89 3.840 4.373 1.211 1.00 0.00 H new ATOM 0 HG13 VAL A 89 3.259 5.979 1.711 1.00 0.00 H new ATOM 0 HG21 VAL A 89 2.613 6.962 -1.206 1.00 0.00 H new ATOM 0 HG22 VAL A 89 3.493 7.983 -0.044 1.00 0.00 H new ATOM 0 HG23 VAL A 89 4.216 7.612 -1.627 1.00 0.00 H new ATOM 1359 N ASP A 90 6.724 4.829 2.009 1.00 0.00 N ATOM 1360 CA ASP A 90 7.555 3.727 2.508 1.00 0.00 C ATOM 1361 C ASP A 90 6.701 2.847 3.402 1.00 0.00 C ATOM 1362 O ASP A 90 6.156 3.333 4.384 1.00 0.00 O ATOM 1363 CB ASP A 90 8.757 4.267 3.311 1.00 0.00 C ATOM 1364 CG ASP A 90 9.761 3.166 3.697 1.00 0.00 C ATOM 1365 OD1 ASP A 90 10.650 2.853 2.879 1.00 0.00 O ATOM 1366 OD2 ASP A 90 9.663 2.600 4.811 1.00 0.00 O ATOM 0 H ASP A 90 6.384 5.448 2.745 1.00 0.00 H new ATOM 0 HA ASP A 90 7.939 3.155 1.663 1.00 0.00 H new ATOM 0 HB2 ASP A 90 9.269 5.028 2.722 1.00 0.00 H new ATOM 0 HB3 ASP A 90 8.394 4.754 4.216 1.00 0.00 H new ATOM 1371 N VAL A 91 6.571 1.575 3.050 1.00 0.00 N ATOM 1372 CA VAL A 91 5.801 0.597 3.823 1.00 0.00 C ATOM 1373 C VAL A 91 6.762 -0.465 4.382 1.00 0.00 C ATOM 1374 O VAL A 91 7.228 -1.351 3.663 1.00 0.00 O ATOM 1375 CB VAL A 91 4.700 -0.057 2.920 1.00 0.00 C ATOM 1376 CG1 VAL A 91 3.799 -1.017 3.734 1.00 0.00 C ATOM 1377 CG2 VAL A 91 3.874 1.045 2.201 1.00 0.00 C ATOM 0 H VAL A 91 7.000 1.184 2.211 1.00 0.00 H new ATOM 0 HA VAL A 91 5.298 1.092 4.654 1.00 0.00 H new ATOM 0 HB VAL A 91 5.191 -0.661 2.157 1.00 0.00 H new ATOM 0 HG11 VAL A 91 3.046 -1.454 3.078 1.00 0.00 H new ATOM 0 HG12 VAL A 91 4.409 -1.811 4.165 1.00 0.00 H new ATOM 0 HG13 VAL A 91 3.306 -0.463 4.533 1.00 0.00 H new ATOM 0 HG21 VAL A 91 3.112 0.579 1.576 1.00 0.00 H new ATOM 0 HG22 VAL A 91 3.394 1.683 2.943 1.00 0.00 H new ATOM 0 HG23 VAL A 91 4.535 1.647 1.578 1.00 0.00 H new ATOM 1387 N GLN A 92 7.033 -0.355 5.678 1.00 0.00 N ATOM 1388 CA GLN A 92 7.990 -1.190 6.411 1.00 0.00 C ATOM 1389 C GLN A 92 7.197 -2.233 7.215 1.00 0.00 C ATOM 1390 O GLN A 92 6.250 -1.885 7.913 1.00 0.00 O ATOM 1391 CB GLN A 92 8.857 -0.260 7.321 1.00 0.00 C ATOM 1392 CG GLN A 92 10.012 -0.933 8.118 1.00 0.00 C ATOM 1393 CD GLN A 92 9.577 -1.649 9.407 1.00 0.00 C ATOM 1394 OE1 GLN A 92 8.609 -1.264 10.062 1.00 0.00 O ATOM 1395 NE2 GLN A 92 10.297 -2.692 9.783 1.00 0.00 N ATOM 0 H GLN A 92 6.580 0.340 6.271 1.00 0.00 H new ATOM 0 HA GLN A 92 8.666 -1.725 5.744 1.00 0.00 H new ATOM 0 HB2 GLN A 92 9.287 0.522 6.695 1.00 0.00 H new ATOM 0 HB3 GLN A 92 8.194 0.231 8.034 1.00 0.00 H new ATOM 0 HG2 GLN A 92 10.510 -1.654 7.469 1.00 0.00 H new ATOM 0 HG3 GLN A 92 10.749 -0.172 8.373 1.00 0.00 H new ATOM 0 HE21 GLN A 92 11.095 -2.990 9.222 1.00 0.00 H new ATOM 0 HE22 GLN A 92 10.055 -3.199 10.635 1.00 0.00 H new ATOM 1404 N PHE A 93 7.589 -3.510 7.099 1.00 0.00 N ATOM 1405 CA PHE A 93 6.906 -4.638 7.761 1.00 0.00 C ATOM 1406 C PHE A 93 7.777 -5.146 8.922 1.00 0.00 C ATOM 1407 O PHE A 93 8.780 -5.839 8.702 1.00 0.00 O ATOM 1408 CB PHE A 93 6.648 -5.781 6.742 1.00 0.00 C ATOM 1409 CG PHE A 93 5.934 -5.334 5.461 1.00 0.00 C ATOM 1410 CD1 PHE A 93 6.660 -4.848 4.369 1.00 0.00 C ATOM 1411 CD2 PHE A 93 4.546 -5.382 5.351 1.00 0.00 C ATOM 1412 CE1 PHE A 93 6.022 -4.434 3.219 1.00 0.00 C ATOM 1413 CE2 PHE A 93 3.908 -4.962 4.197 1.00 0.00 C ATOM 1414 CZ PHE A 93 4.649 -4.490 3.134 1.00 0.00 C ATOM 0 H PHE A 93 8.394 -3.794 6.540 1.00 0.00 H new ATOM 0 HA PHE A 93 5.945 -4.302 8.150 1.00 0.00 H new ATOM 0 HB2 PHE A 93 7.602 -6.235 6.473 1.00 0.00 H new ATOM 0 HB3 PHE A 93 6.052 -6.555 7.225 1.00 0.00 H new ATOM 0 HD1 PHE A 93 7.737 -4.796 4.427 1.00 0.00 H new ATOM 0 HD2 PHE A 93 3.959 -5.752 6.179 1.00 0.00 H new ATOM 0 HE1 PHE A 93 6.600 -4.065 2.384 1.00 0.00 H new ATOM 0 HE2 PHE A 93 2.831 -5.004 4.129 1.00 0.00 H new ATOM 0 HZ PHE A 93 4.151 -4.164 2.233 1.00 0.00 H new ATOM 1424 N ALA A 94 7.412 -4.755 10.142 1.00 0.00 N ATOM 1425 CA ALA A 94 8.115 -5.165 11.364 1.00 0.00 C ATOM 1426 C ALA A 94 7.466 -6.416 11.952 1.00 0.00 C ATOM 1427 O ALA A 94 6.250 -6.492 12.046 1.00 0.00 O ATOM 1428 CB ALA A 94 8.102 -4.023 12.386 1.00 0.00 C ATOM 0 H ALA A 94 6.616 -4.141 10.315 1.00 0.00 H new ATOM 0 HA ALA A 94 9.150 -5.398 11.115 1.00 0.00 H new ATOM 0 HB1 ALA A 94 8.626 -4.337 13.289 1.00 0.00 H new ATOM 0 HB2 ALA A 94 8.599 -3.150 11.963 1.00 0.00 H new ATOM 0 HB3 ALA A 94 7.072 -3.769 12.634 1.00 0.00 H new ATOM 1434 N SER A 95 8.283 -7.396 12.324 1.00 0.00 N ATOM 1435 CA SER A 95 7.825 -8.596 13.028 1.00 0.00 C ATOM 1436 C SER A 95 7.734 -8.301 14.541 1.00 0.00 C ATOM 1437 O SER A 95 8.664 -7.722 15.109 1.00 0.00 O ATOM 1438 CB SER A 95 8.799 -9.752 12.736 1.00 0.00 C ATOM 1439 OG SER A 95 8.876 -10.019 11.340 1.00 0.00 O ATOM 0 H SER A 95 9.287 -7.383 12.146 1.00 0.00 H new ATOM 0 HA SER A 95 6.833 -8.886 12.682 1.00 0.00 H