USER MOD reduce.3.24.130724 H: found=0, std=0, add=901, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 904 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 36 SER OG : rot 180:sc= -0.127 USER MOD Set 1.2: A 51 GLN : amide:sc= 0 X(o=-0.13,f=-0.5) USER MOD Set 2.1: A 27 LYS NZ :NH3+ -177:sc= -1.09! (180deg=-2.09!) USER MOD Set 2.2: A 31 ASN : amide:sc= 0.413 K(o=-2.6,f=-13) USER MOD Set 2.3: A 91 GLN : amide:sc= -1.96 K(o=-2.6,f=-9.1!) USER MOD Set 3.1: A 24 THR OG1 : rot 36:sc= 1.25 USER MOD Set 3.2: A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 30 GLN : amide:sc= -1.9 K(o=-1.9,f=-0.48) USER MOD Single : A 42 GLN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 43 TYR OH : rot -133:sc= 0.837 USER MOD Single : A 44 CYS SG : rot -80:sc= -3.04 USER MOD Single : A 46 CYS SG : rot 180:sc= -2.28! USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 THR OG1 : rot 131:sc= 0.0427 USER MOD Single : A 63 THR OG1 : rot -52:sc= 0.575 USER MOD Single : A 71 THR OG1 : rot -27:sc= 0.0309 USER MOD Single : A 74 ASN : amide:sc= -0.614 K(o=-0.61,f=-2.8!) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 163:sc= 1.39 (180deg=-0.0229!) USER MOD Single : A 81 LYS NZ :NH3+ -168:sc= 0.451 (180deg=-0.339) USER MOD Single : A 82 THR OG1 : rot 99:sc= 1.25 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 101 TYR OH : rot -0:sc= -3.75! USER MOD Single : A 102 ASN : amide:sc= -0.482 K(o=-0.48,f=-5.4!) USER MOD Single : A 103 LYS NZ :NH3+ -152:sc= 1.05 (180deg=-0.596!) USER MOD Single : A 105 GLN : amide:sc= -1.62! C(o=-1.6!,f=-6.6!) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 GLN : amide:sc= -0.262 X(o=-0.26,f=-0.73) USER MOD Single : A 116 GLN : amide:sc= -0.387 X(o=-0.39,f=-0.18) USER MOD Single : A 119 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 121 THR OG1 : rot -44:sc= 0.588 USER MOD Single : A 124 HIS : no HD1:sc= -0.287 X(o=-0.29,f=0.00086) USER MOD Single : A 127 LYS NZ :NH3+ -160:sc= 0.563 (180deg=0.124) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 13 10.880 -10.009 21.514 1.00 0.00 N ATOM 2 CA GLY A 13 11.413 -9.769 20.152 1.00 0.00 C ATOM 3 C GLY A 13 10.378 -9.145 19.242 1.00 0.00 C ATOM 4 O GLY A 13 9.217 -9.553 19.241 1.00 0.00 O ATOM 0 HA2 GLY A 13 12.284 -9.116 20.213 1.00 0.00 H new ATOM 0 HA3 GLY A 13 11.752 -10.712 19.723 1.00 0.00 H new ATOM 10 N SER A 14 10.786 -8.140 18.484 1.00 0.00 N ATOM 11 CA SER A 14 9.887 -7.460 17.566 1.00 0.00 C ATOM 12 C SER A 14 10.636 -7.058 16.299 1.00 0.00 C ATOM 13 O SER A 14 11.866 -6.991 16.317 1.00 0.00 O ATOM 14 CB SER A 14 9.293 -6.217 18.234 1.00 0.00 C ATOM 15 OG SER A 14 8.621 -6.550 19.439 1.00 0.00 O ATOM 0 H SER A 14 11.739 -7.776 18.487 1.00 0.00 H new ATOM 0 HA SER A 14 9.079 -8.141 17.300 1.00 0.00 H new ATOM 0 HB2 SER A 14 10.087 -5.500 18.444 1.00 0.00 H new ATOM 0 HB3 SER A 14 8.598 -5.731 17.550 1.00 0.00 H new ATOM 0 HG SER A 14 8.254 -5.737 19.844 1.00 0.00 H new ATOM 21 N PRO A 15 9.927 -6.813 15.183 1.00 0.00 N ATOM 22 CA PRO A 15 10.552 -6.304 13.958 1.00 0.00 C ATOM 23 C PRO A 15 11.386 -5.059 14.242 1.00 0.00 C ATOM 24 O PRO A 15 12.534 -4.954 13.800 1.00 0.00 O ATOM 25 CB PRO A 15 9.356 -5.964 13.066 1.00 0.00 C ATOM 26 CG PRO A 15 8.272 -6.871 13.533 1.00 0.00 C ATOM 27 CD PRO A 15 8.477 -7.027 15.014 1.00 0.00 C ATOM 0 HA PRO A 15 11.237 -7.020 13.504 1.00 0.00 H new ATOM 0 HB2 PRO A 15 9.069 -4.917 13.169 1.00 0.00 H new ATOM 0 HB3 PRO A 15 9.586 -6.130 12.014 1.00 0.00 H new ATOM 0 HG2 PRO A 15 7.290 -6.450 13.317 1.00 0.00 H new ATOM 0 HG3 PRO A 15 8.324 -7.835 13.027 1.00 0.00 H new ATOM 0 HD2 PRO A 15 7.895 -6.299 15.579 1.00 0.00 H new ATOM 0 HD3 PRO A 15 8.174 -8.015 15.360 1.00 0.00 H new ATOM 35 N GLY A 16 10.812 -4.135 15.003 1.00 0.00 N ATOM 36 CA GLY A 16 11.540 -2.953 15.413 1.00 0.00 C ATOM 37 C GLY A 16 11.847 -2.043 14.250 1.00 0.00 C ATOM 38 O GLY A 16 13.005 -1.901 13.846 1.00 0.00 O ATOM 0 H GLY A 16 9.852 -4.185 15.344 1.00 0.00 H new ATOM 0 HA2 GLY A 16 10.957 -2.408 16.155 1.00 0.00 H new ATOM 0 HA3 GLY A 16 12.471 -3.251 15.895 1.00 0.00 H new ATOM 42 N ILE A 17 10.812 -1.433 13.701 1.00 0.00 N ATOM 43 CA ILE A 17 10.986 -0.548 12.570 1.00 0.00 C ATOM 44 C ILE A 17 11.463 0.820 13.041 1.00 0.00 C ATOM 45 O ILE A 17 11.162 1.233 14.163 1.00 0.00 O ATOM 46 CB ILE A 17 9.696 -0.422 11.727 1.00 0.00 C ATOM 47 CG1 ILE A 17 8.553 0.183 12.546 1.00 0.00 C ATOM 48 CG2 ILE A 17 9.319 -1.784 11.175 1.00 0.00 C ATOM 49 CD1 ILE A 17 7.238 0.256 11.797 1.00 0.00 C ATOM 0 H ILE A 17 9.848 -1.535 14.020 1.00 0.00 H new ATOM 0 HA ILE A 17 11.747 -0.984 11.923 1.00 0.00 H new ATOM 0 HB ILE A 17 9.883 0.256 10.895 1.00 0.00 H new ATOM 0 HG12 ILE A 17 8.413 -0.409 13.450 1.00 0.00 H new ATOM 0 HG13 ILE A 17 8.837 1.187 12.863 1.00 0.00 H new ATOM 0 HG21 ILE A 17 8.410 -1.697 10.580 1.00 0.00 H new ATOM 0 HG22 ILE A 17 10.128 -2.159 10.548 1.00 0.00 H new ATOM 0 HG23 ILE A 17 9.148 -2.476 12.000 1.00 0.00 H new ATOM 0 HD11 ILE A 17 6.476 0.695 12.441 1.00 0.00 H new ATOM 0 HD12 ILE A 17 7.360 0.873 10.907 1.00 0.00 H new ATOM 0 HD13 ILE A 17 6.930 -0.748 11.504 1.00 0.00 H new ATOM 61 N PRO A 18 12.219 1.525 12.198 1.00 0.00 N ATOM 62 CA PRO A 18 12.911 2.758 12.586 1.00 0.00 C ATOM 63 C PRO A 18 11.939 3.849 13.032 1.00 0.00 C ATOM 64 O PRO A 18 11.755 4.080 14.229 1.00 0.00 O ATOM 65 CB PRO A 18 13.659 3.168 11.311 1.00 0.00 C ATOM 66 CG PRO A 18 12.951 2.469 10.206 1.00 0.00 C ATOM 67 CD PRO A 18 12.428 1.192 10.787 1.00 0.00 C ATOM 0 HA PRO A 18 13.571 2.609 13.441 1.00 0.00 H new ATOM 0 HB2 PRO A 18 13.638 4.249 11.172 1.00 0.00 H new ATOM 0 HB3 PRO A 18 14.707 2.873 11.357 1.00 0.00 H new ATOM 0 HG2 PRO A 18 12.138 3.081 9.816 1.00 0.00 H new ATOM 0 HG3 PRO A 18 13.627 2.270 9.375 1.00 0.00 H new ATOM 0 HD2 PRO A 18 11.501 0.881 10.305 1.00 0.00 H new ATOM 0 HD3 PRO A 18 13.139 0.375 10.668 1.00 0.00 H new ATOM 75 N VAL A 19 11.310 4.503 12.069 1.00 0.00 N ATOM 76 CA VAL A 19 10.301 5.482 12.343 1.00 0.00 C ATOM 77 C VAL A 19 8.968 4.998 11.790 1.00 0.00 C ATOM 78 O VAL A 19 8.835 4.748 10.590 1.00 0.00 O ATOM 79 CB VAL A 19 10.668 6.836 11.718 1.00 0.00 C ATOM 80 CG1 VAL A 19 9.488 7.773 11.756 1.00 0.00 C ATOM 81 CG2 VAL A 19 11.865 7.449 12.425 1.00 0.00 C ATOM 0 H VAL A 19 11.494 4.361 11.076 1.00 0.00 H new ATOM 0 HA VAL A 19 10.225 5.616 13.422 1.00 0.00 H new ATOM 0 HB VAL A 19 10.940 6.669 10.676 1.00 0.00 H new ATOM 0 HG11 VAL A 19 9.767 8.727 11.309 1.00 0.00 H new ATOM 0 HG12 VAL A 19 8.660 7.338 11.196 1.00 0.00 H new ATOM 0 HG13 VAL A 19 9.183 7.932 12.790 1.00 0.00 H new ATOM 0 HG21 VAL A 19 12.107 8.407 11.966 1.00 0.00 H new ATOM 0 HG22 VAL A 19 11.627 7.601 13.478 1.00 0.00 H new ATOM 0 HG23 VAL A 19 12.721 6.779 12.339 1.00 0.00 H new ATOM 91 N PRO A 20 7.987 4.831 12.673 1.00 0.00 N ATOM 92 CA PRO A 20 6.644 4.381 12.310 1.00 0.00 C ATOM 93 C PRO A 20 5.902 5.404 11.460 1.00 0.00 C ATOM 94 O PRO A 20 5.905 6.602 11.758 1.00 0.00 O ATOM 95 CB PRO A 20 5.954 4.206 13.663 1.00 0.00 C ATOM 96 CG PRO A 20 6.696 5.104 14.587 1.00 0.00 C ATOM 97 CD PRO A 20 8.118 5.080 14.111 1.00 0.00 C ATOM 0 HA PRO A 20 6.665 3.474 11.707 1.00 0.00 H new ATOM 0 HB2 PRO A 20 4.900 4.479 13.608 1.00 0.00 H new ATOM 0 HB3 PRO A 20 5.998 3.170 13.998 1.00 0.00 H new ATOM 0 HG2 PRO A 20 6.290 6.115 14.562 1.00 0.00 H new ATOM 0 HG3 PRO A 20 6.621 4.756 15.617 1.00 0.00 H new ATOM 0 HD2 PRO A 20 8.625 6.024 14.311 1.00 0.00 H new ATOM 0 HD3 PRO A 20 8.694 4.297 14.604 1.00 0.00 H new ATOM 105 N GLY A 21 5.263 4.924 10.413 1.00 0.00 N ATOM 106 CA GLY A 21 4.534 5.798 9.521 1.00 0.00 C ATOM 107 C GLY A 21 3.319 5.115 8.947 1.00 0.00 C ATOM 108 O GLY A 21 3.352 3.916 8.672 1.00 0.00 O ATOM 0 H GLY A 21 5.234 3.936 10.160 1.00 0.00 H new ATOM 0 HA2 GLY A 21 4.228 6.695 10.059 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.188 6.120 8.711 1.00 0.00 H new ATOM 112 N LYS A 22 2.242 5.863 8.776 1.00 0.00 N ATOM 113 CA LYS A 22 1.008 5.305 8.250 1.00 0.00 C ATOM 114 C LYS A 22 0.097 6.399 7.712 1.00 0.00 C ATOM 115 O LYS A 22 -0.050 7.458 8.324 1.00 0.00 O ATOM 116 CB LYS A 22 0.274 4.502 9.335 1.00 0.00 C ATOM 117 CG LYS A 22 -0.056 5.306 10.586 1.00 0.00 C ATOM 118 CD LYS A 22 -0.813 4.472 11.606 1.00 0.00 C ATOM 119 CE LYS A 22 -1.114 5.271 12.865 1.00 0.00 C ATOM 120 NZ LYS A 22 -1.856 4.468 13.871 1.00 0.00 N ATOM 0 H LYS A 22 2.197 6.858 8.994 1.00 0.00 H new ATOM 0 HA LYS A 22 1.269 4.638 7.428 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -0.651 4.106 8.916 1.00 0.00 H new ATOM 0 HB3 LYS A 22 0.888 3.647 9.617 1.00 0.00 H new ATOM 0 HG2 LYS A 22 0.866 5.679 11.033 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -0.653 6.176 10.313 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -1.746 4.117 11.167 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -0.226 3.591 11.865 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -0.180 5.625 13.301 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -1.698 6.153 12.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -2.040 5.050 14.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -2.759 4.151 13.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -1.288 3.639 14.141 1.00 0.00 H new ATOM 134 N VAL A 23 -0.497 6.146 6.557 1.00 0.00 N ATOM 135 CA VAL A 23 -1.535 7.025 6.033 1.00 0.00 C ATOM 136 C VAL A 23 -2.716 6.169 5.603 1.00 0.00 C ATOM 137 O VAL A 23 -2.562 4.969 5.374 1.00 0.00 O ATOM 138 CB VAL A 23 -1.052 7.933 4.859 1.00 0.00 C ATOM 139 CG1 VAL A 23 0.219 8.679 5.233 1.00 0.00 C ATOM 140 CG2 VAL A 23 -0.842 7.155 3.568 1.00 0.00 C ATOM 0 H VAL A 23 -0.281 5.344 5.965 1.00 0.00 H new ATOM 0 HA VAL A 23 -1.823 7.713 6.828 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.849 8.655 4.679 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.533 9.304 4.397 1.00 0.00 H new ATOM 0 HG12 VAL A 23 0.030 9.306 6.104 1.00 0.00 H new ATOM 0 HG13 VAL A 23 1.006 7.962 5.466 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.506 7.834 2.784 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -0.089 6.383 3.727 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.780 6.689 3.267 1.00 0.00 H new ATOM 150 N THR A 24 -3.897 6.753 5.537 1.00 0.00 N ATOM 151 CA THR A 24 -5.073 5.992 5.172 1.00 0.00 C ATOM 152 C THR A 24 -5.811 6.653 4.012 1.00 0.00 C ATOM 153 O THR A 24 -6.036 7.866 4.002 1.00 0.00 O ATOM 154 CB THR A 24 -6.021 5.786 6.378 1.00 0.00 C ATOM 155 OG1 THR A 24 -7.123 4.952 6.002 1.00 0.00 O ATOM 156 CG2 THR A 24 -6.543 7.113 6.915 1.00 0.00 C ATOM 0 H THR A 24 -4.066 7.740 5.729 1.00 0.00 H new ATOM 0 HA THR A 24 -4.735 5.007 4.849 1.00 0.00 H new ATOM 0 HB THR A 24 -5.448 5.302 7.169 1.00 0.00 H new ATOM 0 HG1 THR A 24 -6.816 4.269 5.369 1.00 0.00 H new ATOM 0 HG21 THR A 24 -7.205 6.928 7.761 1.00 0.00 H new ATOM 0 HG22 THR A 24 -5.704 7.730 7.239 1.00 0.00 H new ATOM 0 HG23 THR A 24 -7.093 7.632 6.130 1.00 0.00 H new ATOM 164 N LEU A 25 -6.144 5.843 3.020 1.00 0.00 N ATOM 165 CA LEU A 25 -6.845 6.309 1.835 1.00 0.00 C ATOM 166 C LEU A 25 -8.078 5.453 1.609 1.00 0.00 C ATOM 167 O LEU A 25 -8.425 4.610 2.439 1.00 0.00 O ATOM 168 CB LEU A 25 -5.952 6.228 0.584 1.00 0.00 C ATOM 169 CG LEU A 25 -4.723 7.142 0.543 1.00 0.00 C ATOM 170 CD1 LEU A 25 -5.095 8.571 0.902 1.00 0.00 C ATOM 171 CD2 LEU A 25 -3.625 6.612 1.452 1.00 0.00 C ATOM 0 H LEU A 25 -5.936 4.844 3.014 1.00 0.00 H new ATOM 0 HA LEU A 25 -7.123 7.350 1.998 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.611 5.198 0.478 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -6.569 6.451 -0.287 1.00 0.00 H new ATOM 0 HG LEU A 25 -4.338 7.148 -0.477 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.205 9.199 0.865 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -5.832 8.945 0.191 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -5.515 8.596 1.907 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.763 7.277 1.407 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.993 6.564 2.477 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.332 5.615 1.125 1.00 0.00 H new ATOM 183 N GLN A 26 -8.713 5.655 0.470 1.00 0.00 N ATOM 184 CA GLN A 26 -9.872 4.886 0.091 1.00 0.00 C ATOM 185 C GLN A 26 -9.699 4.351 -1.306 1.00 0.00 C ATOM 186 O GLN A 26 -9.222 5.053 -2.194 1.00 0.00 O ATOM 187 CB GLN A 26 -11.148 5.713 0.197 1.00 0.00 C ATOM 188 CG GLN A 26 -11.622 5.866 1.626 1.00 0.00 C ATOM 189 CD GLN A 26 -12.819 6.782 1.760 1.00 0.00 C ATOM 190 OE1 GLN A 26 -13.000 7.707 0.969 1.00 0.00 O ATOM 191 NE2 GLN A 26 -13.637 6.535 2.768 1.00 0.00 N ATOM 0 H GLN A 26 -8.436 6.358 -0.215 1.00 0.00 H new ATOM 0 HA GLN A 26 -9.967 4.049 0.782 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -10.974 6.700 -0.232 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -11.933 5.242 -0.394 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -11.877 4.884 2.025 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -10.805 6.255 2.234 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -13.448 5.757 3.399 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -14.458 7.123 2.915 1.00 0.00 H new ATOM 200 N LYS A 27 -10.073 3.093 -1.458 1.00 0.00 N ATOM 201 CA LYS A 27 -9.928 2.347 -2.712 1.00 0.00 C ATOM 202 C LYS A 27 -10.253 3.175 -3.948 1.00 0.00 C ATOM 203 O LYS A 27 -11.143 4.024 -3.951 1.00 0.00 O ATOM 204 CB LYS A 27 -10.848 1.134 -2.724 1.00 0.00 C ATOM 205 CG LYS A 27 -10.661 0.190 -1.560 1.00 0.00 C ATOM 206 CD LYS A 27 -9.241 -0.311 -1.502 1.00 0.00 C ATOM 207 CE LYS A 27 -9.147 -1.650 -0.807 1.00 0.00 C ATOM 208 NZ LYS A 27 -9.696 -2.747 -1.647 1.00 0.00 N ATOM 0 H LYS A 27 -10.493 2.546 -0.707 1.00 0.00 H new ATOM 0 HA LYS A 27 -8.879 2.054 -2.753 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -11.882 1.479 -2.732 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -10.688 0.583 -3.651 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -10.910 0.699 -0.629 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -11.345 -0.653 -1.656 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -8.844 -0.398 -2.514 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -8.620 0.415 -0.977 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -8.105 -1.863 -0.567 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -9.690 -1.608 0.