new ATOM 0 HB2 SER A 95 9.789 -9.502 13.116 1.00 0.00 H new ATOM 0 HB3 SER A 95 8.472 -10.648 13.263 1.00 0.00 H new ATOM 0 HG SER A 95 9.502 -10.756 11.182 1.00 0.00 H new ATOM 1445 N GLU A 96 6.605 -8.669 15.177 1.00 0.00 N ATOM 1446 CA GLU A 96 6.361 -8.403 16.613 1.00 0.00 C ATOM 1447 C GLU A 96 5.595 -9.584 17.269 1.00 0.00 C ATOM 1448 O GLU A 96 4.980 -10.385 16.553 1.00 0.00 O ATOM 1449 CB GLU A 96 5.571 -7.069 16.797 1.00 0.00 C ATOM 1450 CG GLU A 96 4.173 -7.039 16.140 1.00 0.00 C ATOM 1451 CD GLU A 96 3.212 -6.039 16.789 1.00 0.00 C ATOM 1452 OE1 GLU A 96 2.948 -6.177 18.004 1.00 0.00 O ATOM 1453 OE2 GLU A 96 2.716 -5.114 16.114 1.00 0.00 O ATOM 0 H GLU A 96 5.838 -9.157 14.715 1.00 0.00 H new ATOM 0 HA GLU A 96 7.326 -8.304 17.110 1.00 0.00 H new ATOM 0 HB2 GLU A 96 5.458 -6.876 17.864 1.00 0.00 H new ATOM 0 HB3 GLU A 96 6.166 -6.253 16.387 1.00 0.00 H new ATOM 0 HG2 GLU A 96 4.282 -6.792 15.084 1.00 0.00 H new ATOM 0 HG3 GLU A 96 3.735 -8.036 16.191 1.00 0.00 H new ATOM 1460 N PRO A 97 5.625 -9.715 18.647 1.00 0.00 N ATOM 1461 CA PRO A 97 4.827 -10.729 19.398 1.00 0.00 C ATOM 1462 C PRO A 97 3.307 -10.693 19.087 1.00 0.00 C ATOM 1463 O PRO A 97 2.636 -11.732 19.123 1.00 0.00 O ATOM 1464 CB PRO A 97 5.091 -10.361 20.885 1.00 0.00 C ATOM 1465 CG PRO A 97 6.421 -9.681 20.886 1.00 0.00 C ATOM 1466 CD PRO A 97 6.495 -8.928 19.574 1.00 0.00 C ATOM 0 HA PRO A 97 5.124 -11.742 19.125 1.00 0.00 H new ATOM 0 HB2 PRO A 97 4.312 -9.705 21.273 1.00 0.00 H new ATOM 0 HB3 PRO A 97 5.102 -11.250 21.515 1.00 0.00 H new ATOM 0 HG2 PRO A 97 6.513 -9.002 21.733 1.00 0.00 H new ATOM 0 HG3 PRO A 97 7.231 -10.405 20.968 1.00 0.00 H new ATOM 0 HD2 PRO A 97 6.137 -7.904 19.682 1.00 0.00 H new ATOM 0 HD3 PRO A 97 7.519 -8.870 19.206 1.00 0.00 H new ATOM 1474 N GLY A 98 2.786 -9.483 18.793 1.00 0.00 N ATOM 1475 CA GLY A 98 1.362 -9.277 18.491 1.00 0.00 C ATOM 1476 C GLY A 98 0.972 -9.628 17.056 1.00 0.00 C ATOM 1477 O GLY A 98 -0.212 -9.831 16.771 1.00 0.00 O ATOM 0 H GLY A 98 3.341 -8.628 18.759 1.00 0.00 H new ATOM 0 HA2 GLY A 98 0.765 -9.879 19.176 1.00 0.00 H new ATOM 0 HA3 GLY A 98 1.109 -8.234 18.680 1.00 0.00 H new ATOM 1481 N GLY A 99 1.964 -9.672 16.150 1.00 0.00 N ATOM 1482 CA GLY A 99 1.723 -9.951 14.727 1.00 0.00 C ATOM 1483 C GLY A 99 2.770 -9.285 13.840 1.00 0.00 C ATOM 1484 O GLY A 99 3.958 -9.594 13.954 1.00 0.00 O ATOM 0 H GLY A 99 2.945 -9.517 16.382 1.00 0.00 H new ATOM 0 HA2 GLY A 99 1.735 -11.028 14.560 1.00 0.00 H new ATOM 0 HA3 GLY A 99 0.731 -9.596 14.449 1.00 0.00 H new ATOM 1488 N THR A 100 2.344 -8.339 12.980 1.00 0.00 N ATOM 1489 CA THR A 100 3.239 -7.591 12.082 1.00 0.00 C ATOM 1490 C THR A 100 2.898 -6.098 12.157 1.00 0.00 C ATOM 1491 O THR A 100 1.816 -5.679 11.727 1.00 0.00 O ATOM 1492 CB THR A 100 3.123 -8.089 10.604 1.00 0.00 C ATOM 1493 OG1 THR A 100 3.380 -9.492 10.563 1.00 0.00 O ATOM 1494 CG2 THR A 100 4.108 -7.372 9.654 1.00 0.00 C ATOM 0 H THR A 100 1.363 -8.073 12.890 1.00 0.00 H new ATOM 0 HA THR A 100 4.266 -7.758 12.407 1.00 0.00 H new ATOM 0 HB THR A 100 2.113 -7.862 10.263 1.00 0.00 H new ATOM 0 HG1 THR A 100 2.598 -9.978 10.899 1.00 0.00 H new ATOM 0 HG21 THR A 100 3.983 -7.757 8.642 1.00 0.00 H new ATOM 0 HG22 THR A 100 3.906 -6.301 9.662 1.00 0.00 H new ATOM 0 HG23 THR A 100 5.130 -7.551 9.987 1.00 0.00 H new ATOM 1502 N TRP A 101 3.825 -5.309 12.716 1.00 0.00 N ATOM 1503 CA TRP A 101 3.678 -3.859 12.839 1.00 0.00 C ATOM 1504 C TRP A 101 4.092 -3.191 11.517 1.00 0.00 C ATOM 1505 O TRP A 101 5.278 -2.964 11.266 1.00 0.00 O ATOM 1506 CB TRP A 101 4.543 -3.340 14.021 1.00 0.00 C ATOM 1507 CG TRP A 101 4.208 -1.942 14.482 1.00 0.00 C ATOM 1508 CD1 TRP A 101 3.014 -1.297 14.339 1.00 0.00 C ATOM 1509 CD2 TRP A 101 5.065 -1.035 15.198 1.00 0.00 C ATOM 1510 NE1 TRP A 101 3.076 -0.063 14.915 1.00 0.00 N ATOM 1511 CE2 TRP A 101 4.322 0.131 15.436 1.00 0.00 C ATOM 1512 CE3 TRP A 101 6.388 -1.095 15.652 1.00 0.00 C ATOM 1513 CZ2 TRP A 101 4.846 1.229 16.111 1.00 0.00 C ATOM 1514 CZ3 TRP A 101 6.913 -0.003 16.322 1.00 0.00 C ATOM 1515 CH2 TRP A 101 6.140 1.147 16.544 1.00 0.00 C ATOM 0 H TRP A 101 4.702 -5.664 13.097 1.00 0.00 H new ATOM 0 HA TRP A 101 2.637 -3.608 13.045 1.00 0.00 H new ATOM 0 HB2 TRP A 101 4.430 -4.023 14.863 1.00 0.00 H new ATOM 0 HB3 TRP A 101 5.592 -3.369 13.726 1.00 0.00 H new ATOM 0 HD1 TRP A 101 2.146 -1.705 13.842 1.00 0.00 H new ATOM 0 HE1 TRP A 101 2.310 0.610 14.951 1.00 0.00 H new ATOM 0 HE3 TRP A 101 6.988 -1.977 15.483 1.00 0.00 H new ATOM 0 HZ2 TRP A 101 4.252 2.114 16.286 1.00 0.00 H new ATOM 0 HZ3 TRP A 101 7.932 -0.037 16.679 1.00 0.00 H new ATOM 0 HH2 TRP A 101 6.576 1.985 17.068 1.00 0.00 H new ATOM 1526 N VAL A 102 3.099 -2.907 10.671 1.00 0.00 N ATOM 1527 CA VAL A 102 