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -9.661 -3.641 -1.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -10.682 -2.532 -1.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -9.130 -2.836 -2.515 1.00 0.00 H new ATOM 222 N ASP A 28 -9.528 2.864 -4.995 1.00 0.00 N ATOM 223 CA ASP A 28 -9.688 3.483 -6.299 1.00 0.00 C ATOM 224 C ASP A 28 -10.880 2.852 -7.017 1.00 0.00 C ATOM 225 O ASP A 28 -11.518 1.953 -6.467 1.00 0.00 O ATOM 226 CB ASP A 28 -8.386 3.279 -7.093 1.00 0.00 C ATOM 227 CG ASP A 28 -8.429 3.799 -8.514 1.00 0.00 C ATOM 228 OD1 ASP A 28 -8.179 5.003 -8.720 1.00 0.00 O ATOM 229 OD2 ASP A 28 -8.709 2.996 -9.429 1.00 0.00 O ATOM 0 H ASP A 28 -8.792 2.158 -4.969 1.00 0.00 H new ATOM 0 HA ASP A 28 -9.882 4.551 -6.202 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -7.571 3.773 -6.563 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -8.152 2.215 -7.116 1.00 0.00 H new ATOM 234 N ALA A 29 -11.183 3.301 -8.225 1.00 0.00 N ATOM 235 CA ALA A 29 -12.245 2.703 -9.019 1.00 0.00 C ATOM 236 C ALA A 29 -12.006 1.203 -9.199 1.00 0.00 C ATOM 237 O ALA A 29 -12.952 0.417 -9.259 1.00 0.00 O ATOM 238 CB ALA A 29 -12.341 3.391 -10.370 1.00 0.00 C ATOM 0 H ALA A 29 -10.706 4.081 -8.678 1.00 0.00 H new ATOM 0 HA ALA A 29 -13.189 2.837 -8.490 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -13.139 2.934 -10.955 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -12.557 4.449 -10.225 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -11.395 3.284 -10.901 1.00 0.00 H new ATOM 244 N GLN A 30 -10.736 0.810 -9.255 1.00 0.00 N ATOM 245 CA GLN A 30 -10.376 -0.592 -9.439 1.00 0.00 C ATOM 246 C GLN A 30 -10.171 -1.286 -8.094 1.00 0.00 C ATOM 247 O GLN A 30 -9.545 -2.347 -8.013 1.00 0.00 O ATOM 248 CB GLN A 30 -9.118 -0.708 -10.259 1.00 0.00 C ATOM 249 CG GLN A 30 -9.034 -1.985 -11.067 1.00 0.00 C ATOM 250 CD GLN A 30 -7.881 -1.959 -12.035 1.00 0.00 C ATOM 251 OE1 GLN A 30 -8.020 -1.523 -13.179 1.00 0.00 O ATOM 252 NE2 GLN A 30 -6.736 -2.425 -11.592 1.00 0.00 N ATOM 0 H GLN A 30 -9.940 1.443 -9.176 1.00 0.00 H new ATOM 0 HA GLN A 30 -11.197 -1.080 -9.964 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -9.056 0.144 -10.936 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -8.255 -0.651 -9.595 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -8.924 -2.835 -10.393 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -9.965 -2.131 -11.615 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -6.664 -2.777 -10.637 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -5.919 -2.435 -12.203 1.00 0.00 H new ATOM 261 N ASN A 31 -10.677 -0.650 -7.047 1.00 0.00 N ATOM 262 CA ASN A 31 -10.697 -1.215 -5.689 1.00 0.00 C ATOM 263 C ASN A 31 -9.299 -1.249 -5.068 1.00 0.00 C ATOM 264 O ASN A 31 -9.090 -1.849 -4.026 1.00 0.00 O ATOM 265 CB ASN A 31 -11.294 -2.636 -5.710 1.00 0.00 C ATOM 266 CG ASN A 31 -11.535 -3.226 -4.337 1.00 0.00 C ATOM 267 OD1 ASN A 31 -11.816 -2.516 -3.369 1.00 0.00 O ATOM 268 ND2 ASN A 31 -11.413 -4.536 -4.241 1.00 0.00 N ATOM 0 H ASN A 31 -11.090 0.280 -7.108 1.00 0.00 H new ATOM 0 HA ASN A 31 -11.322 -0.567 -5.075 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -12.238 -2.614 -6.255 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -10.622 -3.293 -6.263 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -11.552 -4.997 -3.342 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -11.179 -5.088 -5.066 1.00 0.00 H new ATOM 275 N LEU A 32 -8.347 -0.571 -5.671 1.00 0.00 N ATOM 276 CA LEU A 32 -6.970 -0.658 -5.194 1.00 0.00 C ATOM 277 C LEU A 32 -6.413 0.696 -4.814 1.00 0.00 C ATOM 278 O LEU A 32 -7.149 1.674 -4.730 1.00 0.00 O ATOM 279 CB LEU A 32 -6.082 -1.338 -6.246 1.00 0.00 C ATOM 280 CG LEU A 32 -6.323 -0.921 -7.704 1.00 0.00 C ATOM 281 CD1 LEU A 32 -5.921 0.526 -7.954 1.00 0.00 C ATOM 282 CD2 LEU A 32 -5.563 -1.842 -8.636 1.00 0.00 C ATOM 0 H LEU A 32 -8.488 0.037 -6.477 1.00 0.00 H new ATOM 0 HA LEU A 32 -6.974 -1.267 -4.290 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.040 -1.135 -5.999 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -6.223 -2.416 -6.169 1.00 0.00 H new ATOM 0 HG LEU A 32 -7.392 -1.003 -7.901 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -6.108 0.780 -8.997 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.506 1.183 -7.310 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.861 0.652 -7.734 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.739 -1.540 -9.669 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.497 -1.782 -8.417 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.906 -2.867 -8.494 1.00 0.00 H new ATOM 294 N ILE A 33 -5.116 0.748 -4.560 1.00 0.00 N ATOM 295 CA ILE A 33 -4.491 1.977 -4.150 1.00 0.00 C ATOM 296 C ILE A 33 -3.641 2.579 -5.260 1.00 0.00 C ATOM 297 O ILE A 33 -3.505 3.796 -5.345 1.00 0.00 O ATOM 298 CB ILE A 33 -3.640 1.768 -2.891 1.00 0.00 C ATOM 299 CG1 ILE A 33 -3.645 0.288 -2.478 1.00 0.00 C ATOM 300 CG2 ILE A 33 -4.184 2.641 -1.774 1.00 0.00 C ATOM 301 CD1 ILE A 33 -2.661 -0.039 -1.375 1.00 0.00 C ATOM 0 H ILE A 33 -4.484 -0.049 -4.633 1.00 0.00 H new ATOM 0 HA ILE A 33 -5.292 2.680 -3.922 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.608 2.052 -3.098 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -4.648 0.015 -2.151 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -3.416 -0.324 -3.350 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -3.584 2.498 -0.875 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -4.141 3.687 -2.076 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -5.218 2.365 -1.568 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.721 -1.101 -1.137 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.651 0.202 -1.705 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.902 0.546 -0.487 1.00 0.00 H new ATOM 313 N GLY A 34 -3.092 1.731 -6.125 1.00 0.00 N ATOM 314 CA GLY A 34 -2.288 2.225 -7.230 1.00 0.00 C ATOM 315 C GLY A 34 -0.800 2.270 -6.922 1.00 0.00 C ATOM 316 O GLY A 34 -0.117 3.223 -7.300 1.00 0.00 O ATOM 0 H GLY A 34 -3.188 0.716 -6.082 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -2.452 1.590 -8.101 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -2.627 3.226 -7.497 1.00 0.00 H new ATOM 320 N ILE A 35 -0.294 1.252 -6.236 1.00 0.00 N ATOM 321 CA ILE A 35 1.135 1.172 -5.919 1.00 0.00 C ATOM 322 C ILE A 35 1.760 -0.113 -6.417 1.00 0.00 C ATOM 323 O ILE A 35 1.086 -0.991 -6.955 1.00 0.00 O ATOM 324 CB ILE A 35 1.394 1.279 -4.401 1.00 0.00 C ATOM 325 CG1 ILE A 35 0.497 0.315 -3.607 1.00 0.00 C ATOM 326 CG2 ILE A 35 1.187 2.704 -3.932 1.00 0.00 C ATOM 327 CD1 ILE A 35 0.919 -1.141 -3.641 1.00 0.00 C ATOM 0 H ILE A 35 -0.847 0.469 -5.887 1.00 0.00 H new ATOM 0 HA ILE A 35 1.595 2.018 -6.430 1.00 0.00 H new ATOM 0 HB ILE A 35 2.430 0.994 -4.217 1.00 0.00 H new ATOM 0 HG12 ILE A 35 0.469 0.644 -2.568 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -0.520 0.390 -3.993 1.00 0.00 H new ATOM 0 HG21 ILE A 35 1.373 2.765 -2.860 1.00 0.00 H new ATOM 0 HG22 ILE A 35 1.877 3.364 -4.458 1.00 0.00 H new ATOM 0 HG23 ILE A 35 0.162 3.010 -4.140 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.222 -1.736 -3.051 1.00 0.00 H new ATOM 0 HD12 ILE A 35 0.918 -1.496 -4.671 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.922 -1.239 -3.225 1.00 0.00 H new ATOM 339 N SER A 36 3.055 -0.205 -6.193 1.00 0.00 N ATOM 340 CA SER A 36 3.838 -1.376 -6.524 1.00 0.00 C ATOM 341 C SER A 36 4.979 -1.528 -5.550 1.00 0.00 C ATOM 342 O SER A 36 5.865 -0.682 -5.471 1.00 0.00 O ATOM 343 CB SER A 36 4.365 -1.291 -7.947 1.00 0.00 C ATOM 344 OG SER A 36 3.320 -1.541 -8.848 1.00 0.00 O ATOM 0 H SER A 36 3.601 0.545 -5.769 1.00 0.00 H new ATOM 0 HA SER A 36 3.193 -2.252 -6.453 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.790 -0.304 -8.131 1.00 0.00 H new ATOM 0 HB3 SER A 36 5.167 -2.015 -8.093 1.00 0.00 H new ATOM 0 HG SER A 36 3.659 -1.485 -9.766 1.00 0.00 H new ATOM 350 N ILE A 37 4.945 -2.605 -4.806 1.00 0.00 N ATOM 351 CA ILE A 37 5.969 -2.867 -3.806 1.00 0.00 C ATOM 352 C ILE A 37 6.921 -3.952 -4.291 1.00 0.00 C ATOM 353 O ILE A 37 6.500 -5.045 -4.682 1.00 0.00 O ATOM 354 CB ILE A 37 5.363 -3.239 -2.429 1.00 0.00 C ATOM 355 CG1 ILE A 37 6.466 -3.661 -1.448 1.00 0.00 C ATOM 356 CG2 ILE A 37 4.316 -4.330 -2.570 1.00 0.00 C ATOM 357 CD1 ILE A 37 5.946 -4.092 -0.092 1.00 0.00 C ATOM 0 H ILE A 37 4.221 -3.321 -4.868 1.00 0.00 H new ATOM 0 HA ILE A 37 6.530 -1.943 -3.666 1.00 0.00 H new ATOM 0 HB ILE A 37 4.870 -2.354 -2.027 1.00 0.00 H new ATOM 0 HG12 ILE A 37 7.035 -4.481 -1.886 1.00 0.00 H new ATOM 0 HG13 ILE A 37 7.158 -2.829 -1.314 1.00 0.00 H new ATOM 0 HG21 ILE A 37 3.908 -4.571 -1.589 1.00 0.00 H new ATOM 0 HG22 ILE A 37 3.514 -3.983 -3.221 1.00 0.00 H new ATOM 0 HG23 ILE A 37 4.774 -5.220 -3.001 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.783 -4.375 0.546 1.00 0.00 H new ATOM 0 HD12 ILE A 37 5.402 -3.267 0.368 1.00 0.00 H new ATOM 0 HD13 ILE A 37 5.277 -4.944 -0.213 1.00 0.00 H new ATOM 369 N GLY A 38 8.206 -3.632 -4.284 1.00 0.00 N ATOM 370 CA GLY A 38 9.204 -4.551 -4.788 1.00 0.00 C ATOM 371 C GLY A 38 10.181 -4.991 -3.724 1.00 0.00 C ATOM 372 O GLY A 38 10.624 -4.188 -2.904 1.00 0.00 O ATOM 0 H GLY A 38 8.577 -2.748 -3.936 1.00 0.00 H new ATOM 0 HA2 GLY A 38 8.708 -5.427 -5.204 1.00 0.00 H new ATOM 0 HA3 GLY A 38 9.750 -4.077 -5.603 1.00 0.00 H new ATOM 376 N GLY A 39 10.503 -6.274 -3.730 1.00 0.00 N ATOM 377 CA GLY A 39 11.419 -6.812 -2.754 1.00 0.00 C ATOM 378 C GLY A 39 12.735 -7.246 -3.357 1.00 0.00 C ATOM 379 O GLY A 39 12.816 -7.488 -4.562 1.00 0.00 O ATOM 0 H GLY A 39 10.143 -6.955 -4.399 1.00 0.00 H new ATOM 0 HA2 GLY A 39 11.607 -6.061 -1.987 1.00 0.00 H new ATOM 0 HA3 GLY A 39 10.954 -7.664 -2.258 1.00 0.00 H new ATOM 383 N GLY A 40 13.770 -7.353 -2.528 1.00 0.00 N ATOM 384 CA GLY A 40 15.042 -7.838 -3.029 1.00 0.00 C ATOM 385 C GLY A 40 16.211 -7.561 -2.106 1.00 0.00 C ATOM 386 O GLY A 40 16.777 -6.469 -2.121 1.00 0.00 O ATOM 0 H GLY A 40 13.752 -7.117 -1.536 1.00 0.00 H new ATOM 0 HA2 GLY A 40 14.970 -8.913 -3.195 1.00 0.00 H new ATOM 0 HA3 GLY A 40 15.239 -7.378 -3.997 1.00 0.00 H new ATOM 390 N ALA A 41 16.564 -8.550 -1.299 1.00 0.00 N ATOM 391 CA ALA A 41 17.753 -8.479 -0.464 1.00 0.00 C ATOM 392 C ALA A 41 18.279 -9.887 -0.219 1.00 0.00 C ATOM 393 O ALA A 41 17.540 -10.865 -0.371 1.00 0.00 O ATOM 394 CB ALA A 41 17.457 -7.766 0.846 1.00 0.00 C ATOM 0 H ALA A 41 16.038 -9.419 -1.205 1.00 0.00 H new ATOM 0 HA ALA A 41 18.519 -7.899 -0.979 1.00 0.00 H new ATOM 0 HB1 ALA A 41 18.363 -7.727 1.451 1.00 0.00 H new ATOM 0 HB2 ALA A 41 17.114 -6.752 0.639 1.00 0.00 H new ATOM 0 HB3 ALA A 41 16.682 -8.307 1.388 1.00 0.00 H new ATOM 400 N GLN A 42 19.552 -9.984 0.138 1.00 0.00 N ATOM 401 CA GLN A 42 20.225 -11.273 0.282 1.00 0.00 C ATOM 402 C GLN A 42 19.583 -12.123 1.373 1.00 0.00 C ATOM 403 O GLN A 42 19.623 -11.763 2.551 1.00 0.00 O ATOM 404 CB GLN A 42 21.705 -11.061 0.590 1.00 0.00 C ATOM 405 CG GLN A 42 22.437 -10.291 -0.493 1.00 0.00 C ATOM 406 CD GLN A 42 23.919 -10.156 -0.217 1.00 0.00 C ATOM 407 OE1 GLN A 42 24.351 -10.123 0.934 1.00 0.00 O ATOM 408 NE2 GLN A 42 24.705 -10.077 -1.274 1.00 0.00 N ATOM 0 H GLN A 42 20.146 -9.179 0.335 1.00 0.00 H new ATOM 0 HA GLN A 42 20.124 -11.808 -0.662 1.00 0.00 H new ATOM 0 HB2 GLN A 42 21.800 -10.525 1.535 1.00 0.00 H new ATOM 0 HB3 GLN A 42 22.184 -12.031 0.724 1.00 0.00 H new ATOM 0 HG2 GLN A 42 22.295 -10.794 -1.449 1.00 0.00 H new ATOM 0 HG3 GLN A 42 21.998 -9.298 -0.587 1.00 0.00 H new ATOM 0 HE21 GLN A 42 24.304 -10.108 -2.211 1.00 0.00 H new ATOM 0 HE22 GLN A 42 25.714 -9.985 -1.154 1.00 0.00 H new ATOM 417 N TYR A 43 18.978 -13.240 0.949 1.00 0.00 N ATOM 418 CA TYR A 43 18.321 -14.199 1.849 1.00 0.00 C ATOM 419 C TYR A 43 17.023 -13.629 2.427 1.00 0.00 C ATOM 420 O TYR A 43 16.225 -14.351 3.028 1.00 0.00 O ATOM 421 CB TYR A 43 19.276 -14.637 2.976 1.00 0.00 C ATOM 422 CG TYR A 43 18.687 -15.660 3.926 1.00 0.00 C ATOM 423 CD1 TYR A 43 18.386 -16.945 3.494 1.00 0.00 C ATOM 424 CD2 TYR A 43 18.431 -15.339 5.254 1.00 0.00 C ATOM 425 CE1 TYR A 43 17.845 -17.880 4.356 1.00 0.00 C ATOM 426 CE2 TYR A 43 17.892 -16.268 6.122 1.00 0.00 C ATOM 427 CZ TYR A 43 17.600 -17.537 5.668 1.00 0.00 C ATOM 428 OH TYR A 43 17.060 -18.467 6.531 1.00 0.00 O ATOM 0 H TYR A 43 18.930 -13.506 -0.034 1.00 0.00 H new ATOM 0 HA TYR A 43 18.061 -15.078 1.259 1.00 0.00 H new ATOM 0 HB2 TYR A 43 20.181 -15.050 2.530 1.00 0.00 H new ATOM 0 HB3 TYR A 43 19.575 -13.757 3.546 1.00 0.00 H new ATOM 0 HD1 TYR A 43 18.578 -17.218 2.467 1.00 0.00 H new ATOM 0 HD2 TYR A 43 18.658 -14.346 5.613 1.00 0.00 H new ATOM 0 HE1 TYR A 43 17.615 -18.875 4.003 1.00 0.00 H new ATOM 0 HE2 TYR A 43 17.700 -16.002 7.151 1.00 0.00 H new ATOM 0 HH TYR A 43 16.327 -18.057 7.037 1.00 0.00 H new ATOM 438 N CYS A 44 16.795 -12.343 2.219 1.00 0.00 N ATOM 439 CA CYS A 44 15.674 -11.663 2.842 1.00 0.00 C ATOM 440 C CYS A 44 15.128 -10.550 1.951 1.00 0.00 C ATOM 441 O CYS A 44 15.380 -9.377 2.202 1.00 0.00 O ATOM 442 CB CYS A 44 16.121 -11.079 4.178 1.00 0.00 C ATOM 443 SG CYS A 44 16.733 -12.310 5.350 1.00 0.00 S ATOM 0 H CYS A 44 17.372 -11.749 1.623 1.00 0.00 H new ATOM 0 HA CYS A 44 14.876 -12.389 2.996 1.00 0.00 H new ATOM 0 HB2 CYS A 44 16.905 -10.343 3.997 1.00 0.00 H new ATOM 0 HB3 CYS A 44 15.283 -10.548 4.629 1.00 0.00 H new ATOM 0 HG CYS A 44 15.727 -12.900 5.925 1.00 0.00 H new ATOM 449 N PRO A 45 14.388 -10.905 0.887 1.00 0.00 N ATOM 450 CA PRO A 45 13.758 -9.927 -0.008 1.00 0.00 C ATOM 451 C PRO A 45 12.696 -9.071 0.686 1.00 0.00 C ATOM 452 O PRO A 45 12.626 -9.027 1.914 1.00 0.00 O ATOM 453 CB PRO A 45 13.122 -10.793 -1.102 1.00 0.00 C ATOM 454 CG PRO A 45 13.836 -12.094 -1.011 1.00 0.00 C ATOM 455 CD PRO A 45 14.132 -12.278 0.448 1.00 0.00 C ATOM 0 HA PRO A 45 14.486 -9.207 -0.383 1.00 0.00 H new ATOM 0 HB2 PRO A 45 12.051 -10.916 -0.938 1.00 0.00 H new ATOM 0 HB3 PRO A 45 13.244 -10.341 -2.087 1.00 0.00 H new ATOM 0 HG2 PRO A 45 13.221 -12.908 -1.394 1.00 0.00 H new ATOM 0 HG3 PRO A 45 14.753 -12.082 -1.601 1.00 0.00 H new ATOM 0 HD2 PRO A 45 13.293 -12.726 0.980 1.00 0.00 H new ATOM 0 HD3 PRO A 45 14.994 -12.925 0.610 1.00 0.00 H new ATOM 463 N CYS A 46 11.846 -8.437 -0.130 1.00 0.00 N ATOM 464 CA CYS A 46 10.956 -7.356 0.313 1.00 0.00 C ATOM 465 C CYS A 46 11.785 -6.094 0.545 1.00 0.00 C ATOM 466 O CYS A 46 12.888 -6.173 1.070 1.00 0.00 O ATOM 467 CB CYS A 46 10.174 -7.730 1.581 1.00 0.00 C ATOM 468 SG CYS A 46 9.245 -9.280 1.451 1.00 0.00 S ATOM 0 H CYS A 46 11.755 -8.660 -1.121 1.00 0.00 H new ATOM 0 HA CYS A 46 10.217 -7.179 -0.468 1.00 0.00 H new ATOM 0 HB2 CYS A 46 10.872 -7.806 2.415 1.00 0.00 H new ATOM 0 HB3 CYS A 46 9.481 -6.923 1.818 1.00 0.00 H new ATOM 0 HG CYS A 46 8.623 -9.508 2.569 1.00 0.00 H new ATOM 474 N LEU A 47 11.303 -4.951 0.060 1.00 0.00 N ATOM 475 CA LEU A 47 11.959 -3.675 0.331 1.00 0.00 C ATOM 476 C LEU A 47 10.939 -2.557 0.466 1.00 0.00 C ATOM 477 O LEU A 47 10.364 -2.332 1.528 1.00 0.00 O ATOM 478 CB LEU A 47 12.927 -3.291 -0.791 1.00 0.00 C ATOM 479 CG LEU A 47 13.934 -4.344 -1.195 1.00 0.00 C ATOM 480 CD1 LEU A 47 14.471 -4.036 -2.578 1.00 0.00 C ATOM 481 CD2 LEU A 47 15.068 -4.425 -0.185 1.00 0.00 C ATOM 0 H LEU A 47 10.466 -4.883 -0.519 1.00 0.00 H new ATOM 0 HA LEU A 47 12.508 -3.802 1.264 1.00 0.00 H new ATOM 0 HB2 LEU A 47 12.342 -3.021 -1.670 1.00 0.00 H new ATOM 0 HB3 LEU A 47 13.471 -2.398 -0.483 1.00 0.00 H new ATOM 0 HG LEU A 47 13.437 -5.314 -1.216 1.00 0.00 H new ATOM 0 HD11 LEU A 47 15.196 -4.798 -2.865 1.00 0.00 H new ATOM 0 HD12 LEU A 47 13.649 -4.030 -3.294 1.00 0.00 H new ATOM 0 HD13 LEU A 47 14.954 -3.059 -2.571 1.00 0.00 H new ATOM 0 HD21 LEU A 47 15.780 -5.189 -0.497 1.00 0.00 H new ATOM 0 HD22 LEU A 47 15.573 -3.461 -0.127 1.00 0.00 H new ATOM 0 HD23 LEU A 47 14.665 -4.683 0.794 1.00 0.00 H new ATOM 493 N TYR A 48 10.679 -1.900 -0.651 1.00 0.00 N ATOM 494 CA TYR A 48 9.937 -0.653 -0.640 1.00 0.00 C ATOM 495 C TYR A 48 8.998 -0.551 -1.832 1.00 0.00 C ATOM 496 O TYR A 48 8.983 -1.419 -2.707 1.00 0.00 O ATOM 497 CB TYR A 48 10.920 0.530 -0.640 1.00 0.00 C ATOM 498 CG TYR A 48 11.864 0.567 -1.828 1.00 0.00 C ATOM 499 CD1 TYR A 48 11.491 1.174 -3.021 1.00 0.00 C ATOM 500 CD2 TYR A 48 13.128 -0.004 -1.755 1.00 0.00 C ATOM 501 CE1 TYR A 48 12.349 1.210 -4.104 1.00 0.00 C ATOM 502 CE2 TYR A 48 13.991 0.028 -2.833 1.00 0.00 C ATOM 503 CZ TYR A 48 13.597 0.636 -4.005 1.00 0.00 C ATOM 504 OH TYR A 48 14.453 0.665 -5.085 1.00 0.00 O ATOM 0 H TYR A 48 10.971 -2.210 -1.578 1.00 0.00 H new ATOM 0 HA TYR A 48 9.328 -0.627 0.264 1.00 0.00 H new ATOM 0 HB2 TYR A 48 10.350 1.459 -0.616 1.00 0.00 H new ATOM 0 HB3 TYR A 48 11.510 0.495 0.276 1.00 0.00 H new ATOM 0 HD1 TYR A 48 10.513 1.626 -3.103 1.00 0.00 H new ATOM 0 HD2 TYR A 48 13.442 -0.482 -0.839 1.00 0.00 H new ATOM 0 HE1 TYR A 48 12.042 1.686 -5.024 1.00 0.00 H new ATOM 0 HE2 TYR A 48 14.970 -0.421 -2.758 1.00 0.00 H new ATOM 0 HH TYR A 48 15.293 0.218 -4.849 1.00 0.00 H new ATOM 514 N ILE A 49 8.215 0.519 -1.855 1.00 0.00 N ATOM 515 CA ILE A 49 7.326 0.792 -2.969 1.00 0.00 C ATOM 516 C ILE A 49 8.122 1.412 -4.115 1.00 0.00 C ATOM 517 O ILE A 49 8.788 2.438 -3.954 1.00 0.00 O ATOM 518 CB ILE A 49 6.140 1.701 -2.547 1.00 0.00 C ATOM 519 CG1 ILE A 49 5.158 1.904 -3.704 1.00 0.00 C ATOM 520 CG2 ILE A 49 6.636 3.044 -2.043 1.00 0.00 C ATOM 521 CD1 ILE A 49 5.384 3.182 -4.490 1.00 0.00 C ATOM 0 H ILE A 49 8.180 1.214 -1.109 1.00 0.00 H new ATOM 0 HA ILE A 49 6.892 -0.149 -3.307 1.00 0.00 H new ATOM 0 HB ILE A 49 5.616 1.197 -1.735 1.00 0.00 H new ATOM 0 HG12 ILE A 49 5.232 1.054 -4.383 1.00 0.00 H new ATOM 0 HG13 ILE A 49 4.142 1.908 -3.308 1.00 0.00 H new ATOM 0 HG21 ILE A 49 5.785 3.661 -1.754 1.00 0.00 H new ATOM 0 HG22 ILE A 49 7.284 2.892 -1.180 1.00 0.00 H new ATOM 0 HG23 ILE A 49 7.196 3.545 -2.833 1.00 0.00 H new ATOM 0 HD11 ILE A 49 4.648 3.251 -5.291 1.00 0.00 H new ATOM 0 HD12 ILE A 49 5.280 4.040 -3.826 1.00 0.00 H new ATOM 0 HD13 ILE A 49 6.387 3.174 -4.918 1.00 0.00 H new ATOM 533 N VAL A 50 8.067 0.767 -5.263 1.00 0.00 N ATOM 534 CA VAL A 50 8.916 1.131 -6.381 1.00 0.00 C ATOM 535 C VAL A 50 8.161 1.980 -7.399 1.00 0.00 C ATOM 536 O VAL A 50 8.773 2.713 -8.179 1.00 0.00 O ATOM 537 CB VAL A 50 9.479 -0.130 -7.077 1.00 0.00 C ATOM 538 CG1 VAL A 50 10.552 0.238 -8.087 1.00 0.00 C ATOM 539 CG2 VAL A 50 10.025 -1.112 -6.052 1.00 0.00 C ATOM 0 H VAL A 50 7.440 -0.016 -5.447 1.00 0.00 H new ATOM 0 HA VAL A 50 9.742 1.719 -5.981 1.00 0.00 H new ATOM 0 HB VAL A 50 8.660 -0.611 -7.613 1.00 0.00 H new ATOM 0 HG11 VAL A 50 10.931 -0.667 -8.562 1.00 0.00 H new ATOM 0 HG12 VAL A 50 10.127 0.895 -8.846 1.00 0.00 H new ATOM 0 HG13 VAL A 50 11.369 0.751 -7.579 1.00 0.00 H new ATOM 0 HG21 VAL A 50 10.416 -1.992 -6.563 1.00 0.00 H new ATOM 0 HG22 VAL A 50 10.825 -0.637 -5.483 1.00 0.00 H new ATOM 0 HG23 VAL A 50 9.226 -1.412 -5.374 1.00 0.00 H new ATOM 549 N GLN A 51 6.833 1.918 -7.379 1.00 0.00 N ATOM 550 CA GLN A 51 6.053 2.577 -8.396 1.00 0.00 C ATOM 551 C GLN A 51 4.702 2.982 -7.844 1.00 0.00 C ATOM 552 O GLN A 51 4.034 2.200 -7.169 1.00 0.00 O ATOM 553 CB GLN A 51 5.885 1.663 -9.618 1.00 0.00 C ATOM 554 CG GLN A 51 4.505 1.735 -10.239 1.00 0.00 C ATOM 555 CD GLN A 51 4.322 0.784 -11.401 1.00 0.00 C ATOM 556 OE1 GLN A 51 5.264 0.482 -12.136 1.00 0.00 O ATOM 557 NE2 GLN A 51 3.104 0.301 -11.570 1.00 0.00 N ATOM 0 H GLN A 51 6.288 1.421 -6.674 1.00 0.00 H new ATOM 0 HA GLN A 51 6.581 3.477 -8.710 1.00 0.00 H new ATOM 0 HB2 GLN A 51 6.628 1.933 -10.369 1.00 0.00 H new ATOM 0 HB3 GLN A 51 6.089 0.634 -9.323 1.00 0.00 H new ATOM 0 HG2 GLN A 51 3.759 1.513 -9.476 1.00 0.00 H new ATOM 0 HG3 GLN A 51 4.320 2.754 -10.580 1.00 0.00 H new ATOM 0 HE21 GLN A 51 2.353 0.578 -10.938 1.00 0.00 H new ATOM 0 HE22 GLN A 51 2.914 -0.349 -12.333 1.00 0.00 H new ATOM 566 N VAL A 52 4.323 4.209 -8.112 1.00 0.00 N ATOM 567 CA VAL A 52 3.007 4.691 -7.773 1.00 0.00 C ATOM 568 C VAL A 52 2.468 5.470 -8.962 1.00 0.00 C ATOM 569 O VAL A 52 3.239 5.898 -9.823 1.00 0.00 O ATOM 570 CB VAL A 52 3.029 5.593 -6.519 1.00 0.00 C ATOM 571 CG1 VAL A 52 3.658 6.943 -6.822 1.00 0.00 C ATOM 572 CG2 VAL A 52 1.634 5.759 -5.948 1.00 0.00 C ATOM 0 H VAL A 52 4.918 4.900 -8.570 1.00 0.00 H new ATOM 0 HA VAL A 52 2.367 3.839 -7.543 1.00 0.00 H new ATOM 0 HB VAL A 52 3.646 5.102 -5.766 1.00 0.00 H new ATOM 0 HG11 VAL A 52 3.659 7.555 -5.920 1.00 0.00 H new ATOM 0 HG12 VAL A 52 4.683 6.798 -7.163 1.00 0.00 H new ATOM 0 HG13 VAL A 52 3.084 7.445 -7.601 1.00 0.00 H new ATOM 0 HG21 VAL A 52 1.676 6.398 -5.066 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.986 6.215 -6.697 1.00 0.00 H new ATOM 0 HG23 VAL A 52 1.236 4.783 -5.671 1.00 0.00 H new ATOM 582 N PHE A 53 1.168 5.643 -9.025 1.00 0.00 N ATOM 583 CA PHE A 53 0.568 6.384 -10.120 1.00 0.00 C ATOM 584 C PHE A 53 0.456 7.867 -9.751 1.00 0.00 C ATOM 585 O PHE A 53 1.404 8.427 -9.202 1.00 0.00 O ATOM 586 CB PHE A 53 -0.779 5.763 -10.504 1.00 0.00 C ATOM 587 CG PHE A 53 -0.635 4.408 -11.152 1.00 0.00 C ATOM 588 CD1 PHE A 53 -0.303 3.289 -10.403 1.00 0.00 C ATOM 589 CD2 PHE A 53 -0.823 4.260 -12.516 1.00 0.00 C ATOM 590 CE1 PHE A 53 -0.160 2.050 -11.002 1.00 0.00 C ATOM 591 CE2 PHE A 53 -0.685 3.024 -13.120 1.00 0.00 C ATOM 592 CZ PHE A 53 -0.353 1.919 -12.362 1.00 0.00 C ATOM 0 H PHE A 53 0.505 5.285 -8.337 1.00 0.00 H new ATOM 0 HA PHE A 53 1.206 6.322 -11.001 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.398 5.670 -9.612 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -1.302 6.433 -11.186 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -0.154 3.386 -9.338 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -1.081 5.121 -13.115 1.00 0.00 H new ATOM 0 HE1 PHE A 53 0.102 1.188 -10.407 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -0.837 2.923 -14.184 1.00 0.00 H new ATOM 0 HZ PHE A 53 -0.244 0.953 -12.833 1.00 0.00 H new ATOM 602 N ASP A 54 -0.657 8.521 -10.065 1.00 0.00 N ATOM 603 CA ASP A 54 -0.819 9.930 -9.700 1.00 0.00 C ATOM 604 C ASP A 54 -2.222 10.239 -9.195 1.00 0.00 C ATOM 605 O ASP A 54 -2.399 11.004 -8.249 1.00 0.00 O ATOM 606 CB ASP A 54 -0.500 10.802 -10.910 1.00 0.00 C ATOM 607 CG ASP A 54 -0.457 12.279 -10.577 1.00 0.00 C ATOM 608 OD1 ASP A 54 0.429 12.692 -9.799 1.00 0.00 O ATOM 609 OD2 ASP A 54 -1.311 13.036 -11.086 1.00 0.00 O ATOM 0 H ASP A 54 -1.448 8.111 -10.562 1.00 0.00 H new ATOM 0 HA ASP A 54 -0.129 10.145 -8.884 1.00 0.00 H new ATOM 0 HB2 ASP A 54 0.461 10.500 -11.326 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -1.249 10.631 -11.683 1.00 0.00 H new ATOM 614 N ASN A 55 -3.207 9.630 -9.820 1.00 0.00 N ATOM 615 CA ASN A 55 -4.600 9.893 -9.515 1.00 0.00 C ATOM 616 C ASN A 55 -5.157 8.785 -8.652 1.00 0.00 C ATOM 617 O ASN A 55 -6.347 8.756 -8.348 1.00 0.00 O ATOM 618 CB ASN A 55 -5.426 10.028 -10.794 1.00 0.00 C ATOM 619 CG ASN A 55 -5.049 11.259 -11.586 1.00 0.00 C ATOM 620 OD1 ASN A 55 -5.593 12.342 -11.371 1.00 0.00 O ATOM 621 ND2 ASN A 55 -4.116 11.106 -12.508 1.00 0.00 N ATOM 0 H ASN A 55 -3.066 8.937 -10.555 1.00 0.00 H new ATOM 0 HA ASN A 55 -4.659 10.836 -8.972 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -5.284 9.142 -11.412 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -6.485 10.072 -10.539 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -3.822 11.903 -13.073 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -3.690 10.191 -12.655 1.00 0.00 H new ATOM 628 N THR A 56 -4.294 7.857 -8.271 1.00 0.00 N ATOM 629 CA THR A 56 -4.691 6.797 -7.392 1.00 0.00 C ATOM 630 C THR A 56 -4.624 7.314 -5.979 1.00 0.00 C ATOM 631 O THR A 56 -3.781 8.162 -5.696 1.00 0.00 O ATOM 632 CB THR A 56 -3.773 5.575 -7.541 1.00 0.00 C ATOM 633 OG1 THR A 56 -2.426 5.918 -7.185 1.00 0.00 O ATOM 634 CG2 THR A 56 -3.797 5.067 -8.963 1.00 0.00 C ATOM 0 H THR A 56 -3.317 7.826 -8.563 1.00 0.00 H new ATOM 0 HA THR A 56 -5.703 6.481 -7.643 1.00 