3.323 -2.274 9.369 1.00 0.00 C ATOM 1528 C VAL A 102 3.315 -0.750 9.553 1.00 0.00 C ATOM 1529 O VAL A 102 2.277 -0.156 9.820 1.00 0.00 O ATOM 1530 CB VAL A 102 2.231 -2.704 8.316 1.00 0.00 C ATOM 1531 CG1 VAL A 102 2.478 -2.036 6.941 1.00 0.00 C ATOM 1532 CG2 VAL A 102 2.165 -4.250 8.188 1.00 0.00 C ATOM 0 H VAL A 102 2.119 -3.109 10.869 1.00 0.00 H new ATOM 0 HA VAL A 102 4.288 -2.601 8.982 1.00 0.00 H new ATOM 0 HB VAL A 102 1.264 -2.356 8.678 1.00 0.00 H new ATOM 0 HG11 VAL A 102 1.708 -2.354 6.238 1.00 0.00 H new ATOM 0 HG12 VAL A 102 2.444 -0.952 7.052 1.00 0.00 H new ATOM 0 HG13 VAL A 102 3.457 -2.331 6.564 1.00 0.00 H new ATOM 0 HG21 VAL A 102 1.405 -4.522 7.456 1.00 0.00 H new ATOM 0 HG22 VAL A 102 3.134 -4.630 7.863 1.00 0.00 H new ATOM 0 HG23 VAL A 102 1.910 -4.685 9.155 1.00 0.00 H new ATOM 1542 N GLN A 103 4.496 -0.150 9.393 1.00 0.00 N ATOM 1543 CA GLN A 103 4.709 1.290 9.522 1.00 0.00 C ATOM 1544 C GLN A 103 4.789 1.884 8.116 1.00 0.00 C ATOM 1545 O GLN A 103 5.692 1.554 7.361 1.00 0.00 O ATOM 1546 CB GLN A 103 6.030 1.571 10.291 1.00 0.00 C ATOM 1547 CG GLN A 103 6.059 1.060 11.750 1.00 0.00 C ATOM 1548 CD GLN A 103 7.341 1.437 12.518 1.00 0.00 C ATOM 1549 OE1 GLN A 103 7.787 0.712 13.397 1.00 0.00 O ATOM 1550 NE2 GLN A 103 7.927 2.587 12.218 1.00 0.00 N ATOM 0 H GLN A 103 5.348 -0.663 9.166 1.00 0.00 H new ATOM 0 HA GLN A 103 3.888 1.741 10.079 1.00 0.00 H new ATOM 0 HB2 GLN A 103 6.855 1.113 9.745 1.00 0.00 H new ATOM 0 HB3 GLN A 103 6.209 2.646 10.295 1.00 0.00 H new ATOM 0 HG2 GLN A 103 5.197 1.461 12.282 1.00 0.00 H new ATOM 0 HG3 GLN A 103 5.955 -0.025 11.747 1.00 0.00 H new ATOM 0 HE21 GLN A 103 7.542 3.179 11.482 1.00 0.00 H new ATOM 0 HE22 GLN A 103 8.763 2.880 12.723 1.00 0.00 H new ATOM 1559 N GLU A 104 3.815 2.724 7.765 1.00 0.00 N ATOM 1560 CA GLU A 104 3.751 3.389 6.461 1.00 0.00 C ATOM 1561 C GLU A 104 4.082 4.890 6.636 1.00 0.00 C ATOM 1562 O GLU A 104 3.278 5.667 7.136 1.00 0.00 O ATOM 1563 CB GLU A 104 2.351 3.155 5.843 1.00 0.00 C ATOM 1564 CG GLU A 104 2.142 3.746 4.437 1.00 0.00 C ATOM 1565 CD GLU A 104 0.803 3.315 3.801 1.00 0.00 C ATOM 1566 OE1 GLU A 104 -0.255 3.836 4.217 1.00 0.00 O ATOM 1567 OE2 GLU A 104 0.804 2.427 2.916 1.00 0.00 O ATOM 0 H GLU A 104 3.040 2.965 8.383 1.00 0.00 H new ATOM 0 HA GLU A 104 4.487 2.973 5.773 1.00 0.00 H new ATOM 0 HB2 GLU A 104 2.167 2.082 5.798 1.00 0.00 H new ATOM 0 HB3 GLU A 104 1.602 3.579 6.512 1.00 0.00 H new ATOM 0 HG2 GLU A 104 2.178 4.834 4.496 1.00 0.00 H new ATOM 0 HG3 GLU A 104 2.963 3.435 3.791 1.00 0.00 H new ATOM 1574 N THR A 105 5.308 5.269 6.264 1.00 0.00 N ATOM 1575 CA THR A 105 5.790 6.651 6.365 1.00 0.00 C ATOM 1576 C THR A 105 5.869 7.252 4.961 1.00 0.00 C ATOM 1577 O THR A 105 6.625 6.764 4.119 1.00 0.00 O ATOM 1578 CB THR A 105 7.183 6.705 7.061 1.00 0.00 C ATOM 1579 OG1 THR A 105 7.119 5.997 8.305 1.00 0.00 O ATOM 1580 CG2 THR A 105 7.647 8.153 7.318 1.00 0.00 C ATOM 0 H THR A 105 5.998 4.623 5.882 1.00 0.00 H new ATOM 0 HA THR A 105 5.095 7.230 6.973 1.00 0.00 H new ATOM 0 HB THR A 105 7.907 6.239 6.393 1.00 0.00 H new ATOM 0 HG1 THR A 105 7.994 6.028 8.744 1.00 0.00 H new ATOM 0 HG21 THR A 105 8.622 8.142 7.804 1.00 0.00 H new ATOM 0 HG22 THR A 105 7.721 8.685 6.370 1.00 0.00 H new ATOM 0 HG23 THR A 105 6.926 8.657 7.962 1.00 0.00 H new ATOM 1588 N PHE A 106 5.103 8.320 4.713 1.00 0.00 N ATOM 1589 CA PHE A 106 4.971 8.914 3.377 1.00 0.00 C ATOM 1590 C PHE A 106 5.183 10.427 3.444 1.00 0.00 C ATOM 1591 O PHE A 106 4.810 11.067 4.426 1.00 0.00 O ATOM 1592 CB PHE A 106 3.594 8.559 2.745 1.00 0.00 C ATOM 1593 CG PHE A 106 2.346 9.000 3.532 1.00 0.00 C ATOM 1594 CD1 PHE A 106 1.798 8.184 4.527 1.00 0.00 C ATOM 1595 CD2 PHE A 106 1.716 10.219 3.264 1.00 0.00 C ATOM 1596 CE1 PHE A 106 0.670 8.575 5.221 1.00 0.00 C ATOM 1597 CE2 PHE A 106 0.586 10.603 3.959 1.00 0.00 C ATOM 1598 CZ PHE A 106 0.065 9.782 4.938 1.00 0.00 C ATOM 0 H PHE A 106 4.558 8.797 5.431 1.00 0.00 H new ATOM 0 HA PHE A 106 5.743 8.494 2.732 1.00 0.00 H new ATOM 0 HB2 PHE A 106 3.548 9.007 1.752 1.00 0.00 H new ATOM 0 HB3 PHE A 106 3.548 7.478 2.610 1.00 0.00 H new ATOM 0 HD1 PHE A 106 2.263 7.236 4.755 1.00 0.00 H new ATOM 0 HD2 PHE A 106 2.119 10.870 2.502 1.00 0.00 H new ATOM 0 HE1 PHE A 106 0.260 7.934 5.988 1.00 0.00 H new ATOM 0 HE2 PHE A 106 0.110 11.546 3.736 1.00 0.00 H new ATOM 0 HZ PHE A 106 -0.817 10.085 5.483 1.00 0.00 H new ATOM 1608 N ASP A 107 5.789 10.979 2.383 1.00 0.00 N ATOM 1609 CA ASP A 107 5.984 12.421 2.223 1.00 0.00 C ATOM 1610 C ASP A 107 4.638 13.036 1.823 1.00 0.00 C ATOM 1611 O ASP A 107 4.068 12.658 0.793 1.00 0.00 O ATOM 1612 CB ASP A 107 7.071 12.718 1.151 1.00 0.00 C ATOM 1613 CG ASP A 107 8.447 12.143 1.521 1.00 0.00 C ATOM 1614 OD1 