0.00 H new ATOM 0 HB THR A 56 -4.137 4.794 -6.874 1.00 0.00 H new ATOM 0 HG1 THR A 56 -2.073 5.251 -6.559 1.00 0.00 H new ATOM 0 HG21 THR A 56 -3.141 4.201 -9.051 1.00 0.00 H new ATOM 0 HG22 THR A 56 -4.814 4.780 -9.230 1.00 0.00 H new ATOM 0 HG23 THR A 56 -3.453 5.853 -9.636 1.00 0.00 H new ATOM 642 N PRO A 57 -5.500 6.867 -5.082 1.00 0.00 N ATOM 643 CA PRO A 57 -5.537 7.382 -3.716 1.00 0.00 C ATOM 644 C PRO A 57 -4.155 7.368 -3.086 1.00 0.00 C ATOM 645 O PRO A 57 -3.749 8.320 -2.418 1.00 0.00 O ATOM 646 CB PRO A 57 -6.475 6.414 -2.986 1.00 0.00 C ATOM 647 CG PRO A 57 -6.687 5.270 -3.925 1.00 0.00 C ATOM 648 CD PRO A 57 -6.508 5.831 -5.302 1.00 0.00 C ATOM 0 HA PRO A 57 -5.874 8.418 -3.670 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -6.035 6.074 -2.048 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -7.420 6.897 -2.738 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -5.972 4.470 -3.733 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -7.683 4.844 -3.803 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -6.168 5.075 -6.009 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -7.436 6.243 -5.698 1.00 0.00 H new ATOM 656 N ALA A 58 -3.432 6.291 -3.358 1.00 0.00 N ATOM 657 CA ALA A 58 -2.069 6.110 -2.889 1.00 0.00 C ATOM 658 C ALA A 58 -1.158 7.227 -3.360 1.00 0.00 C ATOM 659 O ALA A 58 -0.367 7.765 -2.588 1.00 0.00 O ATOM 660 CB ALA A 58 -1.531 4.799 -3.397 1.00 0.00 C ATOM 0 H ALA A 58 -3.780 5.512 -3.916 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.091 6.121 -1.799 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -0.508 4.664 -3.045 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -2.152 3.983 -3.028 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -1.542 4.799 -4.487 1.00 0.00 H new ATOM 666 N ALA A 59 -1.241 7.558 -4.640 1.00 0.00 N ATOM 667 CA ALA A 59 -0.412 8.613 -5.180 1.00 0.00 C ATOM 668 C ALA A 59 -0.928 9.971 -4.746 1.00 0.00 C ATOM 669 O ALA A 59 -0.224 10.741 -4.094 1.00 0.00 O ATOM 670 CB ALA A 59 -0.397 8.537 -6.687 1.00 0.00 C ATOM 0 H ALA A 59 -1.867 7.115 -5.313 1.00 0.00 H new ATOM 0 HA ALA A 59 0.601 8.483 -4.800 1.00 0.00 H new ATOM 0 HB1 ALA A 59 0.230 9.335 -7.085 1.00 0.00 H new ATOM 0 HB2 ALA A 59 0.003 7.572 -6.999 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -1.412 8.649 -7.067 1.00 0.00 H new ATOM 676 N LEU A 60 -2.175 10.233 -5.114 1.00 0.00 N ATOM 677 CA LEU A 60 -2.781 11.553 -4.950 1.00 0.00 C ATOM 678 C LEU A 60 -2.635 12.168 -3.546 1.00 0.00 C ATOM 679 O LEU A 60 -1.815 13.063 -3.345 1.00 0.00 O ATOM 680 CB LEU A 60 -4.232 11.521 -5.422 1.00 0.00 C ATOM 681 CG LEU A 60 -5.305 10.886 -4.566 1.00 0.00 C ATOM 682 CD1 LEU A 60 -5.979 11.977 -3.776 1.00 0.00 C ATOM 683 CD2 LEU A 60 -6.306 10.188 -5.455 1.00 0.00 C ATOM 0 H LEU A 60 -2.796 9.541 -5.534 1.00 0.00 H new ATOM 0 HA LEU A 60 -2.210 12.231 -5.584 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -4.534 12.553 -5.603 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -4.246 11.011 -6.385 1.00 0.00 H new ATOM 0 HG LEU A 60 -4.873 10.151 -3.887 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -6.759 11.544 -3.149 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.244 12.478 -3.146 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -6.423 12.700 -4.460 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -7.081 9.729 -4.841 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.760 10.913 -6.130 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -5.801 9.417 -6.037 1.00 0.00 H new ATOM 695 N ASP A 61 -3.407 11.700 -2.591 1.00 0.00 N ATOM 696 CA ASP A 61 -3.343 12.210 -1.224 1.00 0.00 C ATOM 697 C ASP A 61 -2.443 11.319 -0.426 1.00 0.00 C ATOM 698 O ASP A 61 -1.915 11.680 0.629 1.00 0.00 O ATOM 699 CB ASP A 61 -4.738 12.235 -0.601 1.00 0.00 C ATOM 700 CG ASP A 61 -4.749 12.799 0.807 1.00 0.00 C ATOM 701 OD1 ASP A 61 -4.542 14.020 0.966 1.00 0.00 O ATOM 702 OD2 ASP A 61 -4.978 12.024 1.763 1.00 0.00 O ATOM 0 H ASP A 61 -4.095 10.960 -2.730 1.00 0.00 H new ATOM 0 HA ASP A 61 -2.953 13.228 -1.229 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -5.400 12.830 -1.230 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -5.140 11.222 -0.584 1.00 0.00 H new ATOM 707 N GLY A 62 -2.275 10.147 -0.984 1.00 0.00 N ATOM 708 CA GLY A 62 -1.658 9.046 -0.260 1.00 0.00 C ATOM 709 C GLY A 62 -0.212 9.286 0.118 1.00 0.00 C ATOM 710 O GLY A 62 0.243 8.805 1.150 1.00 0.00 O ATOM 0 H GLY A 62 -2.555 9.923 -1.939 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -2.232 8.855 0.647 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -1.718 8.145 -0.871 1.00 0.00 H new ATOM 714 N THR A 63 0.490 10.025 -0.730 1.00 0.00 N ATOM 715 CA THR A 63 1.920 10.323 -0.584 1.00 0.00 C ATOM 716 C THR A 63 2.748 9.066 -0.282 1.00 0.00 C ATOM 717 O THR A 63 3.781 9.119 0.390 1.00 0.00 O ATOM 718 CB THR A 63 2.206 11.448 0.453 1.00 0.00 C ATOM 719 OG1 THR A 63 3.580 11.851 0.368 1.00 0.00 O ATOM 720 CG2 THR A 63 1.910 11.019 1.879 1.00 0.00 C ATOM 0 H THR A 63 0.076 10.447 -1.561 1.00 0.00 H new ATOM 0 HA THR A 63 2.239 10.703 -1.554 1.00 0.00 H new ATOM 0 HB THR A 63 1.543 12.278 0.208 1.00 0.00 H new ATOM 0 HG1 THR A 63 4.157 11.061 0.426 1.00 0.00 H new ATOM 0 HG21 THR A 63 2.127 11.842 2.559 1.00 0.00 H new ATOM 0 HG22 THR A 63 0.859 10.745 1.966 1.00 0.00 H new ATOM 0 HG23 THR A 63 2.531 10.161 2.137 1.00 0.00 H new ATOM 728 N VAL A 64 2.304 7.936 -0.816 1.00 0.00 N ATOM 729 CA VAL A 64 3.028 6.682 -0.670 1.00 0.00 C ATOM 730 C VAL A 64 3.712 6.350 -1.966 1.00 0.00 C ATOM 731 O VAL A 64 3.616 5.257 -2.524 1.00 0.00 O ATOM 732 CB VAL A 64 2.125 5.553 -0.183 1.00 0.00 C ATOM 733 CG1 VAL A 64 1.528 6.004 1.117 1.00 0.00 C ATOM 734 CG2 VAL A 64 1.025 5.194 -1.164 1.00 0.00 C ATOM 0 H VAL A 64 1.442 7.863 -1.356 1.00 0.00 H new ATOM 0 HA VAL A 64 3.788 6.801 0.102 1.00 0.00 H new ATOM 0 HB VAL A 64 2.723 4.648 -0.071 1.00 0.00 H new ATOM 0 HG11 VAL A 64 0.872 5.225 1.505 1.00 0.00 H new ATOM 0 HG12 VAL A 64 2.325 6.199 1.835 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.953 6.916 0.956 1.00 0.00 H new ATOM 0 HG21 VAL A 64 0.421 4.384 -0.754 1.00 0.00 H new ATOM 0 HG22 VAL A 64 0.394 6.065 -1.338 1.00 0.00 H new ATOM 0 HG23 VAL A 64 1.469 4.874 -2.107 1.00 0.00 H new ATOM 744 N ALA A 65 4.422 7.346 -2.413 1.00 0.00 N ATOM 745 CA ALA A 65 5.037 7.335 -3.720 1.00 0.00 C ATOM 746 C ALA A 65 6.367 6.603 -3.696 1.00 0.00 C ATOM 747 O ALA A 65 6.913 6.317 -2.629 1.00 0.00 O ATOM 748 CB ALA A 65 5.223 8.759 -4.223 1.00 0.00 C ATOM 0 H ALA A 65 4.595 8.198 -1.880 1.00 0.00 H new ATOM 0 HA ALA A 65 4.375 6.802 -4.402 1.00 0.00 H new ATOM 0 HB1 ALA A 65 5.687 8.739 -5.209 1.00 0.00 H new ATOM 0 HB2 ALA A 65 4.253 9.251 -4.289 1.00 0.00 H new ATOM 0 HB3 ALA A 65 5.862 9.308 -3.532 1.00 0.00 H new ATOM 754 N ALA A 66 6.868 6.305 -4.890 1.00 0.00 N ATOM 755 CA ALA A 66 8.073 5.506 -5.068 1.00 0.00 C ATOM 756 C ALA A 66 9.214 5.979 -4.175 1.00 0.00 C ATOM 757 O ALA A 66 9.662 7.122 -4.272 1.00 0.00 O ATOM 758 CB ALA A 66 8.488 5.538 -6.525 1.00 0.00 C ATOM 0 H ALA A 66 6.446 6.613 -5.766 1.00 0.00 H new ATOM 0 HA ALA A 66 7.846 4.482 -4.773 1.00 0.00 H new ATOM 0 HB1 ALA A 66 9.390 4.941 -6.660 1.00 0.00 H new ATOM 0 HB2 ALA A 66 7.687 5.129 -7.141 1.00 0.00 H new ATOM 0 HB3 ALA A 66 8.687 6.567 -6.824 1.00 0.00 H new ATOM 764 N GLY A 67 9.667 5.093 -3.302 1.00 0.00 N ATOM 765 CA GLY A 67 10.726 5.436 -2.380 1.00 0.00 C ATOM 766 C GLY A 67 10.402 5.033 -0.957 1.00 0.00 C ATOM 767 O GLY A 67 11.307 4.745 -0.168 1.00 0.00 O ATOM 0 H GLY A 67 9.318 4.139 -3.216 1.00 0.00 H new ATOM 0 HA2 GLY A 67 11.649 4.948 -2.692 1.00 0.00 H new ATOM 0 HA3 GLY A 67 10.905 6.510 -2.419 1.00 0.00 H new ATOM 771 N ASP A 68 9.114 4.993 -0.623 1.00 0.00 N ATOM 772 CA ASP A 68 8.694 4.649 0.734 1.00 0.00 C ATOM 773 C ASP A 68 8.877 3.167 0.973 1.00 0.00 C ATOM 774 O ASP A 68 8.669 2.359 0.074 1.00 0.00 O ATOM 775 CB ASP A 68 7.233 5.018 0.976 1.00 0.00 C ATOM 776 CG ASP A 68 7.037 6.452 1.441 1.00 0.00 C ATOM 777 OD1 ASP A 68 7.008 7.364 0.593 1.00 0.00 O ATOM 778 OD2 ASP A 68 6.896 6.672 2.665 1.00 0.00 O ATOM 0 H ASP A 68 8.349 5.193 -1.267 1.00 0.00 H new ATOM 0 HA ASP A 68 9.315 5.218 1.426 1.00 0.00 H new ATOM 0 HB2 ASP A 68 6.670 4.863 0.055 1.00 0.00 H new ATOM 0 HB3 ASP A 68 6.815 4.342 1.722 1.00 0.00 H new ATOM 783 N GLU A 69 9.251 2.806 2.179 1.00 0.00 N ATOM 784 CA GLU A 69 9.517 1.415 2.494 1.00 0.00 C ATOM 785 C GLU A 69 8.323 0.837 3.240 1.00 0.00 C ATOM 786 O GLU A 69 7.905 1.374 4.267 1.00 0.00 O ATOM 787 CB GLU A 69 10.809 1.311 3.301 1.00 0.00 C ATOM 788 CG GLU A 69 11.385 -0.088 3.396 1.00 0.00 C ATOM 789 CD GLU A 69 12.860 -0.060 3.728 1.00 0.00 C ATOM 790 OE1 GLU A 69 13.228 0.562 4.744 1.00 0.00 O ATOM 791 OE2 GLU A 69 13.666 -0.611 2.944 1.00 0.00 O ATOM 0 H GLU A 69 9.379 3.452 2.958 1.00 0.00 H new ATOM 0 HA GLU A 69 9.655 0.834 1.582 1.00 0.00 H new ATOM 0 HB2 GLU A 69 11.555 1.967 2.853 1.00 0.00 H new ATOM 0 HB3 GLU A 69 10.623 1.682 4.309 1.00 0.00 H new ATOM 0 HG2 GLU A 69 10.850 -0.652 4.160 1.00 0.00 H new ATOM 0 HG3 GLU A 69 11.234 -0.610 2.451 1.00 0.00 H new ATOM 798 N ILE A 70 7.753 -0.231 2.699 1.00 0.00 N ATOM 799 CA ILE A 70 6.486 -0.744 3.194 1.00 0.00 C ATOM 800 C ILE A 70 6.677 -2.054 3.939 1.00 0.00 C ATOM 801 O ILE A 70 6.820 -3.119 3.336 1.00 0.00 O ATOM 802 CB ILE A 70 5.479 -0.926 2.038 1.00 0.00 C ATOM 803 CG1 ILE A 70 5.516 0.330 1.163 1.00 0.00 C ATOM 804 CG2 ILE A 70 4.077 -1.182 2.584 1.00 0.00 C ATOM 805 CD1 ILE A 70 4.328 0.523 0.241 1.00 0.00 C ATOM 0 H ILE A 70 8.148 -0.757 1.919 1.00 0.00 H new ATOM 0 HA ILE A 70 6.083 -0.011 3.893 1.00 0.00 H new ATOM 0 HB ILE A 70 5.752 -1.793 1.436 1.00 0.00 H new ATOM 0 HG12 ILE A 70 5.594 1.201 1.813 1.00 0.00 H new ATOM 0 HG13 ILE A 70 6.422 0.302 0.558 1.00 0.00 H new ATOM 0 HG21 ILE A 70 3.381 -1.308 1.755 1.00 0.00 H new ATOM 0 HG22 ILE A 70 4.083 -2.086 3.193 1.00 0.00 H new ATOM 0 HG23 ILE A 70 3.764 -0.335 3.195 1.00 0.00 H new ATOM 0 HD11 ILE A 70 4.457 1.442 -0.331 1.00 0.00 H new ATOM 0 HD12 ILE A 70 4.256 -0.323 -0.442 1.00 0.00 H new ATOM 0 HD13 ILE A 70 3.415 0.590 0.833 1.00 0.00 H new ATOM 817 N THR A 71 6.672 -1.960 5.257 1.00 0.00 N ATOM 818 CA THR A 71 6.944 -3.102 6.110 1.00 0.00 C ATOM 819 C THR A 71 5.662 -3.837 6.514 1.00 0.00 C ATOM 820 O THR A 71 5.720 -4.975 6.987 1.00 0.00 O ATOM 821 CB THR A 71 7.733 -2.668 7.369 1.00 0.00 C ATOM 822 OG1 THR A 71 7.928 -3.781 8.252 1.00 0.00 O ATOM 823 CG2 THR A 71 7.019 -1.540 8.107 1.00 0.00 C ATOM 0 H THR A 71 6.480 -1.095 5.763 1.00 0.00 H new ATOM 0 HA THR A 71 7.553 -3.797 5.531 1.00 0.00 H new ATOM 0 HB THR A 71 8.705 -2.302 7.039 1.00 0.00 H new ATOM 0 HG1 THR A 71 7.205 -4.430 8.124 1.00 0.00 H new ATOM 0 HG21 THR A 71 7.598 -1.257 8.986 1.00 0.00 H new ATOM 0 HG22 THR A 71 6.919 -0.679 7.446 1.00 0.00 H new ATOM 0 HG23 THR A 71 6.030 -1.877 8.416 1.00 0.00 H new ATOM 831 N GLY A 72 4.503 -3.208 6.326 1.00 0.00 N ATOM 832 CA GLY A 72 3.264 -3.862 6.703 1.00 0.00 C ATOM 833 C GLY A 72 2.047 -3.335 5.973 1.00 0.00 C ATOM 834 O GLY A 72 1.972 -2.155 5.625 1.00 0.00 O ATOM 0 H GLY A 72 4.401 -2.275 5.927 1.00 0.00 H new ATOM 0 HA2 GLY A 72 3.356 -4.931 6.512 1.00 0.00 H new ATOM 0 HA3 GLY A 72 3.113 -3.742 7.776 1.00 0.00 H new ATOM 838 N VAL A 73 1.085 -4.225 5.761 1.00 0.00 N ATOM 839 CA VAL A 73 -0.153 -3.910 5.105 1.00 0.00 C ATOM 840 C VAL A 73 -1.292 -3.952 6.121 1.00 0.00 C ATOM 841 O VAL A 73 -1.491 -4.967 6.787 1.00 0.00 O ATOM 842 CB VAL A 73 -0.434 -4.924 3.966 1.00 0.00 C ATOM 843 CG1 VAL A 73 0.194 -6.281 4.262 1.00 0.00 C ATOM 844 CG2 VAL A 73 -1.919 -5.102 3.792 1.00 0.00 C ATOM 0 H VAL A 73 1.157 -5.201 6.050 1.00 0.00 H new ATOM 0 HA VAL A 73 -0.081 -2.911 4.675 1.00 0.00 H new ATOM 0 HB VAL A 73 0.008 -4.526 3.052 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -0.022 -6.968 3.444 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.273 -6.168 4.365 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -0.219 -6.679 5.189 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -2.108 -5.816 2.990 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -2.352 -5.476 4.720 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -2.373 -4.144 3.540 1.00 0.00 H new ATOM 854 N ASN A 74 -2.009 -2.843 6.264 1.00 0.00 N ATOM 855 CA ASN A 74 -3.188 -2.785 7.131 1.00 0.00 C ATOM 856 C ASN A 74 -2.889 -3.265 8.553 1.00 0.00 C ATOM 857 O ASN A 74 -3.769 -3.774 9.247 1.00 0.00 O ATOM 858 CB ASN A 74 -4.332 -3.603 6.526 1.00 0.00 C ATOM 859 CG ASN A 74 -5.178 -2.803 5.550 1.00 0.00 C ATOM 860 OD1 ASN A 74 -4.702 -1.867 4.906 1.00 0.00 O ATOM 861 ND2 ASN A 74 -6.444 -3.170 5.434 1.00 0.00 N ATOM 0 H ASN A 74 -1.796 -1.966 5.789 1.00 