ASP A 107 9.200 12.799 2.265 1.00 0.00 O ATOM 1615 OD2 ASP A 107 8.785 11.028 1.075 1.00 0.00 O ATOM 0 H ASP A 107 6.159 10.430 1.607 1.00 0.00 H new ATOM 0 HA ASP A 107 6.332 12.858 3.159 1.00 0.00 H new ATOM 0 HB2 ASP A 107 6.754 12.302 0.194 1.00 0.00 H new ATOM 0 HB3 ASP A 107 7.157 13.796 1.017 1.00 0.00 H new ATOM 1620 N ALA A 108 4.145 13.963 2.656 1.00 0.00 N ATOM 1621 CA ALA A 108 2.809 14.563 2.515 1.00 0.00 C ATOM 1622 C ALA A 108 2.755 15.500 1.303 1.00 0.00 C ATOM 1623 O ALA A 108 3.659 16.318 1.116 1.00 0.00 O ATOM 1624 CB ALA A 108 2.445 15.325 3.801 1.00 0.00 C ATOM 0 H ALA A 108 4.667 14.322 3.455 1.00 0.00 H new ATOM 0 HA ALA A 108 2.083 13.766 2.354 1.00 0.00 H new ATOM 0 HB1 ALA A 108 1.455 15.768 3.693 1.00 0.00 H new ATOM 0 HB2 ALA A 108 2.444 14.635 4.645 1.00 0.00 H new ATOM 0 HB3 ALA A 108 3.178 16.112 3.977 1.00 0.00 H new ATOM 1630 N GLU A 109 1.681 15.380 0.502 1.00 0.00 N ATOM 1631 CA GLU A 109 1.484 16.188 -0.711 1.00 0.00 C ATOM 1632 C GLU A 109 0.816 17.527 -0.344 1.00 0.00 C ATOM 1633 O GLU A 109 0.090 17.626 0.650 1.00 0.00 O ATOM 1634 CB GLU A 109 0.647 15.412 -1.761 1.00 0.00 C ATOM 1635 CG GLU A 109 -0.819 15.142 -1.365 1.00 0.00 C ATOM 1636 CD GLU A 109 -1.615 14.441 -2.462 1.00 0.00 C ATOM 1637 OE1 GLU A 109 -1.925 15.088 -3.483 1.00 0.00 O ATOM 1638 OE2 GLU A 109 -1.952 13.245 -2.320 1.00 0.00 O ATOM 0 H GLU A 109 0.925 14.718 0.679 1.00 0.00 H new ATOM 0 HA GLU A 109 2.456 16.397 -1.158 1.00 0.00 H new ATOM 0 HB2 GLU A 109 0.656 15.973 -2.696 1.00 0.00 H new ATOM 0 HB3 GLU A 109 1.135 14.457 -1.957 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -0.839 14.531 -0.463 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -1.303 16.087 -1.120 1.00 0.00 H new ATOM 1688 N THR A 113 -5.060 17.864 1.865 1.00 0.00 N ATOM 1689 CA THR A 113 -4.779 18.147 3.285 1.00 0.00 C ATOM 1690 C THR A 113 -4.015 16.953 3.907 1.00 0.00 C ATOM 1691 O THR A 113 -4.496 15.826 3.780 1.00 0.00 O ATOM 1692 CB THR A 113 -6.112 18.375 4.077 1.00 0.00 C ATOM 1693 OG1 THR A 113 -6.907 19.367 3.415 1.00 0.00 O ATOM 1694 CG2 THR A 113 -5.878 18.801 5.539 1.00 0.00 C ATOM 0 HA THR A 113 -4.174 19.051 3.346 1.00 0.00 H new ATOM 0 HB THR A 113 -6.633 17.418 4.098 1.00 0.00 H new ATOM 0 HG1 THR A 113 -6.670 19.395 2.465 1.00 0.00 H new ATOM 0 HG21 THR A 113 -6.838 18.943 6.035 1.00 0.00 H new ATOM 0 HG22 THR A 113 -5.313 18.026 6.058 1.00 0.00 H new ATOM 0 HG23 THR A 113 -5.317 19.735 5.560 1.00 0.00 H new ATOM 1702 N PRO A 114 -2.808 17.179 4.532 1.00 0.00 N ATOM 1703 CA PRO A 114 -2.006 16.120 5.210 1.00 0.00 C ATOM 1704 C PRO A 114 -2.822 15.199 6.145 1.00 0.00 C ATOM 1705 O PRO A 114 -2.608 13.989 6.152 1.00 0.00 O ATOM 1706 CB PRO A 114 -0.951 16.937 5.990 1.00 0.00 C ATOM 1707 CG PRO A 114 -0.729 18.139 5.137 1.00 0.00 C ATOM 1708 CD PRO A 114 -2.091 18.490 4.576 1.00 0.00 C ATOM 0 HA PRO A 114 -1.586 15.416 4.492 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -1.311 17.211 6.982 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -0.030 16.371 6.130 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -0.319 18.964 5.720 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -0.017 17.928 4.339 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -2.611 19.209 5.209 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -2.012 18.936 3.585 1.00 0.00 H new ATOM 1716 N ALA A 115 -3.737 15.787 6.943 1.00 0.00 N ATOM 1717 CA ALA A 115 -4.652 15.018 7.827 1.00 0.00 C ATOM 1718 C ALA A 115 -5.604 14.095 7.023 1.00 0.00 C ATOM 1719 O ALA A 115 -5.868 12.960 7.444 1.00 0.00 O ATOM 1720 CB ALA A 115 -5.441 15.975 8.739 1.00 0.00 C ATOM 0 H ALA A 115 -3.866 16.797 6.997 1.00 0.00 H new ATOM 0 HA ALA A 115 -4.040 14.367 8.451 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -6.107 15.399 9.381 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -4.746 16.546 9.355 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -6.029 16.659 8.127 1.00 0.00 H new ATOM 1726 N GLN A 116 -6.111 14.595 5.872 1.00 0.00 N ATOM 1727 CA GLN A 116 -6.935 13.779 4.935 1.00 0.00 C ATOM 1728 C GLN A 116 -6.122 12.613 4.340 1.00 0.00 C ATOM 1729 O GLN A 116 -6.665 11.527 4.130 1.00 0.00 O ATOM 1730 CB GLN A 116 -7.536 14.638 3.780 1.00 0.00 C ATOM 1731 CG GLN A 116 -8.739 15.515 4.173 1.00 0.00 C ATOM 1732 CD GLN A 116 -9.478 16.088 2.954 1.00 0.00 C ATOM 1733 OE1 GLN A 116 -10.389 15.457 2.417 1.00 0.00 O ATOM 1734 NE2 GLN A 116 -9.096 17.274 2.509 1.00 0.00 N ATOM 0 H GLN A 116 -5.967 15.557 5.566 1.00 0.00 H new ATOM 0 HA GLN A 116 -7.758 13.375 5.525 1.00 0.00 H new ATOM 0 HB2 GLN A 116 -6.752 15.282 3.382 1.00 0.00 H new ATOM 0 HB3 GLN A 116 -7.841 13.971 2.974 1.00 0.00 H new ATOM 0 HG2 GLN A 116 -9.434 14.925 4.770 1.00 0.00 H new ATOM 