0.00 H new ATOM 0 HA ASN A 74 -3.486 -1.739 7.199 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -3.919 -4.472 6.014 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -4.968 -3.978 7.328 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -7.063 -2.672 4.794 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -6.801 -3.951 5.985 1.00 0.00 H new ATOM 868 N GLY A 75 -1.643 -3.102 8.980 1.00 0.00 N ATOM 869 CA GLY A 75 -1.271 -3.458 10.333 1.00 0.00 C ATOM 870 C GLY A 75 -0.536 -4.785 10.434 1.00 0.00 C ATOM 871 O GLY A 75 0.150 -5.032 11.426 1.00 0.00 O ATOM 0 H GLY A 75 -0.883 -2.729 8.411 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -0.640 -2.671 10.746 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -2.170 -3.502 10.948 1.00 0.00 H new ATOM 875 N ARG A 76 -0.665 -5.644 9.429 1.00 0.00 N ATOM 876 CA ARG A 76 0.023 -6.908 9.434 1.00 0.00 C ATOM 877 C ARG A 76 1.227 -6.865 8.499 1.00 0.00 C ATOM 878 O ARG A 76 1.139 -6.367 7.379 1.00 0.00 O ATOM 879 CB ARG A 76 -0.940 -8.015 9.029 1.00 0.00 C ATOM 880 CG ARG A 76 -1.677 -7.759 7.734 1.00 0.00 C ATOM 881 CD ARG A 76 -2.762 -8.796 7.496 1.00 0.00 C ATOM 882 NE ARG A 76 -3.800 -8.744 8.525 1.00 0.00 N ATOM 883 CZ ARG A 76 -4.717 -9.689 8.716 1.00 0.00 C ATOM 884 NH1 ARG A 76 -4.719 -10.787 7.971 1.00 0.00 N ATOM 885 NH2 ARG A 76 -5.627 -9.541 9.670 1.00 0.00 N ATOM 0 H ARG A 76 -1.242 -5.478 8.605 1.00 0.00 H new ATOM 0 HA ARG A 76 0.389 -7.112 10.440 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -0.384 -8.948 8.938 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -1.670 -8.155 9.827 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.122 -6.764 7.758 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -0.971 -7.772 6.904 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -3.213 -8.632 6.517 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -2.316 -9.791 7.479 1.00 0.00 H new ATOM 0 HE ARG A 76 -3.822 -7.929 9.137 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -4.014 -10.912 7.245 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -5.426 -11.506 8.125 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -5.622 -8.705 10.254 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -6.332 -10.263 9.819 1.00 0.00 H new ATOM 899 N SER A 77 2.356 -7.371 8.970 1.00 0.00 N ATOM 900 CA SER A 77 3.578 -7.376 8.179 1.00 0.00 C ATOM 901 C SER A 77 3.435 -8.299 6.971 1.00 0.00 C ATOM 902 O SER A 77 2.689 -9.278 7.010 1.00 0.00 O ATOM 903 CB SER A 77 4.754 -7.831 9.044 1.00 0.00 C ATOM 904 OG SER A 77 4.884 -7.028 10.206 1.00 0.00 O ATOM 0 H SER A 77 2.452 -7.784 9.898 1.00 0.00 H new ATOM 0 HA SER A 77 3.763 -6.363 7.821 1.00 0.00 H new ATOM 0 HB2 SER A 77 4.613 -8.872 9.334 1.00 0.00 H new ATOM 0 HB3 SER A 77 5.675 -7.784 8.463 1.00 0.00 H new ATOM 0 HG SER A 77 5.643 -7.345 10.739 1.00 0.00 H new ATOM 910 N ILE A 78 4.174 -7.994 5.906 1.00 0.00 N ATOM 911 CA ILE A 78 4.148 -8.807 4.694 1.00 0.00 C ATOM 912 C ILE A 78 5.191 -9.903 4.828 1.00 0.00 C ATOM 913 O ILE A 78 5.508 -10.629 3.888 1.00 0.00 O ATOM 914 CB ILE A 78 4.443 -7.996 3.408 1.00 0.00 C ATOM 915 CG1 ILE A 78 5.943 -7.667 3.267 1.00 0.00 C ATOM 916 CG2 ILE A 78 3.619 -6.724 3.397 1.00 0.00 C ATOM 917 CD1 ILE A 78 6.480 -6.681 4.286 1.00 0.00 C ATOM 0 H ILE A 78 4.798 -7.189 5.859 1.00 0.00 H new ATOM 0 HA ILE A 78 3.141 -9.211 4.595 1.00 0.00 H new ATOM 0 HB ILE A 78 4.165 -8.613 2.554 1.00 0.00 H new ATOM 0 HG12 ILE A 78 6.512 -8.593 3.345 1.00 0.00 H new ATOM 0 HG13 ILE A 78 6.120 -7.267 2.268 1.00 0.00 H new ATOM 0 HG21 ILE A 78 3.833 -6.160 2.489 1.00 0.00 H new ATOM 0 HG22 ILE A 78 2.559 -6.977 3.426 1.00 0.00 H new ATOM 0 HG23 ILE A 78 3.872 -6.119 4.268 1.00 0.00 H new ATOM 0 HD11 ILE A 78 7.542 -6.513 4.106 1.00 0.00 H new ATOM 0 HD12 ILE A 78 5.943 -5.737 4.196 1.00 0.00 H new ATOM 0 HD13 ILE A 78 6.341 -7.083 5.290 1.00 0.00 H new ATOM 929 N LYS A 79 5.766 -9.953 5.999 1.00 0.00 N ATOM 930 CA LYS A 79 6.711 -10.984 6.350 1.00 0.00 C ATOM 931 C LYS A 79 5.981 -12.293 6.642 1.00 0.00 C ATOM 932 O LYS A 79 5.474 -12.501 7.744 1.00 0.00 O ATOM 933 CB LYS A 79 7.541 -10.525 7.554 1.00 0.00 C ATOM 934 CG LYS A 79 8.435 -11.606 8.147 1.00 0.00 C ATOM 935 CD LYS A 79 9.238 -12.319 7.072 1.00 0.00 C ATOM 936 CE LYS A 79 10.016 -13.490 7.642 1.00 0.00 C ATOM 937 NZ LYS A 79 10.553 -14.359 6.566 1.00 0.00 N ATOM 0 H LYS A 79 5.593 -9.277 6.742 1.00 0.00 H new ATOM 0 HA LYS A 79 7.386 -11.163 5.513 1.00 0.00 H new ATOM 0 HB2 LYS A 79 8.162 -9.681 7.252 1.00 0.00 H new ATOM 0 HB3 LYS A 79 6.866 -10.163 8.329 1.00 0.00 H new ATOM 0 HG2 LYS A 79 9.114 -11.159 8.873 1.00 0.00 H new ATOM 0 HG3 LYS A 79 7.823 -12.330 8.686 1.00 0.00 H new ATOM 0 HD2 LYS A 79 8.566 -12.673 6.290 1.00 0.00 H new ATOM 0 HD3 LYS A 79 9.928 -11.616 6.605 1.00 0.00 H new ATOM 0 HE2 LYS A 79 10.837 -13.119 8.256 1.00 0.00 H new ATOM 0 HE3 LYS A 79 9.369 -14.075 8.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 11.302 -14.968 6.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 9.788 -14.951 6.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 10.946 -13.768 5.806 1.00 0.00 H new ATOM 951 N GLY A 80 5.905 -13.157 5.636 1.00 0.00 N ATOM 952 CA GLY A 80 5.339 -14.470 5.849 1.00 0.00 C ATOM 953 C GLY A 80 4.375 -14.917 4.766 1.00 0.00 C ATOM 954 O GLY A 80 4.269 -16.115 4.499 1.00 0.00 O ATOM 0 H GLY A 80 6.223 -12.971 4.685 1.00 0.00 H new ATOM 0 HA2 GLY A 80 6.150 -15.195 5.920 1.00 0.00 H new ATOM 0 HA3 GLY A 80 4.820 -14.478 6.807 1.00 0.00 H new ATOM 958 N LYS A 81 3.674 -13.982 4.129 1.00 0.00 N ATOM 959 CA LYS A 81 2.616 -14.350 3.188 1.00 0.00 C ATOM 960 C LYS A 81 3.145 -14.511 1.749 1.00 0.00 C ATOM 961 O LYS A 81 4.321 -14.795 1.524 1.00 0.00 O ATOM 962 CB LYS A 81 1.527 -13.269 3.237 1.00 0.00 C ATOM 963 CG LYS A 81 1.837 -12.030 2.405 1.00 0.00 C ATOM 964 CD LYS A 81 3.309 -11.647 2.457 1.00 0.00 C ATOM 965 CE LYS A 81 3.790 -10.934 1.199 1.00 0.00 C ATOM 966 NZ LYS A 81 5.270 -10.771 1.197 1.00 0.00 N ATOM 0 H LYS A 81 3.815 -12.978 4.243 1.00 0.00 H new ATOM 0 HA LYS A 81 2.210 -15.318 3.482 1.00 0.00 H new ATOM 0 HB2 LYS A 81 0.588 -13.700 2.890 1.00 0.00 H new ATOM 0 HB3 LYS A 81 1.376 -12.968 4.274 1.00 0.00 H new ATOM 0 HG2 LYS A 81 1.548 -12.210 1.370 1.00 0.00 H new ATOM 0 HG3 LYS A 81 1.235 -11.195 2.764 1.00 0.00 H new ATOM 0 HD2 LYS A 81 3.480 -11.003 3.319 1.00 0.00 H new ATOM 0 HD3 LYS A 81 3.906 -12.546 2.608 1.00 0.00 H new ATOM 0 HE2 LYS A 81 3.484 -11.500 0.319 1.00 0.00 H new ATOM 0 HE3 LYS A 81 3.315 -9.955 1.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 5.546 -10.112 0.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 5.579 -10.393 2.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 5.721 -11.694 1.034 1.00 0.00 H new ATOM 980 N THR A 82 2.258 -14.252 0.795 1.00 0.00 N ATOM 981 CA THR A 82 2.569 -14.274 -0.615 1.00 0.00 C ATOM 982 C THR A 82 1.991 -13.006 -1.244 1.00 0.00 C ATOM 983 O THR A 82 0.949 -12.537 -0.805 1.00 0.00 O ATOM 984 CB THR A 82 1.960 -15.520 -1.296 1.00 0.00 C ATOM 985 OG1 THR A 82 2.085 -16.651 -0.430 1.00 0.00 O ATOM 986 CG2 THR A 82 2.644 -15.823 -2.620 1.00 0.00 C ATOM 0 H THR A 82 1.285 -14.017 0.992 1.00 0.00 H new ATOM 0 HA THR A 82 3.650 -14.316 -0.751 1.00 0.00 H new ATOM 0 HB THR A 82 0.908 -15.313 -1.494 1.00 0.00 H new ATOM 0 HG1 THR A 82 1.237 -16.800 0.038 1.00 0.00 H new ATOM 0 HG21 THR A 82 2.190 -16.706 -3.071 1.00 0.00 H new ATOM 0 HG22 THR A 82 2.529 -14.973 -3.292 1.00 0.00 H new ATOM 0 HG23 THR A 82 3.704 -16.008 -2.448 1.00 0.00 H new ATOM 994 N LYS A 83 2.712 -12.408 -2.178 1.00 0.00 N ATOM 995 CA LYS A 83 2.270 -11.195 -2.891 1.00 0.00 C ATOM 996 C LYS A 83 0.783 -11.199 -3.187 1.00 0.00 C ATOM 997 O LYS A 83 0.057 -10.267 -2.841 1.00 0.00 O ATOM 998 CB LYS A 83 2.995 -11.081 -4.224 1.00 0.00 C ATOM 999 CG LYS A 83 4.412 -11.576 -4.172 1.00 0.00 C ATOM 1000 CD LYS A 83 5.318 -10.761 -5.076 1.00 0.00 C ATOM 1001 CE LYS A 83 4.931 -10.905 -6.540 1.00 0.00 C ATOM 1002 NZ LYS A 83 5.352 -12.213 -7.096 1.00 0.00 N ATOM 0 H LYS A 83 3.629 -12.744 -2.473 1.00 0.00 H new ATOM 0 HA LYS A 83 2.499 -10.356 -2.234 1.00 0.00 H new ATOM 0 HB2 LYS A 83 2.447 -11.647 -4.978 1.00 0.00 H new ATOM 0 HB3 LYS A 83 2.993 -10.039 -4.543 1.00 0.00 H new ATOM 0 HG2 LYS A 83 4.779 -11.526 -3.147 1.00 0.00 H new ATOM 0 HG3 LYS A 83 4.444 -12.624 -4.471 1.00 0.00 H new ATOM 0 HD2 LYS A 83 5.269 -9.711 -4.789 1.00 0.00 H new ATOM 0 HD3 LYS A 83 6.351 -11.081 -4.940 1.00 0.00 H new ATOM 0 HE2 LYS A 83 3.851 -10.797 -6.643 1.00 0.00 H new ATOM 0 HE3 LYS A 83 5.388 -10.101 -7.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 5.070 -12.272 -8.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 6.385 -12.306 -7.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 4.896 -12.980 -6.562 1.00 0.00 H new ATOM 1016 N VAL A 84 0.354 -12.256 -3.840 1.00 0.00 N ATOM 1017 CA VAL A 84 -1.030 -12.429 -4.215 1.00 0.00 C ATOM 1018 C VAL A 84 -1.974 -12.240 -3.019 1.00 0.00 C ATOM 1019 O VAL A 84 -3.092 -11.747 -3.164 1.00 0.00 O ATOM 1020 CB VAL A 84 -1.218 -13.821 -4.844 1.00 0.00 C ATOM 1021 CG1 VAL A 84 -0.683 -14.909 -3.930 1.00 0.00 C ATOM 1022 CG2 VAL A 84 -2.666 -14.061 -5.155 1.00 0.00 C ATOM 0 H VAL A 84 0.960 -13.024 -4.127 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.287 -11.662 -4.946 1.00 0.00 H new ATOM 0 HB VAL A 84 -0.650 -13.853 -5.774 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -0.829 -15.882 -4.399 1.00 0.00 H new ATOM 0 HG12 VAL A 84 0.380 -14.746 -3.754 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.216 -14.881 -2.980 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -2.784 -15.049 -5.599 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.250 -14.004 -4.236 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -3.018 -13.304 -5.856 1.00 0.00 H new ATOM 1032 N GLU A 85 -1.494 -12.597 -1.837 1.00 0.00 N ATOM 1033 CA GLU A 85 -2.276 -12.502 -0.623 1.00 0.00 C ATOM 1034 C GLU A 85 -2.287 -11.084 -0.065 1.00 0.00 C ATOM 1035 O GLU A 85 -3.286 -10.657 0.489 1.00 0.00 O ATOM 1036 CB GLU A 85 -1.722 -13.455 0.427 1.00 0.00 C ATOM 1037 CG GLU A 85 -1.631 -14.888 -0.057 1.00 0.00 C ATOM 1038 CD GLU A 85 -1.215 -15.847 1.035 1.00 0.00 C ATOM 1039 OE1 GLU A 85 -2.068 -16.207 1.869 1.00 0.00 O ATOM 1040 OE2 GLU A 85 -0.033 -16.242 1.067 1.00 0.00 O ATOM 0 H GLU A 85 -0.551 -12.960 -1.697 1.00 0.00 H new ATOM 0 HA GLU A 85 -3.302 -12.775 -0.871 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -0.731 -13.117 0.729 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -2.355 -13.417 1.313 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -2.598 -15.195 -0.455 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -0.916 -14.945 -0.877 1.00 0.00 H new ATOM 1047 N VAL A 86 -1.182 -10.359 -0.206 1.00 0.00 N ATOM 1048 CA VAL A 86 -1.099 -9.003 0.346 1.00 0.00 C ATOM 1049 C VAL A 86 -1.920 -8.011 -0.464 1.00 0.00 C ATOM 1050 O VAL A 86 -2.615 -7.168 0.102 1.00 0.00 O ATOM 1051 CB VAL A 86 0.349 -8.490 0.495 1.00 0.00 C ATOM 1052 CG1 VAL A 86 1.066 -9.278 1.545 1.00 0.00 C ATOM 1053 CG2 VAL A 86 1.144 -8.597 -0.779 1.00 0.00 C ATOM 0 H VAL A 86 -0.342 -10.677 -0.689 1.00 0.00 H new ATOM 0 HA VAL A 86 -1.521 -9.077 1.348 1.00 0.00 H new ATOM 0 HB VAL A 86 0.271 -7.438 0.767 1.00 0.00 H new ATOM 0 HG11 VAL A 86 2.087 -8.909 1.643 1.00 0.00 H new ATOM 0 HG12 VAL A 86 0.548 -9.170 2.498 1.00 0.00 H new ATOM 0 HG13 VAL A 86 1.086 -10.330 1.260 1.00 0.00 H new ATOM 0 HG21 VAL A 86 2.153 -8.221 -0.611 1.00 0.00 H new ATOM 0 HG22 VAL A 86 1.193 -9.640 -1.091 1.00 0.00 H new ATOM 0 HG23 VAL A 86 0.662 -8.007 -1.559 1.00 0.00 H new ATOM 1063 N ALA A 87 -1.843 -8.109 -1.784 1.00 0.00 N ATOM 1064 CA ALA A 87 -2.733 -7.338 -2.641 1.00 0.00 C ATOM 1065 C ALA A 87 -4.172 -7.751 -2.358 1.00 0.00 C ATOM 1066 O ALA A 87 -5.081 -6.924 -2.382 1.00 0.00 O ATOM 1067 CB ALA A 87 -2.387 -7.527 -4.109 1.00 0.00 C ATOM 0 H ALA A 87 -1.182 -8.707 -2.280 1.00 0.00 H new ATOM 0 HA ALA A 87 -2.612 -6.277 -2.421 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -3.069 -6.939 -4.722 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -1.363 -7.197 -4.287 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -2.480 -8.581 -4.372 1.00 0.00 H new ATOM 1073 N LYS A 88 -4.364 -9.038 -2.052 1.00 0.00 N ATOM 1074 CA LYS A 88 -5.674 -9.547 -1.662 1.00 0.00 C ATOM 1075 C LYS A 88 -6.136 -8.905 -0.363 1.00 0.00 C ATOM 1076 O LYS A 88 -7.269 -8.465 -0.267 1.00 0.00 O ATOM 1077 CB LYS A 88 -5.658 -11.059 -1.486 1.00 0.00 C ATOM 1078 CG LYS A 88 -7.013 -11.603 -1.090 1.00 0.00 C ATOM 1079 CD LYS A 88 -7.102 -13.099 -1.259 1.00 0.00 C ATOM 1080 CE LYS A 88 -6.127 -13.806 -0.351 1.00 0.00 C ATOM 1081 NZ LYS A 88 -6.201 -15.281 -0.497 1.00 0.00 N ATOM 0 H LYS A 88 -3.627 -9.743 -2.068 1.00 0.00 H new ATOM 0 HA LYS A 88 -6.366 -9.293 -2.465 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -5.338 -11.528 -2.416 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -4.925 -11.327 -0.725 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -7.216 -11.344 -0.051 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -7.784 -11.125 -1.694 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -8.116 -13.433 -1.040 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -6.896 -13.364 -2.296 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -5.114 -13.470 -0.574 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -6.332 -13.533 0.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -5.515 -15.728 0.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -7.160 -15.606 -0.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -5.980 -15.544 -1.479 1.00 0.00 H new ATOM 1095 N MET A 89 -5.255 -8.886 0.633 1.00 0.00 N ATOM 1096 CA MET A 89 -5.517 -8.220 1.912 1.00 0.00 C ATOM 1097 C MET A 89 -6.120 -6.845 1.676 1.00 0.00 C ATOM 1098 O MET A 89 -7.130 -6.475 2.279 1.00 0.00 O ATOM 1099 CB MET A 89 -4.217 -8.087 2.708 1.00 0.00 C ATOM 1100 CG MET A 89 -3.636 -9.415 3.151 1.00 0.00 C ATOM 1101 SD MET A 89 -2.011 -9.247 3.914 1.00 0.00 S ATOM 1102 CE MET A 89 -1.647 -10.954 4.316 1.00 0.00 C ATOM 0 H MET A 89 -4.339 -9.331 0.580 1.00 0.00 H new ATOM 0 HA MET A 89 -6.225 -8.822 2.481 1.00 0.00 H new ATOM 0 HB2 MET A 89 -3.480 -7.563 2.099 1.00 0.00 H new ATOM 0 HB3 MET A 89 -4.401 -7.469 3.587 1.00 0.00 H new ATOM 0 HG2 MET A 89 -4.318 -9.887 3.859 1.00 0.00 H new ATOM 0 HG3 MET A 89 -3.561 -10.079 2.290 1.00 0.00 H new ATOM 0 HE1 MET A 89 -0.670 -11.014 4.796 1.00 0.00 H new ATOM 0 HE2 MET A 89 -2.409 -11.339 4.994 1.00 0.00 H new ATOM 0 HE3 MET A 89 -1.640 -11.549 3.403 1.00 0.00 H new ATOM 1112 N ILE A 90 -5.504 -6.113 0.765 1.00 0.00 N ATOM 1113 CA ILE A 90 -5.988 -4.808 0.362 1.00 0.00 C ATOM 1114 C ILE A 90 -7.366 -4.915 -0.304 1.00 0.00 C ATOM 1115 O ILE A 90 -8.321 -4.274 0.131 1.00 0.00 O ATOM 1116 CB ILE A 90 -4.970 -4.137 -0.590 1.00 0.00 C ATOM 1117 CG1 ILE A 90 -3.672 -3.823 0.164 1.00 0.00 C ATOM 1118 CG2 ILE A 90 -5.536 -2.877 -1.225 1.00 0.00 C ATOM 1119 CD1 ILE A 90 -3.847 -2.851 1.315 1.00 0.00 C ATOM 0 H ILE A 90 -4.654 -6.408 0.285 1.00 0.00 H new ATOM 0 HA ILE A 90 -6.096 -4.189 1.252 1.00 0.00 H new ATOM 0 HB ILE A 90 -4.755 -4.838 -1.396 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -3.253 -4.753 0.548 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -2.946 -3.412 -0.538 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -4.790 -2.436 -1.886 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -6.427 -3.128 -1.800 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -5.797 -2.162 -0.445 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -2.884 -2.681 1.797 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -4.236 -1.906 0.937 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -4.547 -3.267 2.040 1.00 0.00 H new ATOM 1131 N GLN A 91 -7.478 -5.748 -1.335 1.00 0.00 N ATOM 1132 CA GLN A 91 -8.723 -5.886 -2.088 1.00 0.00 C ATOM 1133 C GLN A 91 -9.874 -6.385 -1.210 1.00 0.00 C ATOM 1134 O GLN A 91 -11.017 -5.956 -1.374 1.00 0.00 O ATOM 1135 CB GLN A 91 -8.525 -6.851 -3.259 1.00 0.00 C ATOM 1136 CG GLN A 91 -7.393 -6.474 -4.207 1.00 0.00 C ATOM 1137 CD GLN A 91 -7.626 -5.164 -4.928 1.00 0.00 C ATOM 1138 OE1 GLN A 91 -8.282 -4.268 -4.412 1.00 0.00 O ATOM 1139 NE2 GLN A 91 -7.078 -5.042 -6.126 1.00 0.00 N ATOM 0 H GLN A 91 -6.718 -6.341 -1.670 1.00 0.00 H new ATOM 0 HA GLN A 91 -8.987 -4.896 -2.459 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -8.333 -7.848 -2.863 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -9.454 -6.908 -3.827 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -6.463 -6.410 -3.643 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -7.265 -7.268 -4.943 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -6.538 -5.812 -6.521 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -7.195 -4.178 -6.655 1.00 0.00 H new ATOM 1148 N GLU A 92 -9.550 -7.261 -0.268 1.00 0.00 N ATOM 1149 CA GLU A 92 -10.541 -7.959 0.543 1.00 0.00 C ATOM 1150 C GLU A 92 -11.285 -7.009 1.465 1.00 0.00 C ATOM 1151 O GLU A 92 -12.517 -6.962 1.459 1.00 0.00 O ATOM 1152 CB GLU A 92 -9.857 -9.049 1.367 1.00 0.00 C ATOM 1153 CG GLU A 92 -10.794 -9.785 2.306 1.00 0.00 C ATOM 1154 CD GLU A 92 -10.148 -11.003 2.929 1.00 0.00 C ATOM 1155 OE1 GLU A 92 -9.898 -11.986 2.199 1.00 0.00 O ATOM 1156 OE2 GLU A 92 -9.887 -10.989 4.153 1.00 0.00 O ATOM 0 H GLU A 92 -8.587 -7.509 -0.043 1.00 0.00 H new ATOM 0 HA GLU A 92 -11.270 -8.406 -0.133 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -9.397 -9.769 0.690 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -9.052 -8.600 1.950 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -11.120 -9.107 3.095 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -11.686 -10.090 1.759 1.00 0.00 H new ATOM 1163 N VAL A 93 -10.530 -6.273 2.269 1.00 0.00 N ATOM 1164 CA VAL A 93 -11.112 -5.311 3.200 1.00 0.00 C ATOM 1165 C VAL A 93 -12.024 -4.336 2.463 1.00 0.00 C ATOM 1166 O VAL A 93 -13.108 -4.020 2.951 1.00 0.00 O ATOM 1167 CB VAL A 93 -10.025 -4.524 3.979 1.00 0.00 C ATOM 1168 CG1 VAL A 93 -9.078 -5.487 4.674 1.00 0.00 C ATOM 1169 CG2 VAL A 93 -9.249 -3.569 3.075 1.00 0.00 C ATOM 0 H VAL A 93 -9.512 -6.323 2.297 1.00 0.00 H new ATOM 0 HA VAL A 93 -11.697 -5.880 3.923 1.00 0.00 H new ATOM 0 HB VAL A 93 -10.533 -3.917 4.728 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -8.320 -4.923 5.217 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -9.639 -6.108 5.373 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -8.595 -6.122 3.931 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -8.499 -3.040 3.663 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -8.757 -4.136 2.285 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -9.936 -2.849 2.631 1.00 0.00 H new ATOM 1179 N LYS A 94 -11.574 -3.919 1.270 1.00 0.00 N ATOM 1180 CA LYS A 94 -12.258 -2.954 0.395 1.00 0.00 C ATOM 1181 C LYS A 94 -12.722 -1.684 1.121 1.00 0.00 C ATOM 1182 O LYS A 94 -12.786 -1.608 2.347 1.00 0.00 O ATOM 1183 CB LYS A 94 -13.418 -3.601 -0.386 1.00 0.00 C ATOM 1184 CG LYS A 94 -14.596 -4.060 0.456 1.00 0.00 C ATOM 1185 CD LYS A 94 -15.663 -4.714 -0.404 1.00 0.00 C ATOM 1186 CE LYS A 94 -16.796 -5.266 0.439 1.00 0.00 C ATOM 1187 NZ LYS A 94 -17.849 -5.900 -0.395 1.00 0.00 N ATOM 0 H LYS A 94 -10.696 -4.255 0.875 1.00 0.00 H new ATOM 0 HA LYS A 94 -11.502 -2.636 -0.323 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -13.779 -2.886 -1.125 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -13.030 -4.459 -0.935 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -14.253 -4.765 1.213 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -15.023 -3.208 0.984 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -16.057 -3.986 -1.113 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -15.218 -5.519 -0.989 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -16.401 -5.998 1.143 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -17.235 -4.461 1.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -18.605 -6.265 0.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -18.244 -5.195 -1.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -17.436 -6.685 -0.939 1.00 0.00 H new ATOM 1201 N GLY A 95 -12.987 -0.655 0.341 1.00 0.00 N ATOM 1202 CA GLY A 95 -13.502 0.579 0.893 1.00 0.00 C ATOM 1203 C GLY A 95 -12.398 1.532 1.292 1.00 0.00 C ATOM 1204 O GLY A 95 -12.438 2.713 0.957 1.00 0.00 O ATOM 0 H GLY A 95 -12.855 -0.649 -0.670 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -14.148 1.061 0.159 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -14.119 0.356 1.763 1.00 0.00 H new ATOM 1208 N GLU A 96 -11.393 1.013 1.978 1.00 0.00 N ATOM 1209 CA GLU A 96 -10.325 1.832 2.488 1.00 0.00 C ATOM 1210 C GLU A 96 -9.023 1.060 2.470 1.00 0.00 C ATOM 1211 O GLU A 96 -8.983 -0.113 2.090 1.00 0.00 O ATOM 1212 CB GLU A 96 -10.627 2.278 3.912 1.00 0.00 C ATOM 1213 CG GLU A 96 -10.604 1.130 4.896 1.00 0.00 C ATOM 1214 CD GLU A 96 -10.737 1.582 6.334 1.00 0.00 C ATOM 1215 OE1 GLU A 96 -11.859 1.934 6.750 1.00 0.00 O ATOM 1216 OE2 GLU A 96 -9.716 1.604 7.055 1.00 0.00 O ATOM 0 H GLU A 96 -11.302 0.020 2.192 1.00 0.00 H new ATOM 0 HA GLU A 96 -10.235 2.712 1.851 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -9.897 3.028 4.217 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -11.606 2.756 3.940 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -11.415 0.441 4.661 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -9.672 0.577 4.779 1.00 0.00 H new ATOM 1223 N VAL A 97 -7.975 1.733 2.887 1.00 0.00 N ATOM 1224 CA VAL A 97 -6.632 1.165 2.933 1.00 0.00 C ATOM 1225 C VAL A 97 -5.861 1.769 4.107 1.00 0.00 C ATOM 1226 O VAL A 97 -6.130 2.905 4.507 1.00 0.00 O ATOM 1227 CB VAL A 97 -5.833 1.440 1.629 1.00 0.00 C ATOM 1228 CG1 VAL A 97 -6.645 1.097 0.389 1.00 0.00 C ATOM 1229 CG2 VAL A 97 -5.378 2.888 1.564 1.00 0.00 C ATOM 0 H VAL A 97 -8.023 2.700 3.208 1.00 0.00 H new ATOM 0 HA VAL A 97 -6.742 0.087 3.048 1.00 0.00 H new ATOM 0 HB VAL A 97 -4.955 0.794 1.651 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -6.052 1.303 -0.502 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -6.913 0.041 0.410 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -7.552 1.701 0.369 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -4.821 3.053 0.642 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -6.248 3.544 1.585 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -4.738 3.107 2.418 1.00 0.00 H new ATOM 1239 N THR A 98 -4.921 1.019 4.665 1.00 0.00 N ATOM 1240 CA THR A 98 -4.052 1.547 5.704 1.00 0.00 C ATOM 1241 C THR A 98 -2.620 1.042 5.516 1.00 0.00 C ATOM 1242 O THR A 98 -2.310 -0.116 5.792 1.00 0.00 O ATOM 1243 CB THR A 98 -4.560 1.173 7.111 1.00 0.00 C ATOM 1244 OG1 THR A 98 -5.955 1.482 7.223 1.00 0.00 O ATOM 1245 CG2 THR A 98 -3.789 1.934 8.178 1.00 0.00 C ATOM 0 H THR A 98 -4.742 0.046 4.416 1.00 0.00 H new ATOM 0 HA THR A 98 -4.062 2.633 5.617 1.00 0.00 H new ATOM 0 HB THR A 98 -4.407 0.104 7.259 1.00 0.00 H new ATOM 0 HG1 THR A 98 -6.273 1.241 8.118 1.00 0.00 H new ATOM 0 HG21 THR A 98 -4.162 1.657 9.164 1.00 0.00 H new ATOM 0 HG22 THR A 98 -2.730 1.686 8.108 1.00 0.00 H new ATOM 0 HG23 THR A 98 -3.922 3.005 8.028 1.00 0.00 H new ATOM 1253 N ILE A 99 -1.754 1.921 5.045 1.00 0.00 N ATOM 1254 CA ILE A 99 -0.373 1.562 4.745 1.00 0.00 C ATOM 1255 C ILE A 99 0.535 1.828 5.941 1.00 0.00 C ATOM 1256 O ILE A 99 0.276 2.735 6.729 1.00 0.00 O ATOM 1257 CB ILE A 99 0.187 2.341 3.531 1.00 0.00 C ATOM 1258 CG1 ILE A 99 -0.464 3.726 3.389 1.00 0.00 C ATOM 1259 CG2 ILE A 99 0.049 1.549 2.245 1.00 0.00 C ATOM 1260 CD1 ILE A 99 -1.801 3.723 2.669 1.00 0.00 C ATOM 0 H ILE A 99 -1.982 2.898 4.860 1.00 0.00 H new ATOM 0 HA ILE A 99 -0.385 0.498 4.508 1.00 0.00 H new ATOM 0 HB ILE A 99 1.250 2.492 3.720 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -0.602 4.152 4.383 1.00 0.00 H new ATOM 0 HG13 ILE A 99 0.221 4.382 2.853 1.00 0.00 H new ATOM 0 HG21 ILE A 99 0.453 2.129 1.415 1.00 0.00 H new ATOM 0 HG22 ILE A 99 0.598 0.612 2.334 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -1.004 1.336 2.060 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -2.187 4.741 2.614 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -1.670 3.330 1.661 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -2.507 3.096 3.214 1.00 0.00 H new ATOM 1272 N HIS A 100 1.595 1.033 6.070 1.00 0.00 N ATOM 1273 CA HIS A 100 2.568 1.216 7.145 1.00 0.00 C ATOM 1274 C HIS A 100 3.985 1.287 6.586 1.00 0.00 C ATOM 1275 O HIS A 100 4.402 0.422 5.813 1.00 0.00 O ATOM 1276 CB HIS A 100 2.474 0.088 8.173 1.00 0.00 C ATOM 1277 CG HIS A 100 1.329 0.243 9.121 1.00 0.00 C ATOM 1278 ND1 HIS A 100 1.435 0.906 10.322 1.00 0.00 N ATOM 1279 CD2 HIS A 100 0.047 -0.182 9.040 1.00 0.00 C ATOM 1280 CE1 HIS A 100 0.271 0.883 10.939 1.00 0.00 C ATOM 1281 NE2 HIS A 100 -0.591 0.230 10.183 1.00 0.00 N ATOM 0 H HIS A 100 1.802 0.255 5.443 1.00 0.00 H new ATOM 0 HA HIS A 100 2.335 2.158 7.641 1.00 0.00 H new ATOM 0 HB2 HIS A 100 2.377 -0.863 7.650 1.00 0.00 H new ATOM 0 HB3 HIS A 100 3.403 0.046 8.741 1.00 0.00 H new ATOM 0 HD2 HIS A 100 -0.392 -0.741 8.227 1.00 0.00 H new ATOM 0 HE1 HIS A 100 0.058 1.324 11.901 1.00 0.00 H new ATOM 0 HE2 HIS A 100 -1.571 0.059 10.411 1.00 0.00 H new ATOM 1290 N TYR A 101 4.714 2.319 6.986 1.00 0.00 N ATOM 1291 CA TYR A 101 6.027 2.598 6.417 1.00 0.00 C ATOM 1292 C TYR A 101 7.143 2.664 7.442 1.00 0.00 C