0 HG3 GLN A 116 -8.395 16.335 4.803 1.00 0.00 H new ATOM 0 HE21 GLN A 116 -8.338 17.773 2.974 1.00 0.00 H new ATOM 0 HE22 GLN A 116 -9.559 17.689 1.701 1.00 0.00 H new ATOM 1743 N GLN A 117 -4.824 12.866 4.070 1.00 0.00 N ATOM 1744 CA GLN A 117 -3.899 11.848 3.522 1.00 0.00 C ATOM 1745 C GLN A 117 -3.666 10.759 4.565 1.00 0.00 C ATOM 1746 O GLN A 117 -3.664 9.581 4.245 1.00 0.00 O ATOM 1747 CB GLN A 117 -2.535 12.463 3.158 1.00 0.00 C ATOM 1748 CG GLN A 117 -2.587 13.682 2.237 1.00 0.00 C ATOM 1749 CD GLN A 117 -1.210 14.306 2.062 1.00 0.00 C ATOM 1750 OE1 GLN A 117 -0.203 13.609 2.049 1.00 0.00 O ATOM 1751 NE2 GLN A 117 -1.147 15.618 1.978 1.00 0.00 N ATOM 0 H GLN A 117 -4.389 13.775 4.224 1.00 0.00 H new ATOM 0 HA GLN A 117 -4.355 11.437 2.621 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -2.027 12.747 4.079 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -1.925 11.695 2.681 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -2.981 13.388 1.264 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -3.274 14.422 2.649 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -2.004 16.172 1.991 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -0.242 16.081 1.899 1.00 0.00 H new ATOM 1760 N GLN A 118 -3.449 11.200 5.816 1.00 0.00 N ATOM 1761 CA GLN A 118 -3.223 10.327 6.977 1.00 0.00 C ATOM 1762 C GLN A 118 -4.399 9.347 7.107 1.00 0.00 C ATOM 1763 O GLN A 118 -4.193 8.143 7.180 1.00 0.00 O ATOM 1764 CB GLN A 118 -3.037 11.216 8.258 1.00 0.00 C ATOM 1765 CG GLN A 118 -2.458 10.516 9.519 1.00 0.00 C ATOM 1766 CD GLN A 118 -3.459 9.659 10.310 1.00 0.00 C ATOM 1767 OE1 GLN A 118 -4.130 10.154 11.207 1.00 0.00 O ATOM 1768 NE2 GLN A 118 -3.562 8.375 9.988 1.00 0.00 N ATOM 0 H GLN A 118 -3.426 12.192 6.051 1.00 0.00 H new ATOM 0 HA GLN A 118 -2.316 9.736 6.852 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -2.383 12.049 8.001 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -4.006 11.641 8.520 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -1.625 9.883 9.213 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -2.052 11.278 10.184 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -2.990 7.990 9.236 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -4.213 7.773 10.493 1.00 0.00 H new ATOM 1777 N ALA A 119 -5.625 9.892 7.071 1.00 0.00 N ATOM 1778 CA ALA A 119 -6.872 9.106 7.163 1.00 0.00 C ATOM 1779 C ALA A 119 -7.077 8.210 5.913 1.00 0.00 C ATOM 1780 O ALA A 119 -7.639 7.116 6.013 1.00 0.00 O ATOM 1781 CB ALA A 119 -8.064 10.061 7.365 1.00 0.00 C ATOM 0 H ALA A 119 -5.783 10.895 6.977 1.00 0.00 H new ATOM 0 HA ALA A 119 -6.800 8.437 8.021 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -8.986 9.483 7.433 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -7.923 10.629 8.284 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -8.128 10.747 6.520 1.00 0.00 H new ATOM 1787 N GLY A 120 -6.598 8.696 4.750 1.00 0.00 N ATOM 1788 CA GLY A 120 -6.754 8.002 3.463 1.00 0.00 C ATOM 1789 C GLY A 120 -5.856 6.784 3.324 1.00 0.00 C ATOM 1790 O GLY A 120 -6.347 5.665 3.157 1.00 0.00 O ATOM 0 H GLY A 120 -6.093 9.580 4.680 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -7.793 7.694 3.348 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -6.537 8.699 2.654 1.00 0.00 H new ATOM 1794 N TRP A 121 -4.536 7.018 3.390 1.00 0.00 N ATOM 1795 CA TRP A 121 -3.510 5.955 3.350 1.00 0.00 C ATOM 1796 C TRP A 121 -3.728 4.916 4.454 1.00 0.00 C ATOM 1797 O TRP A 121 -3.684 3.717 4.184 1.00 0.00 O ATOM 1798 CB TRP A 121 -2.090 6.559 3.464 1.00 0.00 C ATOM 1799 CG TRP A 121 -1.638 7.295 2.227 1.00 0.00 C ATOM 1800 CD1 TRP A 121 -1.690 8.638 1.993 1.00 0.00 C ATOM 1801 CD2 TRP A 121 -1.067 6.710 1.050 1.00 0.00 C ATOM 1802 NE1 TRP A 121 -1.187 8.919 0.757 1.00 0.00 N ATOM 1803 CE2 TRP A 121 -0.803 7.757 0.156 1.00 0.00 C ATOM 1804 CE3 TRP A 121 -0.755 5.399 0.668 1.00 0.00 C ATOM 1805 CZ2 TRP A 121 -0.246 7.542 -1.097 1.00 0.00 C ATOM 1806 CZ3 TRP A 121 -0.200 5.183 -0.579 1.00 0.00 C ATOM 1807 CH2 TRP A 121 0.050 6.253 -1.451 1.00 0.00 C ATOM 0 H TRP A 121 -4.144 7.956 3.473 1.00 0.00 H new ATOM 0 HA TRP A 121 -3.605 5.450 2.389 1.00 0.00 H new ATOM 0 HB2 TRP A 121 -2.064 7.243 4.312 1.00 0.00 H new ATOM 0 HB3 TRP A 121 -1.381 5.759 3.678 1.00 0.00 H new ATOM 0 HD1 TRP A 121 -2.074 9.372 2.686 1.00 0.00 H new ATOM 0 HE1 TRP A 121 -1.110 9.850 0.347 1.00 0.00 H new ATOM 0 HE3 TRP A 121 -0.945 4.572 1.336 1.00 0.00 H new ATOM 0 HZ2 TRP A 121 -0.053 8.364 -1.770 1.00 0.00 H new ATOM 0 HZ3 TRP A 121 0.045 4.177 -0.886 1.00 0.00 H new ATOM 0 HH2 TRP A 121 0.484 6.056 -2.420 1.00 0.00 H new ATOM 1818 N GLN A 122 -4.002 5.387 5.689 1.00 0.00 N ATOM 1819 CA GLN A 122 -4.277 4.492 6.837 1.00 0.00 C ATOM 1820 C GLN A 122 -5.624 