ATOM 1293 O TYR A 101 6.930 2.969 8.618 1.00 0.00 O ATOM 1294 CB TYR A 101 5.983 3.910 5.644 1.00 0.00 C ATOM 1295 CG TYR A 101 5.085 3.803 4.462 1.00 0.00 C ATOM 1296 CD1 TYR A 101 5.572 3.346 3.258 1.00 0.00 C ATOM 1297 CD2 TYR A 101 3.739 4.093 4.566 1.00 0.00 C ATOM 1298 CE1 TYR A 101 4.738 3.166 2.185 1.00 0.00 C ATOM 1299 CE2 TYR A 101 2.905 3.933 3.494 1.00 0.00 C ATOM 1300 CZ TYR A 101 3.410 3.459 2.306 1.00 0.00 C ATOM 1301 OH TYR A 101 2.574 3.225 1.248 1.00 0.00 O ATOM 0 H TYR A 101 4.418 2.980 7.705 1.00 0.00 H new ATOM 0 HA TYR A 101 6.255 1.759 5.760 1.00 0.00 H new ATOM 0 HB2 TYR A 101 5.636 4.710 6.298 1.00 0.00 H new ATOM 0 HB3 TYR A 101 6.988 4.178 5.318 1.00 0.00 H new ATOM 0 HD1 TYR A 101 6.625 3.126 3.158 1.00 0.00 H new ATOM 0 HD2 TYR A 101 3.340 4.450 5.504 1.00 0.00 H new ATOM 0 HE1 TYR A 101 5.129 2.795 1.249 1.00 0.00 H new ATOM 0 HE2 TYR A 101 1.857 4.177 3.580 1.00 0.00 H new ATOM 0 HH TYR A 101 3.089 2.860 0.499 1.00 0.00 H new ATOM 1311 N ASN A 102 8.335 2.366 6.954 1.00 0.00 N ATOM 1312 CA ASN A 102 9.563 2.535 7.687 1.00 0.00 C ATOM 1313 C ASN A 102 10.603 3.200 6.780 1.00 0.00 C ATOM 1314 O ASN A 102 10.455 3.198 5.551 1.00 0.00 O ATOM 1315 CB ASN A 102 10.082 1.183 8.192 1.00 0.00 C ATOM 1316 CG ASN A 102 10.182 0.110 7.114 1.00 0.00 C ATOM 1317 OD1 ASN A 102 9.355 0.027 6.212 1.00 0.00 O ATOM 1318 ND2 ASN A 102 11.207 -0.721 7.200 1.00 0.00 N ATOM 0 H ASN A 102 8.471 1.992 6.015 1.00 0.00 H new ATOM 0 HA ASN A 102 9.378 3.169 8.554 1.00 0.00 H new ATOM 0 HB2 ASN A 102 11.066 1.328 8.637 1.00 0.00 H new ATOM 0 HB3 ASN A 102 9.423 0.826 8.984 1.00 0.00 H new ATOM 0 HD21 ASN A 102 11.327 -1.457 6.504 1.00 0.00 H new ATOM 0 HD22 ASN A 102 11.878 -0.626 7.962 1.00 0.00 H new ATOM 1325 N LYS A 103 11.611 3.828 7.386 1.00 0.00 N ATOM 1326 CA LYS A 103 12.695 4.457 6.652 1.00 0.00 C ATOM 1327 C LYS A 103 14.048 4.105 7.259 1.00 0.00 C ATOM 1328 O LYS A 103 14.439 4.670 8.281 1.00 0.00 O ATOM 1329 CB LYS A 103 12.544 5.973 6.674 1.00 0.00 C ATOM 1330 CG LYS A 103 11.571 6.533 5.659 1.00 0.00 C ATOM 1331 CD LYS A 103 10.119 6.306 6.028 1.00 0.00 C ATOM 1332 CE LYS A 103 9.207 6.696 4.877 1.00 0.00 C ATOM 1333 NZ LYS A 103 7.780 6.762 5.282 1.00 0.00 N ATOM 0 H LYS A 103 11.694 3.912 8.399 1.00 0.00 H new ATOM 0 HA LYS A 103 12.648 4.088 5.628 1.00 0.00 H new ATOM 0 HB2 LYS A 103 12.222 6.277 7.670 1.00 0.00 H new ATOM 0 HB3 LYS A 103 13.522 6.423 6.504 1.00 0.00 H new ATOM 0 HG2 LYS A 103 11.747 7.603 5.550 1.00 0.00 H new ATOM 0 HG3 LYS A 103 11.767 6.077 4.689 1.00 0.00 H new ATOM 0 HD2 LYS A 103 9.963 5.258 6.284 1.00 0.00 H new ATOM 0 HD3 LYS A 103 9.867 6.891 6.913 1.00 0.00 H new ATOM 0 HE2 LYS A 103 9.516 7.665 4.485 1.00 0.00 H new ATOM 0 HE3 LYS A 103 9.319 5.974 4.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 7.176 6.558 4.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 7.598 6.061 6.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 7.565 7.714 5.642 1.00 0.00 H new ATOM 1347 N LEU A 104 14.749 3.168 6.644 1.00 0.00 N ATOM 1348 CA LEU A 104 16.115 2.845 7.042 1.00 0.00 C ATOM 1349 C LEU A 104 16.786 2.035 5.950 1.00 0.00 C ATOM 1350 O LEU A 104 16.114 1.461 5.097 1.00 0.00 O ATOM 1351 CB LEU A 104 16.156 2.076 8.377 1.00 0.00 C ATOM 1352 CG LEU A 104 15.802 0.579 8.342 1.00 0.00 C ATOM 1353 CD1 LEU A 104 15.656 0.056 9.756 1.00 0.00 C ATOM 1354 CD2 LEU A 104 14.533 0.309 7.557 1.00 0.00 C ATOM 0 H LEU A 104 14.396 2.614 5.864 1.00 0.00 H new ATOM 0 HA LEU A 104 16.654 3.781 7.188 1.00 0.00 H new ATOM 0 HB2 LEU A 104 17.159 2.176 8.793 1.00 0.00 H new ATOM 0 HB3 LEU A 104 15.473 2.568 9.070 1.00 0.00 H new ATOM 0 HG LEU A 104 16.615 0.059 7.835 1.00 0.00 H new ATOM 0 HD11 LEU A 104 15.405 -1.004 9.728 1.00 0.00 H new ATOM 0 HD12 LEU A 104 16.595 0.193 10.293 1.00 0.00 H new ATOM 0 HD13 LEU A 104 14.863 0.603 10.266 1.00 0.00 H new ATOM 0 HD21 LEU A 104 14.324 -0.761 7.560 1.00 0.00 H new ATOM 0 HD22 LEU A 104 13.701 0.843 8.016 1.00 0.00 H new ATOM 0 HD23 LEU A 104 14.661 0.651 6.530 1.00 0.00 H new ATOM 1366 N GLN A 105 18.098 2.000 5.958 1.00 0.00 N ATOM 1367 CA GLN A 105 18.818 1.206 4.990 1.00 0.00 C ATOM 1368 C GLN A 105 19.692 0.191 5.702 1.00 0.00 C ATOM 1369 O GLN A 105 20.893 0.395 5.879 1.00 0.00 O ATOM 1370 CB GLN A 105 19.653 2.097 4.069 1.00 0.00 C ATOM 1371 CG GLN A 105 18.826 3.094 3.268 1.00 0.00 C ATOM 1372 CD GLN A 105 17.899 2.432 2.260 1.00 0.00 C ATOM 1373 OE1 GLN A 105 17.436 1.306 2.450 1.00 0.00 O ATOM 1374 NE2 GLN A 105 17.612 3.136 1.180 1.00 0.00 N ATOM 0 H GLN A 105 18.685 2.508 6.619 1.00 0.00 H new ATOM 0 HA GLN A 105 18.098 0.672 4.370 1.00 0.00 H new ATOM 0 HB2 GLN A 105 20.382 2.642 4.668 1.00 0.00 H new ATOM 0 HB3 GLN A 105 20.214 1.467 3.379 1.00 0.00 H new ATOM 0 HG2 GLN A 105 18.233 3.699 3.954 1.00 0.00 H new ATOM 0 HG3 GLN A 105 19.497 3.774 2.743 1.00 0.00 H new ATOM 0 HE21 GLN A 105 18.013 4.065 1.055 1.00 0.00 H new ATOM 0 HE22 GLN A 105 16.989 2.750 0.471 1.00 0.00 H new ATOM 1383 N ALA A 106 19.066 -0.894 6.125 1.00 0.00 N ATOM 1384 CA ALA A 106 19.761 -1.948 6.842 1.00 0.00 C ATOM 1385 C ALA A 106 20.641 -2.754 5.893 1.00 0.00 C ATOM 1386 O ALA A 106 20.552 -2.609 4.670 1.00 0.00 O ATOM 1387 CB ALA A 106 18.755 -2.844 7.545 1.00 0.00 C ATOM 0 H ALA A 106 18.071 -1.068 5.983 1.00 0.00 H new ATOM 0 HA ALA A 106 20.409 -1.497 7.594 1.00 0.00 H new ATOM 0 HB1 ALA A 106 19.283 -3.633 8.081 1.00 0.00 H new ATOM 0 HB2 ALA A 106 18.172 -2.253 8.251 1.00 0.00 H new ATOM 0 HB3 ALA A 106 18.088 -3.290 6.808 1.00 0.00 H new ATOM 1393 N ASP A 107 21.462 -3.624 6.457 1.00 0.00 N ATOM 1394 CA ASP A 107 22.444 -4.372 5.677 1.00 0.00 C ATOM 1395 C ASP A 107 22.104 -5.833 5.770 1.00 0.00 C ATOM 1396 O ASP A 107 21.527 -6.226 6.758 1.00 0.00 O ATOM 1397 CB ASP A 107 23.866 -4.154 6.212 1.00 0.00 C ATOM 1398 CG ASP A 107 24.399 -2.763 5.959 1.00 0.00 C ATOM 1399 OD1 ASP A 107 24.917 -2.514 4.853 1.00 0.00 O ATOM 1400 OD2 ASP A 107 24.327 -1.916 6.875 1.00 0.00 O ATOM 0 H ASP A 107 21.471 -3.833 7.455 1.00 0.00 H new ATOM 0 HA ASP A 107 22.414 -4.025 4.644 1.00 0.00 H new ATOM 0 HB2 ASP A 107 23.876 -4.349 7.284 1.00 0.00 H new ATOM 0 HB3 ASP A 107 24.535 -4.880 5.750 1.00 0.00 H new ATOM 1405 N PRO A 108 22.464 -6.656 4.768 1.00 0.00 N ATOM 1406 CA PRO A 108 22.177 -8.100 4.754 1.00 0.00 C ATOM 1407 C PRO A 108 22.181 -8.743 6.144 1.00 0.00 C ATOM 1408 O PRO A 108 21.245 -9.450 6.515 1.00 0.00 O ATOM 1409 CB PRO A 108 23.329 -8.630 3.917 1.00 0.00 C ATOM 1410 CG PRO A 108 23.559 -7.566 2.896 1.00 0.00 C ATOM 1411 CD PRO A 108 23.195 -6.252 3.550 1.00 0.00 C ATOM 0 HA PRO A 108 21.180 -8.321 4.372 1.00 0.00 H new ATOM 0 HB2 PRO A 108 24.218 -8.798 4.524 1.00 0.00 H new ATOM 0 HB3 PRO A 108 23.077 -9.582 3.450 1.00 0.00 H new ATOM 0 HG2 PRO A 108 24.599 -7.561 2.569 1.00 0.00 H new ATOM 0 HG3 PRO A 108 22.948 -7.740 2.011 1.00 0.00 H new ATOM 0 HD2 PRO A 108 24.082 -5.666 3.791 1.00 0.00 H new ATOM 0 HD3 PRO A 108 22.575 -5.638 2.897 1.00 0.00 H new ATOM 1419 N LYS A 109 23.232 -8.464 6.904 1.00 0.00 N ATOM 1420 CA LYS A 109 23.373 -8.955 8.276 1.00 0.00 C ATOM 1421 C LYS A 109 22.245 -8.465 9.197 1.00 0.00 C ATOM 1422 O LYS A 109 21.635 -9.245 9.916 1.00 0.00 O ATOM 1423 CB LYS A 109 24.717 -8.499 8.847 1.00 0.00 C ATOM 1424 CG LYS A 109 24.939 -6.992 8.752 1.00 0.00 C ATOM 1425 CD LYS A 109 26.258 -6.569 9.377 1.00 0.00 C ATOM 1426 CE LYS A 109 26.303 -6.888 10.863 1.00 0.00 C ATOM 1427 NZ LYS A 109 27.528 -6.355 11.514 1.00 0.00 N ATOM 0 H LYS A 109 24.014 -7.890 6.589 1.00 0.00 H new ATOM 0 HA LYS A 109 23.318 -10.043 8.235 1.00 0.00 H new ATOM 0 HB2 LYS A 109 24.781 -8.802 9.892 1.00 0.00 H new ATOM 0 HB3 LYS A 109 25.520 -9.011 8.317 1.00 0.00 H new ATOM 0 HG2 LYS A 109 24.920 -6.688 7.705 1.00 0.00 H new ATOM 0 HG3 LYS A 109 24.120 -6.473 9.249 1.00 0.00 H new ATOM 0 HD2 LYS A 109 27.080 -7.076 8.871 1.00 0.00 H new ATOM 0 HD3 LYS A 109 26.404 -5.499 9.230 1.00 0.00 H new ATOM 0 HE2 LYS A 109 25.423 -6.468 11.350 1.00 0.00 H new ATOM 0 HE3 LYS A 109 26.260 -7.968 11.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 27.516 -6.596 12.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 28.369 -6.774 11.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 27.557 -5.321 11.405 1.00 0.00 H new ATOM 1441 N GLN A 110 21.989 -7.171 9.165 1.00 0.00 N ATOM 1442 CA GLN A 110 21.048 -6.528 10.063 1.00 0.00 C ATOM 1443 C GLN A 110 19.649 -6.512 9.473 1.00 0.00 C ATOM 1444 O GLN A 110 18.668 -6.214 10.152 1.00 0.00 O ATOM 1445 CB GLN A 110 21.520 -5.112 10.330 1.00 0.00 C ATOM 1446 CG GLN A 110 22.705 -5.034 11.264 1.00 0.00 C ATOM 1447 CD GLN A 110 22.405 -5.582 12.645 1.00 0.00 C ATOM 1448 OE1 GLN A 110 22.579 -6.770 12.905 1.00 0.00 O ATOM 1449 NE2 GLN A 110 21.957 -4.716 13.539 1.00 0.00 N ATOM 0 H GLN A 110 22.433 -6.530 8.508 1.00 0.00 H new ATOM 0 HA GLN A 110 21.005 -7.090 10.996 1.00 0.00 H new ATOM 0 HB2 GLN A 110 21.783 -4.641 9.383 1.00 0.00 H new ATOM 0 HB3 GLN A 110 20.696 -4.537 10.753 1.00 0.00 H new ATOM 0 HG2 GLN A 110 23.539 -5.588 10.832 1.00 0.00 H new ATOM 0 HG3 GLN A 110 23.024 -3.995 11.352 1.00 0.00 H new ATOM 0 HE21 GLN A 110 21.827 -3.738 13.281 1.00 0.00 H new ATOM 0 HE22 GLN A 110 21.742 -5.026 14.486 1.00 0.00 H new ATOM 1458 N LEU A 111 19.574 -6.851 8.207 1.00 0.00 N ATOM 1459 CA LEU A 111 18.337 -6.822 7.473 1.00 0.00 C ATOM 1460 C LEU A 111 17.602 -8.136 7.712 1.00 0.00 C ATOM 1461 O LEU A 111 16.390 -8.155 7.918 1.00 0.00 O ATOM 1462 CB LEU A 111 18.641 -6.580 5.985 1.00 0.00 C ATOM 1463 CG LEU A 111 17.440 -6.413 5.038 1.00 0.00 C ATOM 1464 CD1 LEU A 111 16.815 -7.754 4.704 1.00 0.00 C ATOM 1465 CD2 LEU A 111 16.400 -5.478 5.639 1.00 0.00 C ATOM 0 H LEU A 111 20.377 -7.156 7.657 1.00 0.00 H new ATOM 0 HA LEU A 111 17.692 -6.010 7.810 1.00 0.00 H new ATOM 0 HB2 LEU A 111 19.258 -5.685 5.908 1.00 0.00 H new ATOM 0 HB3 LEU A 111 19.242 -7.414 5.623 1.00 0.00 H new ATOM 0 HG LEU A 111 17.808 -5.970 4.113 1.00 0.00 H new ATOM 0 HD11 LEU A 111 15.969 -7.604 4.033 1.00 0.00 H new ATOM 0 HD12 LEU A 111 17.555 -8.389 4.218 1.00 0.00 H new ATOM 0 HD13 LEU A 111 16.471 -8.233 5.620 1.00 0.00 H new ATOM 0 HD21 LEU A 111 15.561 -5.376 4.951 1.00 0.00 H new ATOM 0 HD22 LEU A 111 16.046 -5.888 6.585 1.00 0.00 H new ATOM 0 HD23 LEU A 111 16.848 -4.499 5.813 1.00 0.00 H new ATOM 1477 N GLU A 112 18.361 -9.234 7.733 1.00 0.00 N ATOM 1478 CA GLU A 112 17.801 -10.544 8.053 1.00 0.00 C ATOM 1479 C GLU A 112 17.337 -10.568 9.505 1.00 0.00 C ATOM 1480 O GLU A 112 16.508 -11.384 9.894 1.00 0.00 O ATOM 1481 CB GLU A 112 18.833 -11.648 7.832 1.00 0.00 C ATOM 1482 CG GLU A 112 20.052 -11.495 8.715 1.00 0.00 C ATOM 1483 CD GLU A 112 20.843 -12.779 8.856 1.00 0.00 C ATOM 1484 OE1 GLU A 112 20.517 -13.586 9.754 1.00 0.00 O ATOM 1485 OE2 GLU A 112 21.793 -12.988 8.076 1.00 0.00 O ATOM 0 H GLU A 112 19.361 -9.240 7.533 1.00 0.00 H new ATOM 0 HA GLU A 112 16.953 -10.722 7.392 1.00 0.00 H new ATOM 0 HB2 GLU A 112 18.370 -12.616 8.024 1.00 0.00 H new ATOM 0 HB3 GLU A 112 19.144 -11.645 6.787 1.00 0.00 H new ATOM 0 HG2 GLU A 112 20.698 -10.720 8.303 1.00 0.00 H new ATOM 0 HG3 GLU A 112 19.739 -11.157 9.703 1.00 0.00 H new ATOM 1492 N VAL A 113 17.898 -9.664 10.299 1.00 0.00 N ATOM 1493 CA VAL A 113 17.491 -9.479 11.685 1.00 0.00 C ATOM 1494 C VAL A 113 16.047 -8.995 11.742 1.00 0.00 C ATOM 1495 O VAL A 113 15.269 -9.396 12.609 1.00 0.00 O ATOM 1496 CB VAL A 113 18.420 -8.464 12.386 1.00 0.00 C ATOM 1497 CG1 VAL A 113 17.942 -8.138 13.788 1.00 0.00 C ATOM 1498 CG2 VAL A 113 19.839 -8.998 12.428 1.00 0.00 C ATOM 0 H VAL A 113 18.647 -9.040 10.000 1.00 0.00 H new ATOM 0 HA VAL A 113 17.566 -10.435 12.204 1.00 0.00 H new ATOM 0 HB VAL A 113 18.398 -7.541 11.807 1.00 0.00 H new ATOM 0 HG11 VAL A 113 18.623 -7.421 14.247 1.00 0.00 H new ATOM 0 HG12 VAL A 113 16.941 -7.709 13.741 1.00 0.00 H new ATOM 0 HG13 VAL A 113 17.918 -9.049 14.386 1.00 0.00 H new ATOM 0 HG21 VAL A 113 20.486 -8.274 12.924 1.00 0.00 H new ATOM 0 HG22 VAL A 113 19.858 -9.939 12.978 1.00 0.00 H new ATOM 0 HG23 VAL A 113 20.195 -9.165 11.411 1.00 0.00 H new ATOM 1508 N LEU A 114 15.687 -8.162 10.778 1.00 0.00 N ATOM 1509 CA LEU A 114 14.329 -7.650 10.674 1.00 0.00 C ATOM 1510 C LEU A 114 13.456 -8.718 10.029 1.00 0.00 C ATOM 1511 O LEU A 114 12.274 -8.854 10.342 1.00 0.00 O ATOM 1512 CB LEU A 114 14.320 -6.350 9.852 1.00 0.00 C ATOM 1513 CG LEU A 114 13.044 -5.496 9.938 1.00 0.00 C ATOM 1514 CD1 LEU A 114 13.346 -4.058 9.547 1.00 0.00 C ATOM 1515 CD2 LEU A 114 11.949 -6.048 9.035 1.00 0.00 C ATOM 0 H LEU A 114 16.320 -7.825 10.053 1.00 0.00 H new ATOM 0 HA LEU A 114 13.934 -7.418 11.663 1.00 0.00 H new ATOM 0 HB2 LEU A 114 15.163 -5.738 10.172 1.00 