3.775 6.637 1.00 0.00 C ATOM 1821 O GLN A 122 -5.831 2.713 7.193 1.00 0.00 O ATOM 1822 CB GLN A 122 -4.258 5.265 8.205 1.00 0.00 C ATOM 1823 CG GLN A 122 -3.541 4.557 9.384 1.00 0.00 C ATOM 1824 CD GLN A 122 -4.050 3.140 9.670 1.00 0.00 C ATOM 1825 OE1 GLN A 122 -4.994 2.952 10.433 1.00 0.00 O ATOM 1826 NE2 GLN A 122 -3.425 2.139 9.061 1.00 0.00 N ATOM 0 H GLN A 122 -4.039 6.380 5.918 1.00 0.00 H new ATOM 0 HA GLN A 122 -3.479 3.750 6.877 1.00 0.00 H new ATOM 0 HB2 GLN A 122 -3.781 6.232 8.045 1.00 0.00 H new ATOM 0 HB3 GLN A 122 -5.288 5.463 8.500 1.00 0.00 H new ATOM 0 HG2 GLN A 122 -2.473 4.511 9.170 1.00 0.00 H new ATOM 0 HG3 GLN A 122 -3.660 5.162 10.283 1.00 0.00 H new ATOM 0 HE21 GLN A 122 -2.644 2.332 8.433 1.00 0.00 H new ATOM 0 HE22 GLN A 122 -3.726 1.177 9.221 1.00 0.00 H new ATOM 1835 N GLY A 123 -6.539 4.399 5.869 1.00 0.00 N ATOM 1836 CA GLY A 123 -7.793 3.757 5.465 1.00 0.00 C ATOM 1837 C GLY A 123 -7.543 2.545 4.570 1.00 0.00 C ATOM 1838 O GLY A 123 -8.063 1.464 4.829 1.00 0.00 O ATOM 0 H GLY A 123 -6.427 5.350 5.518 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -8.346 3.447 6.352 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -8.417 4.477 4.936 1.00 0.00 H new ATOM 1842 N ILE A 124 -6.687 2.734 3.549 1.00 0.00 N ATOM 1843 CA ILE A 124 -6.312 1.685 2.567 1.00 0.00 C ATOM 1844 C ILE A 124 -5.484 0.571 3.257 1.00 0.00 C ATOM 1845 O ILE A 124 -5.639 -0.622 2.964 1.00 0.00 O ATOM 1846 CB ILE A 124 -5.495 2.324 1.374 1.00 0.00 C ATOM 1847 CG1 ILE A 124 -6.336 3.456 0.682 1.00 0.00 C ATOM 1848 CG2 ILE A 124 -5.054 1.253 0.337 1.00 0.00 C ATOM 1849 CD1 ILE A 124 -5.596 4.253 -0.382 1.00 0.00 C ATOM 0 H ILE A 124 -6.228 3.628 3.376 1.00 0.00 H new ATOM 0 HA ILE A 124 -7.222 1.238 2.166 1.00 0.00 H new ATOM 0 HB ILE A 124 -4.588 2.763 1.790 1.00 0.00 H new ATOM 0 HG12 ILE A 124 -7.218 3.005 0.228 1.00 0.00 H new ATOM 0 HG13 ILE A 124 -6.689 4.145 1.449 1.00 0.00 H new ATOM 0 HG21 ILE A 124 -4.495 1.733 -0.467 1.00 0.00 H new ATOM 0 HG22 ILE A 124 -4.422 0.512 0.826 1.00 0.00 H new ATOM 0 HG23 ILE A 124 -5.935 0.762 -0.076 1.00 0.00 H new ATOM 0 HD11 ILE A 124 -6.262 5.009 -0.799 1.00 0.00 H new ATOM 0 HD12 ILE A 124 -4.729 4.740 0.065 1.00 0.00 H new ATOM 0 HD13 ILE A 124 -5.266 3.582 -1.175 1.00 0.00 H new ATOM 1861 N LEU A 125 -4.647 1.000 4.213 1.00 0.00 N ATOM 1862 CA LEU A 125 -3.763 0.127 5.005 1.00 0.00 C ATOM 1863 C LEU A 125 -4.583 -0.643 6.074 1.00 0.00 C ATOM 1864 O LEU A 125 -4.200 -1.739 6.493 1.00 0.00 O ATOM 1865 CB LEU A 125 -2.642 0.988 5.659 1.00 0.00 C ATOM 1866 CG LEU A 125 -1.508 0.221 6.404 1.00 0.00 C ATOM 1867 CD1 LEU A 125 -0.742 -0.731 5.448 1.00 0.00 C ATOM 1868 CD2 LEU A 125 -0.544 1.208 7.113 1.00 0.00 C ATOM 0 H LEU A 125 -4.563 1.985 4.464 1.00 0.00 H new ATOM 0 HA LEU A 125 -3.297 -0.613 4.354 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -2.184 1.597 4.880 1.00 0.00 H new ATOM 0 HB3 LEU A 125 -3.109 1.673 6.366 1.00 0.00 H new ATOM 0 HG LEU A 125 -1.974 -0.398 7.170 1.00 0.00 H new ATOM 0 HD11 LEU A 125 0.041 -1.249 6.001 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -1.435 -1.461 5.030 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -0.294 -0.152 4.640 1.00 0.00 H new ATOM 0 HD21 LEU A 125 0.238 0.648 7.625 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -0.092 1.869 6.374 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -1.100 1.802 7.839 1.00 0.00 H new ATOM 1880 N ASP A 126 -5.692 -0.030 6.528 1.00 0.00 N ATOM 1881 CA ASP A 126 -6.691 -0.673 7.412 1.00 0.00 C ATOM 1882 C ASP A 126 -7.507 -1.724 6.641 1.00 0.00 C ATOM 1883 O ASP A 126 -7.829 -2.787 7.186 1.00 0.00 O ATOM 1884 CB ASP A 126 -7.630 0.399 8.036 1.00 0.00 C ATOM 1885 CG ASP A 126 -8.713 -0.184 8.954 1.00 0.00 C ATOM 1886 OD1 ASP A 126 -8.429 -0.444 10.145 1.00 0.00 O ATOM 1887 OD2 ASP A 126 -9.847 -0.403 8.485 1.00 0.00 O ATOM 0 H ASP A 126 -5.925 0.934 6.291 1.00 0.00 H new ATOM 0 HA ASP A 126 -6.160 -1.181 8.217 1.00 0.00 H new ATOM 0 HB2 ASP A 126 -7.029 1.108 8.604 1.00 0.00 H new ATOM 0 HB3 ASP A 126 -8.110 0.959 7.234 1.00 0.00 H new ATOM 1892 N ASN A 127 -7.842 -1.419 5.368 1.00 0.00 N ATOM 1893 CA ASN A 127 -8.520 -2.383 4.468 1.00 0.00 C ATOM 1894 C ASN A 127 -7.586 -3.575 4.201 1.00 0.00 C ATOM 1895 O ASN A 127 -8.043 -4.712 4.085 1.00 0.00 O ATOM 1896 CB ASN A 127 -8.949 -1.722 3.119 1.00 0.00 C ATOM 1897 CG ASN A 127 -10.240 -0.890 3.193 1.00 0.00 C ATOM 1898 OD1 ASN A 127 -11.338 -1.427 3.066 1.00 0.00 O ATOM 1899 ND2 ASN A 127 -10.127 0.421 3.328 1.00 0.00 N ATOM 0 H ASN A 127 -7.655 -0.513 4.939 1.00 0.00 H new ATOM 0 HA ASN A 127 -9.429 -2.726 4.963 1.00 0.00 H new ATOM 0 HB2 ASN A 127 -8.139 -1.081 2.771 1.00 0.00 H new ATOM 0 HB3 ASN A 127 -9.080 -2.505 2.372 1.00 0.00 H new ATOM 0 HD21 ASN A 127 -10.962 1.007 3.328 1.00 0.00 H new ATOM 0 HD22 ASN A 127 -9.205 0.845 3.432 1.00 0.00 H new ATOM 1906 N PHE A 128 -6.280 -3.282 4.109 1.00 0.00 N ATOM 1907 CA PHE A 128 -5.224 -4.292 3.977 1.00 0.00 C ATOM 1908 C PHE A 128 -5.234 -5.235 5.190 1.00 0.00 C ATOM 1909 O PHE A 128 -5.454 -6.430 5.035 1.00 0.00 O ATOM 1910 CB PHE A 128 -3.846 -3.596 3.819 1.00 0.00 C ATOM 1911 CG PHE A 128 -2.641 -4.536 3.837 1.00 0.00 C ATOM 1912 CD1 PHE A 128 -2.555 -5.597 2.940 1.00 0.00 C ATOM 1913 CD2 PHE A 128 -1.604 -4.357 4.748 1.00 0.00 C ATOM 1914 CE1 PHE A 128 -1.471 -6.438 2.950 1.00 0.00 C ATOM 1915 CE2 PHE A 128 -0.519 -5.202 4.755 1.00 0.00 C ATOM 1916 CZ PHE A 128 -0.456 -6.244 3.860 1.00 0.00 C ATOM 0 H PHE A 128 -5.926 -2.326 4.125 1.00 0.00 H new ATOM 0 HA PHE A 128 -5.409 -4.892 3.086 1.00 0.00 H new ATOM 0 HB2 PHE A 128 -3.841 -3.042 2.880 1.00 0.00 H new ATOM 0 HB3 PHE A 128 -3.730 -2.866 4.620 1.00 0.00 H new ATOM 0 HD1 PHE A 128 -3.351 -5.760 2.228 1.00 0.00 H new ATOM 0 HD2 PHE A 128 -1.652 -3.545 5.458 1.00 0.00 H new ATOM 0 HE1 PHE A 128 -1.414 -7.253 2.244 1.00 0.00 H new ATOM 0 HE2 PHE A 128 0.282 -5.047 5.462 1.00 0.00 H new ATOM 0 HZ PHE A 128 0.392 -6.912 3.871 1.00 0.00 H new ATOM 1926 N LYS A 129 -5.022 -4.651 6.380 1.00 0.00 N ATOM 1927 CA LYS A 129 -4.978 -5.365 7.675 1.00 0.00 C ATOM 1928 C LYS A 129 -6.192 -6.305 7.866 1.00 0.00 C ATOM 1929 O LYS A 129 -6.029 -7.498 8.186 1.00 0.00 O ATOM 1930 CB LYS A 129 -4.889 -4.293 8.805 1.00 0.00 C ATOM 1931 CG LYS A 129 -5.134 -4.812 10.234 1.00 0.00 C ATOM 1932 CD LYS A 129 -4.895 -3.736 11.323 1.00 0.00 C ATOM 1933 CE LYS A 129 -5.574 -4.091 12.657 1.00 0.00 C ATOM 1934 NZ LYS A 129 -5.272 -5.469 13.102 1.00 0.00 N ATOM 0 H LYS A 129 -4.873 -3.647 6.475 1.00 0.00 H new ATOM 0 HA LYS A 129 -4.103 -6.014 7.707 1.00 0.00 H new ATOM 0 HB2 LYS A 129 -3.901 -3.834 8.769 1.00 0.00 H new ATOM 0 HB3 LYS A 129 -5.614 -3.507 8.594 1.00 0.00 H new ATOM 0 HG2 LYS A 129 -6.158 -5.176 10.311 1.00 0.00 H new ATOM 0 HG3 LYS A 129 -4.478 -5.662 10.422 1.00 0.00 H new ATOM 0 HD2 LYS A 129 -3.823 -3.618 11.484 1.00 0.00 H new ATOM 0 HD3 LYS A 129 -5.272 -2.776 10.970 1.00 0.00 H new ATOM 0 HE2 LYS A 129 -5.250 -3.387 13.423 1.00 0.00 H new ATOM 0 HE3 LYS A 129 -6.653 -3.975 12.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 -5.845 -5.697 13.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 -5.495 -6.138 12.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 -4.263 -5.543 13.343 1.00 0.00 H new ATOM 1948 N ARG A 130 -7.390 -5.755 7.612 1.00 0.00 N ATOM 1949 CA ARG A 130 -8.656 -6.495 7.732 1.00 0.00 C ATOM 1950 C ARG A 130 -8.704 -7.678 6.746 1.00 0.00 C ATOM 1951 O ARG A 130 -9.105 -8.776 7.130 1.00 0.00 O ATOM 1952 CB ARG A 130 -9.861 -5.550 7.501 1.00 0.00 C ATOM 1953 CG ARG A 130 -11.244 -6.229 7.667 1.00 0.00 C ATOM 1954 CD ARG A 130 -12.425 -5.282 7.397 1.00 0.00 C ATOM 1955 NE ARG A 130 -13.732 -5.943 7.600 1.00 0.00 N ATOM 1956 CZ ARG A 130 -14.902 -5.535 7.084 1.00 0.00 C ATOM 1957 NH1 ARG A 130 -14.970 -4.452 6.313 1.00 0.00 N ATOM 1958 NH2 ARG A 130 -16.004 -6.228 7.344 1.00 0.00 N ATOM 0 H ARG A 130 -7.508 -4.785 7.318 1.00 0.00 H new ATOM 0 HA ARG A 130 -8.716 -6.896 8.744 1.00 0.00 H new ATOM 0 HB2 ARG A 130 -9.793 -4.716 8.199 1.00 0.00 H new ATOM 0 HB3 ARG A 130 -9.793 -5.132 6.497 1.00 0.00 H new ATOM 0 HG2 ARG A 130 -11.307 -7.079 6.988 1.00 0.00 H new ATOM 0 HG3 ARG A 130 -11.328 -6.623 8.680 1.00 0.00 H new ATOM 0 HD2 ARG A 130 -12.352 -4.417 8.056 1.00 0.00 H new ATOM 0 HD3 ARG A 130 -12.363 -4.910 6.374 1.00 0.00 H new ATOM 0 HE ARG A 130 -13.746 -6.781 8.182 1.00 0.00 H new ATOM 0 HH11 ARG A 130 -14.125 -3.919 6.107 1.00 0.00 H new ATOM 0 HH12 ARG A 130 -15.867 -4.155 5.929 1.00 0.00 H new ATOM 0 HH21 ARG A 130 -15.956 -7.061 7.931 1.00 0.00 H new ATOM 0 HH22 ARG A 130 -16.899 -5.927 6.957 1.00 0.00 H new ATOM 1972 N TYR A 131 -8.266 -7.436 5.488 1.00 0.00 N ATOM 1973 CA TYR A 131 -8.256 -8.466 4.424 1.00 0.00 C ATOM 1974 C TYR A 131 -7.356 -9.658 4.805 1.00 0.00 C ATOM 1975 O TYR A 131 -7.751 -10.805 4.630 1.00 0.00 O ATOM 1976 CB TYR A 131 -7.789 -7.872 3.057 1.00 0.00 C ATOM 1977 CG TYR A 131 -7.551 -8.946 1.966 1.00 0.00 C ATOM 1978 CD1 TYR A 131 -8.626 -9.593 1.351 1.00 0.00 C ATOM 1979 CD2 TYR A 131 -6.256 -9.338 1.591 1.00 0.00 C ATOM 1980 CE1 TYR A 131 -8.419 -10.587 0.420 1.00 0.00 C ATOM 1981 CE2 TYR A 131 -6.052 -10.326 0.653 1.00 0.00 C ATOM 1982 CZ TYR A 131 -7.135 -10.945 0.069 1.00 0.00 C ATOM 1983 OH TYR A 131 -6.931 -11.949 -0.854 1.00 0.00 O ATOM 0 H TYR A 131 -7.912 -6.529 5.184 1.00 0.00 H new ATOM 0 HA TYR A 131 -9.281 -8.820 4.318 1.00 0.00 H new ATOM 0 HB2 TYR A 131 -8.539 -7.165 2.702 1.00 0.00 H new ATOM 0 HB3 TYR A 131 -6.868 -7.310 3.210 1.00 0.00 H new ATOM 0 HD1 TYR A 131 -9.635 -9.309 1.610 1.00 0.00 H new ATOM 0 HD2 TYR A 131 -5.404 -8.856 2.047 1.00 0.00 H new ATOM 0 HE1 TYR A 131 -9.262 -11.086 -0.035 1.00 0.00 H new ATOM 0 HE2 TYR A 131 -5.048 -10.614 0.377 1.00 0.00 H new ATOM 0 HH TYR A 131 -7.667 -12.594 -0.804 1.00 0.00 H new ATOM 1993 N VAL A 132 -6.148 -9.354 5.308 1.00 0.00 N ATOM 1994 CA VAL A 132 -5.124 -10.369 5.634 1.00 0.00 C ATOM 1995 C VAL A 132 -5.648 -11.338 6.717 1.00 0.00 C ATOM 1996 O VAL A 132 -5.468 -12.563 6.623 1.00 0.00 O ATOM 1997 CB VAL A 132 -3.781 -9.689 6.116 1.00 0.00 C ATOM 1998 CG1 VAL A 132 -2.686 -10.723 6.456 1.00 0.00 C ATOM 1999 CG2 VAL A 132 -3.261 -8.689 5.066 1.00 0.00 C ATOM 0 H VAL A 132 -5.851 -8.398 5.501 1.00 0.00 H new ATOM 0 HA VAL A 132 -4.913 -10.935 4.726 1.00 0.00 H new ATOM 0 HB VAL A 132 -4.017 -9.149 7.033 1.00 0.00 H new ATOM 0 HG11 VAL A 132 -1.784 -10.204 6.782 1.00 0.00 H new ATOM 0 HG12 VAL A 132 -3.038 -11.376 7.255 1.00 0.00 H new ATOM 0 HG13 VAL A 132 -2.462 -11.320 5.572 1.00 0.00 H new ATOM 0 HG21 VAL A 132 -2.336 -8.235 5.422 1.00 0.00 H new ATOM 0 HG22 VAL A 132 -3.071 -9.212 4.129 1.00 0.00 H new ATOM 0 HG23 VAL A 132 -4.007 -7.911 4.903 1.00 0.00 H new ATOM 2009 N GLU A 133 -6.319 -10.760 7.722 1.00 0.00 N ATOM 2010 CA GLU A 133 -6.903 -11.515 8.850 1.00 0.00 C ATOM 2011 C GLU A 133 -8.260 -12.164 8.485 1.00 0.00 C ATOM 2012 O GLU A 133 -8.686 -13.115 9.144 1.00 0.00 O ATOM 2013 CB GLU A 133 -7.056 -10.565 10.057 1.00 0.00 C ATOM 2014 CG GLU A 133 -5.718 -9.997 10.581 1.00 0.00 C ATOM 2015 CD GLU A 133 -5.888 -8.896 11.638 1.00 0.00 C ATOM 2016 OE1 GLU A 133 -6.679 -9.078 12.586 1.00 0.00 O ATOM 2017 OE2 GLU A 133 -5.243 -7.840 11.527 1.00 0.00 O ATOM 0 H GLU A 133 -6.475 -9.754 7.780 1.00 0.00 H new ATOM 0 HA GLU A 133 -6.230 -12.335 9.102 1.00 0.00 H new ATOM 0 HB2 GLU A 133 -7.705 -9.736 9.774 1.00 0.00 H new ATOM 0 HB3 GLU A 133 -7.554 -11.099 10.866 1.00 0.00 H new ATOM 0 HG2 GLU A 133 -5.130 -10.810 11.007 1.00 0.00 H new ATOM 0 HG3 GLU A 133 -5.149 -9.598 9.741 1.00 0.00 H new ATOM 2024 N ALA A 134 -8.937 -11.642 7.439 1.00 0.00 N ATOM 2025 CA ALA A 134 -10.249 -12.176 6.983 1.00 0.00 C ATOM 2026 C ALA A 134 -10.041 -13.386 6.070 1.00 0.00 C ATOM 2027 O ALA A 134 -10.845 -14.322 6.065 1.00 0.00 O ATOM 2028 CB ALA A 134 -11.060 -11.088 6.256 1.00 0.00 C ATOM 0 H ALA A 134 -8.600 -10.850 6.891 1.00 0.00 H new ATOM 0 HA ALA A 134 -10.814 -12.492 7.860 1.00 0.00 H new ATOM 0 HB1 ALA A 134 -12.015 -11.502 5.932 1.00 0.00 H new ATOM 0 HB2 ALA A 134 -11.237 -10.253 6.933 1.00 0.00 H new ATOM 0 HB3 ALA A 134 -10.503 -10.738 5.387 1.00 0.00 H new ATOM 2034 N ALA A 135 -8.956 -13.333 5.283 1.00 0.00 N ATOM 2035 CA ALA A 135 -8.566 -14.404 4.355 1.00 0.00 C ATOM 2036 C ALA A 135 -7.887 -15.541 5.126 1.00 0.00 C ATOM 2037 O ALA A 135 -8.074 -16.717 4.814 1.00 0.00 O ATOM 2038 CB ALA A 135 -7.638 -13.844 3.263 1.00 0.00 C ATOM 0 H ALA A 135 -8.318 -12.537 5.273 1.00 0.00 H new ATOM 0 HA ALA A 135 -9.457 -14.804 3.871 1.00 0.00 H new ATOM 0 HB1 ALA A 135 -7.355 -14.645 2.580 1.00 0.00 H new ATOM 0 HB2 ALA A 135 -8.158 -13.062 2.709 1.00 0.00 H new ATOM 0 HB3 ALA A 135 -6.743 -13.427 3.725 1.00 0.00 H new ATOM 2044 N GLY A 136 -7.078 -15.161 6.129 1.00 0.00 N ATOM 2045 CA GLY A 136 -6.380 -16.120 6.992 1.00 0.00 C ATOM 2046 C GLY A 136 -5.003 -16.481 6.464 1.00 0.00 C ATOM 2047 O GLY A 136 -4.043 -16.568 7.239 1.00 0.00 O ATOM 0 H GLY A 136 -6.892 -14.185 6.361 1.00 0.00 H new ATOM 0 HA2 GLY A 136 -6.283 -15.700 7.993 1.00 0.00 H new ATOM 0 HA3 GLY A 136 -6.980 -17.026 7.083 1.00 0.00 H new ATOM 2051 N LEU A 137 -4.943 -16.734 5.135 1.00 0.00 N ATOM 2052 CA LEU A 137 -3.707 -16.974 4.374 1.00 0.00 C ATOM 2053 C LEU A 137 -2.905 -18.133 4.990 1.00 0.00 C ATOM 2054 O LEU A 137 -1.754 -17.966 5.421 1.00 0.00 O ATOM 2055 CB LEU A 137 -2.901 -15.651 4.236 1.00 0.00 C ATOM 2056 CG LEU A 137 -3.677 -14.466 3.562 1.00 0.00 C ATOM 2057 CD1 LEU A 137 -2.843 -13.167 3.562 1.00 0.00 C ATOM 2058 CD2 LEU A 137 -4.136 -14.837 2.131 1.00 0.00 C ATOM 0 H LEU A 137 -5.779 -16.777 4.552 1.00 0.00 H new ATOM 0 HA LEU A 137 -3.951 -17.292 3.360 1.00 0.00 H new ATOM 0 HB2 LEU A 137 -2.578 -15.336 5.228 1.00 0.00 H new ATOM 0 HB3 LEU A 137 -2.000 -15.851 3.656 1.00 0.00 H new ATOM 0 HG LEU A 137 -4.569 -14.280 4.160 1.00 0.00 H new ATOM 0 HD11 LEU A 137 -3.413 -12.369 3.087 1.00 0.00 H new ATOM 0 HD12 LEU A 137 -2.609 -12.885 4.589 1.00 0.00 H new ATOM 0 HD13 LEU A 137 -1.917 -13.329 3.010 1.00 0.00 H new ATOM 0 HD21 LEU A 137 -4.671 -13.995 1.691 1.00 0.00 H new ATOM 0 HD22 LEU A 137 -3.265 -15.074 1.519 1.00 0.00 H new ATOM 0 HD23 LEU A 137 -4.796 -15.704 2.174 1.00 0.00 H new