0.00 H new ATOM 0 HB3 LEU A 114 14.490 -6.606 8.806 1.00 0.00 H new ATOM 0 HG LEU A 114 12.692 -5.528 10.969 1.00 0.00 H new ATOM 0 HD11 LEU A 114 12.434 -3.464 9.612 1.00 0.00 H new ATOM 0 HD12 LEU A 114 14.096 -3.647 10.223 1.00 0.00 H new ATOM 0 HD13 LEU A 114 13.725 -4.031 8.525 1.00 0.00 H new ATOM 0 HD21 LEU A 114 11.060 -5.423 9.118 1.00 0.00 H new ATOM 0 HD22 LEU A 114 12.296 -6.050 8.002 1.00 0.00 H new ATOM 0 HD23 LEU A 114 11.706 -7.066 9.338 1.00 0.00 H new ATOM 1527 N PHE A 115 14.078 -9.517 9.172 1.00 0.00 N ATOM 1528 CA PHE A 115 13.382 -10.572 8.450 1.00 0.00 C ATOM 1529 C PHE A 115 13.288 -11.821 9.330 1.00 0.00 C ATOM 1530 O PHE A 115 12.738 -12.850 8.928 1.00 0.00 O ATOM 1531 CB PHE A 115 14.141 -10.868 7.158 1.00 0.00 C ATOM 1532 CG PHE A 115 13.311 -11.476 6.059 1.00 0.00 C ATOM 1533 CD1 PHE A 115 12.386 -10.707 5.372 1.00 0.00 C ATOM 1534 CD2 PHE A 115 13.479 -12.803 5.691 1.00 0.00 C ATOM 1535 CE1 PHE A 115 11.641 -11.248 4.342 1.00 0.00 C ATOM 1536 CE2 PHE A 115 12.734 -13.350 4.664 1.00 0.00 C ATOM 1537 CZ PHE A 115 11.814 -12.571 3.988 1.00 0.00 C ATOM 0 H PHE A 115 15.073 -9.452 8.959 1.00 0.00 H new ATOM 0 HA PHE A 115 12.369 -10.256 8.201 1.00 0.00 H new ATOM 0 HB2 PHE A 115 14.580 -9.940 6.791 1.00 0.00 H new ATOM 0 HB3 PHE A 115 14.966 -11.543 7.385 1.00 0.00 H new ATOM 0 HD1 PHE A 115 12.245 -9.672 5.645 1.00 0.00 H new ATOM 0 HD2 PHE A 115 14.200 -13.415 6.213 1.00 0.00 H new ATOM 0 HE1 PHE A 115 10.924 -10.637 3.814 1.00 0.00 H new ATOM 0 HE2 PHE A 115 12.870 -14.386 4.390 1.00 0.00 H new ATOM 0 HZ PHE A 115 11.232 -12.997 3.184 1.00 0.00 H new ATOM 1547 N GLN A 116 13.841 -11.692 10.534 1.00 0.00 N ATOM 1548 CA GLN A 116 13.830 -12.732 11.560 1.00 0.00 C ATOM 1549 C GLN A 116 14.732 -13.910 11.184 1.00 0.00 C ATOM 1550 O GLN A 116 15.855 -14.015 11.678 1.00 0.00 O ATOM 1551 CB GLN A 116 12.404 -13.208 11.857 1.00 0.00 C ATOM 1552 CG GLN A 116 12.290 -14.053 13.118 1.00 0.00 C ATOM 1553 CD GLN A 116 12.735 -13.307 14.364 1.00 0.00 C ATOM 1554 OE1 GLN A 116 11.937 -12.624 15.010 1.00 0.00 O ATOM 1555 NE2 GLN A 116 14.001 -13.448 14.724 1.00 0.00 N ATOM 0 H GLN A 116 14.320 -10.842 10.830 1.00 0.00 H new ATOM 0 HA GLN A 116 14.233 -12.287 12.470 1.00 0.00 H new ATOM 0 HB2 GLN A 116 11.753 -12.339 11.953 1.00 0.00 H new ATOM 0 HB3 GLN A 116 12.040 -13.787 11.008 1.00 0.00 H new ATOM 0 HG2 GLN A 116 11.256 -14.376 13.242 1.00 0.00 H new ATOM 0 HG3 GLN A 116 12.894 -14.953 13.003 1.00 0.00 H new ATOM 0 HE21 GLN A 116 14.630 -14.022 14.162 1.00 0.00 H new ATOM 0 HE22 GLN A 116 14.348 -12.983 15.563 1.00 0.00 H new ATOM 1564 N GLY A 117 14.253 -14.788 10.313 1.00 0.00 N ATOM 1565 CA GLY A 117 15.013 -15.974 9.964 1.00 0.00 C ATOM 1566 C GLY A 117 14.276 -16.835 8.962 1.00 0.00 C ATOM 1567 O GLY A 117 14.877 -17.302 7.990 1.00 0.00 O ATOM 0 H GLY A 117 13.353 -14.701 9.842 1.00 0.00 H new ATOM 0 HA2 GLY A 117 15.978 -15.680 9.551 1.00 0.00 H new ATOM 0 HA3 GLY A 117 15.215 -16.555 10.864 1.00 0.00 H new ATOM 1571 N PRO A 118 12.978 -17.110 9.222 1.00 0.00 N ATOM 1572 CA PRO A 118 12.048 -17.687 8.255 1.00 0.00 C ATOM 1573 C PRO A 118 12.353 -17.302 6.807 1.00 0.00 C ATOM 1574 O PRO A 118 12.625 -16.135 6.507 1.00 0.00 O ATOM 1575 CB PRO A 118 10.741 -17.052 8.706 1.00 0.00 C ATOM 1576 CG PRO A 118 10.840 -16.992 10.192 1.00 0.00 C ATOM 1577 CD PRO A 118 12.310 -16.935 10.527 1.00 0.00 C ATOM 0 HA PRO A 118 12.071 -18.777 8.243 1.00 0.00 H new ATOM 0 HB2 PRO A 118 10.616 -16.058 8.277 1.00 0.00 H new ATOM 0 HB3 PRO A 118 9.883 -17.646 8.390 1.00 0.00 H new ATOM 0 HG2 PRO A 118 10.321 -16.115 10.579 1.00 0.00 H new ATOM 0 HG3 PRO A 118 10.373 -17.866 10.647 1.00 0.00 H new ATOM 0 HD2 PRO A 118 12.578 -15.985 10.989 1.00 0.00 H new ATOM 0 HD3 PRO A 118 12.591 -17.721 11.228 1.00 0.00 H new ATOM 1585 N GLN A 119 12.275 -18.286 5.916 1.00 0.00 N ATOM 1586 CA GLN A 119 12.620 -18.091 4.509 1.00 0.00 C ATOM 1587 C GLN A 119 11.571 -17.256 3.773 1.00 0.00 C ATOM 1588 O GLN A 119 10.630 -16.735 4.378 1.00 0.00 O ATOM 1589 CB GLN A 119 12.807 -19.443 3.818 1.00 0.00 C ATOM 1590 CG GLN A 119 14.023 -20.208 4.316 1.00 0.00 C ATOM 1591 CD GLN A 119 14.290 -21.472 3.525 1.00 0.00 C ATOM 1592 OE1 GLN A 119 13.983 -21.558 2.335 1.00 0.00 O ATOM 1593 NE2 GLN A 119 14.874 -22.461 4.178 1.00 0.00 N ATOM 0 H GLN A 119 11.974 -19.233 6.145 1.00 0.00 H new ATOM 0 HA GLN A 119 13.559 -17.538 4.474 1.00 0.00 H new ATOM 0 HB2 GLN A 119 11.915 -20.050 3.974 1.00 0.00 H new ATOM 0 HB3 GLN A 119 12.901 -19.285 2.744 1.00 0.00 H new ATOM 0 HG2 GLN A 119 14.899 -19.561 4.264 1.00 0.00 H new ATOM 0 HG3 GLN A 119 13.879 -20.466 5.365 1.00 0.00 H new ATOM 0 HE21 GLN A 119 15.113 -22.351 5.164 1.00 0.00 H new ATOM 0 HE22 GLN A 119 15.086 -23.335 3.697 1.00 0.00 H new ATOM 1602 N PHE A 120 11.736 -17.138 2.460 1.00 0.00 N ATOM 1603 CA PHE A 120 10.952 -16.200 1.670 1.00 0.00 C ATOM 1604 C PHE A 120 10.373 -16.851 0.421 1.00 0.00 C ATOM 1605 O PHE A 120 10.756 -17.954 0.045 1.00 0.00 O ATOM 1606 CB PHE A 120 11.839 -15.025 1.251 1.00 0.00 C ATOM 1607 CG PHE A 120 13.002 -15.436 0.385 1.00 0.00 C ATOM 1608 CD1 PHE A 120 14.199 -15.840 0.955 1.00 0.00 C ATOM 1609 CD2 PHE A 120 12.896 -15.418 -0.997 1.00 0.00 C ATOM 1610 CE1 PHE A 120 15.265 -16.219 0.163 1.00 0.00 C ATOM 1611 CE2 PHE A 120 13.959 -15.795 -1.793 1.00 0.00 C ATOM 1612 CZ PHE A 120 15.145 -16.196 -1.213 1.00 0.00 C ATOM 0 H PHE A 120 12.408 -17.683 1.920 1.00 0.00 H new ATOM 0 HA PHE A 120 10.123 -15.858 2.289 1.00 0.00 H new ATOM 0 HB2 PHE A 120 11.234 -14.296 0.713 1.00 0.00 H new ATOM 0 HB3 PHE A 120 12.218 -14.528 2.144 1.00 0.00 H new ATOM 0 HD1 PHE A 120 14.299 -15.859 2.030 1.00 0.00 H new ATOM 0 HD2 PHE A 120 11.970 -15.105 -1.457 1.00 0.00 H new ATOM 0 HE1 PHE A 120 16.192 -16.533 0.619 1.00 0.00 H new ATOM 0 HE2 PHE A 120 13.862 -15.776 -2.869 1.00 0.00 H new ATOM 0 HZ PHE A 120 15.978 -16.491 -1.834 1.00 0.00 H new ATOM 1622 N THR A 121 9.460 -16.135 -0.218 1.00 0.00 N ATOM 1623 CA THR A 121 8.891 -16.550 -1.490 1.00 0.00 C ATOM 1624 C THR A 121 8.714 -15.313 -2.382 1.00 0.00 C ATOM 1625 O THR A 121 7.842 -15.252 -3.249 1.00 0.00 O ATOM 1626 CB THR A 121 7.539 -17.285 -1.279 1.00 0.00 C ATOM 1627 OG1 THR A 121 7.015 -17.768 -2.525 1.00 0.00 O ATOM 1628 CG2 THR A 121 6.518 -16.377 -0.607 1.00 0.00 C ATOM 0 H THR A 121 9.093 -15.250 0.131 1.00 0.00 H new ATOM 0 HA THR A 121 9.567 -17.252 -1.978 1.00 0.00 H new ATOM 0 HB THR A 121 7.731 -18.136 -0.626 1.00 0.00 H new ATOM 0 HG1 THR A 121 7.113 -17.075 -3.211 1.00 0.00 H new ATOM 0 HG21 THR A 121 5.582 -16.919 -0.473 1.00 0.00 H new ATOM 0 HG22 THR A 121 6.897 -16.060 0.365 1.00 0.00 H new ATOM 0 HG23 THR A 121 6.343 -15.501 -1.232 1.00 0.00 H new ATOM 1636 N LEU A 122 9.570 -14.322 -2.152 1.00 0.00 N ATOM 1637 CA LEU A 122 9.480 -13.043 -2.847 1.00 0.00 C ATOM 1638 C LEU A 122 10.600 -12.904 -3.871 1.00 0.00 C ATOM 1639 O LEU A 122 11.772 -13.098 -3.547 1.00 0.00 O ATOM 1640 CB LEU A 122 9.558 -11.869 -1.854 1.00 0.00 C ATOM 1641 CG LEU A 122 8.360 -11.679 -0.909 1.00 0.00 C ATOM 1642 CD1 LEU A 122 7.057 -11.644 -1.688 1.00 0.00 C ATOM 1643 CD2 LEU A 122 8.321 -12.758 0.164 1.00 0.00 C ATOM 0 H LEU A 122 10.339 -14.382 -1.485 1.00 0.00 H new ATOM 0 HA LEU A 122 8.517 -13.017 -3.358 1.00 0.00 H new ATOM 0 HB2 LEU A 122 10.453 -11.998 -1.246 1.00 0.00 H new ATOM 0 HB3 LEU A 122 9.690 -10.950 -2.425 1.00 0.00 H new ATOM 0 HG LEU A 122 8.484 -10.719 -0.408 1.00 0.00 H new ATOM 0 HD11 LEU A 122 6.224 -11.509 -0.998 1.00 0.00 H new ATOM 0 HD12 LEU A 122 7.079 -10.816 -2.397 1.00 0.00 H new ATOM 0 HD13 LEU A 122 6.931 -12.582 -2.229 1.00 0.00 H new ATOM 0 HD21 LEU A 122 7.462 -12.593 0.814 1.00 0.00 H new ATOM 0 HD22 LEU A 122 8.237 -13.737 -0.308 1.00 0.00 H new ATOM 0 HD23 LEU A 122 9.236 -12.717 0.755 1.00 0.00 H new ATOM 1655 N ARG A 123 10.234 -12.564 -5.098 1.00 0.00 N ATOM 1656 CA ARG A 123 11.213 -12.334 -6.150 1.00 0.00 C ATOM 1657 C ARG A 123 10.795 -11.137 -7.006 1.00 0.00 C ATOM 1658 O ARG A 123 11.414 -10.075 -6.944 1.00 0.00 O ATOM 1659 CB ARG A 123 11.372 -13.593 -7.008 1.00 0.00 C ATOM 1660 CG ARG A 123 12.480 -13.513 -8.052 1.00 0.00 C ATOM 1661 CD ARG A 123 13.858 -13.366 -7.420 1.00 0.00 C ATOM 1662 NE ARG A 123 14.117 -12.006 -6.942 1.00 0.00 N ATOM 1663 CZ ARG A 123 14.930 -11.714 -5.928 1.00 0.00 C ATOM 1664 NH1 ARG A 123 15.522 -12.682 -5.243 1.00 0.00 N ATOM 1665 NH2 ARG A 123 15.143 -10.448 -5.596 1.00 0.00 N ATOM 0 H ARG A 123 9.264 -12.441 -5.390 1.00 0.00 H new ATOM 0 HA ARG A 123 12.178 -12.108 -5.695 1.00 0.00 H new ATOM 0 HB2 ARG A 123 11.569 -14.441 -6.352 1.00 0.00 H new ATOM 0 HB3 ARG A 123 10.428 -13.794 -7.514 1.00 0.00 H new ATOM 0 HG2 ARG A 123 12.460 -14.411 -8.670 1.00 0.00 H new ATOM 0 HG3 ARG A 123 12.293 -12.667 -8.713 1.00 0.00 H new ATOM 0 HD2 ARG A 123 13.948 -14.063 -6.587 1.00 0.00 H new ATOM 0 HD3 ARG A 123 14.619 -13.642 -8.150 1.00 0.00 H new ATOM 0 HE ARG A 123 13.646 -11.235 -7.415 1.00 0.00 H new ATOM 0 HH11 ARG A 123 15.356 -13.657 -5.491 1.00 0.00 H new ATOM 0 HH12 ARG A 123 16.143 -12.452 -4.468 1.00 0.00 H new ATOM 0 HH21 ARG A 123 14.685 -9.700 -6.117 1.00 0.00 H new ATOM 0 HH22 ARG A 123 15.765 -10.222 -4.820 1.00 0.00 H new ATOM 1679 N HIS A 124 9.739 -11.309 -7.791 1.00 0.00 N ATOM 1680 CA HIS A 124 9.188 -10.218 -8.590 1.00 0.00 C ATOM 1681 C HIS A 124 8.284 -9.360 -7.714 1.00 0.00 C ATOM 1682 O HIS A 124 7.696 -9.858 -6.758 1.00 0.00 O ATOM 1683 CB HIS A 124 8.406 -10.786 -9.783 1.00 0.00 C ATOM 1684 CG HIS A 124 7.890 -9.756 -10.746 1.00 0.00 C ATOM 1685 ND1 HIS A 124 8.673 -9.178 -11.724 1.00 0.00 N ATOM 1686 CD2 HIS A 124 6.657 -9.215 -10.893 1.00 0.00 C ATOM 1687 CE1 HIS A 124 7.945 -8.331 -12.426 1.00 0.00 C ATOM 1688 NE2 HIS A 124 6.720 -8.334 -11.943 1.00 0.00 N ATOM 0 H HIS A 124 9.245 -12.195 -7.893 1.00 0.00 H new ATOM 0 HA HIS A 124 9.998 -9.599 -8.976 1.00 0.00 H new ATOM 0 HB2 HIS A 124 9.050 -11.479 -10.325 1.00 0.00 H new ATOM 0 HB3 HIS A 124 7.563 -11.364 -9.405 1.00 0.00 H new ATOM 0 HD2 HIS A 124 5.786 -9.436 -10.295 1.00 0.00 H new ATOM 0 HE1 HIS A 124 8.295 -7.736 -13.257 1.00 0.00 H new ATOM 0 HE2 HIS A 124 5.944 -7.772 -12.293 1.00 0.00 H new ATOM 1697 N TRP A 125 8.191 -8.074 -8.038 1.00 0.00 N ATOM 1698 CA TRP A 125 7.373 -7.131 -7.278 1.00 0.00 C ATOM 1699 C TRP A 125 5.879 -7.338 -7.534 1.00 0.00 C ATOM 1700 O TRP A 125 5.488 -8.069 -8.441 1.00 0.00 O ATOM 1701 CB TRP A 125 7.775 -5.693 -7.623 1.00 0.00 C ATOM 1702 CG TRP A 125 8.085 -5.479 -9.073 1.00 0.00 C ATOM 1703 CD1 TRP A 125 7.201 -5.215 -10.077 1.00 0.00 C ATOM 1704 CD2 TRP A 125 9.385 -5.503 -9.674 1.00 0.00 C ATOM 1705 NE1 TRP A 125 7.873 -5.081 -11.268 1.00 0.00 N ATOM 1706 CE2 TRP A 125 9.215 -5.252 -11.046 1.00 0.00 C ATOM 1707 CE3 TRP A 125 10.678 -5.715 -9.183 1.00 0.00 C ATOM 1708 CZ2 TRP A 125 10.287 -5.204 -11.933 1.00 0.00 C ATOM 1709 CZ3 TRP A 125 11.741 -5.667 -10.064 1.00 0.00 C ATOM 1710 CH2 TRP A 125 11.540 -5.415 -11.425 1.00 0.00 C ATOM 0 H TRP A 125 8.678 -7.656 -8.831 1.00 0.00 H new ATOM 0 HA TRP A 125 7.552 -7.314 -6.219 1.00 0.00 H new ATOM 0 HB2 TRP A 125 6.968 -5.021 -7.331 1.00 0.00 H new ATOM 0 HB3 TRP A 125 8.648 -5.419 -7.031 1.00 0.00 H new ATOM 0 HD1 TRP A 125 6.132 -5.125 -9.954 1.00 0.00 H new ATOM 0 HE1 TRP A 125 7.443 -4.886 -12.172 1.00 0.00 H new ATOM 0 HE3 TRP A 125 10.842 -5.913 -8.134 1.00 0.00 H new ATOM 0 HZ2 TRP A 125 10.135 -5.007 -12.984 1.00 0.00 H new ATOM 0 HZ3 TRP A 125 12.744 -5.827 -9.696 1.00 0.00 H new ATOM 0 HH2 TRP A 125 12.391 -5.386 -12.089 1.00 0.00 H new ATOM 1721 N LEU A 126 5.057 -6.688 -6.723 1.00 0.00 N ATOM 1722 CA LEU A 126 3.608 -6.823 -6.813 1.00 0.00 C ATOM 1723 C LEU A 126 2.969 -5.443 -6.806 1.00 0.00 C ATOM 1724 O LEU A 126 3.636 -4.453 -6.501 1.00 0.00 O ATOM 1725 CB LEU A 126 3.085 -7.650 -5.636 1.00 0.00 C ATOM 1726 CG LEU A 126 3.051 -6.923 -4.295 1.00 0.00 C ATOM 1727 CD1 LEU A 126 1.624 -6.533 -3.927 1.00 0.00 C ATOM 1728 CD2 LEU A 126 3.664 -7.786 -3.214 1.00 0.00 C ATOM 0 H LEU A 126 5.372 -6.055 -5.988 1.00 0.00 H new ATOM 0 HA LEU A 126 3.350 -7.334 -7.741 1.00 0.00 H new ATOM 0 HB2 LEU A 126 2.077 -7.991 -5.872 1.00 0.00 H new ATOM 0 HB3 LEU A 126 3.706 -8.540 -5.533 1.00 0.00 H new ATOM 0 HG LEU A 126 3.639 -6.009 -4.384 1.00 0.00 H new ATOM 0 HD11 LEU A 126 1.624 -6.016 -2.967 1.00 0.00 H new ATOM 0 HD12 LEU A 126 1.218 -5.874 -4.694 1.00 0.00 H new ATOM 0 HD13 LEU A 126 1.009 -7.430 -3.856 1.00 0.00 H new ATOM 0 HD21 LEU A 126 3.633 -7.255 -2.263 1.00 0.00 H new ATOM 0 HD22 LEU A 126 3.102 -8.716 -3.129 1.00 0.00 H new ATOM 0 HD23 LEU A 126 4.699 -8.010 -3.471 1.00 0.00 H new ATOM 1740 N LYS A 127 1.684 -5.367 -7.118 1.00 0.00 N ATOM 1741 CA LYS A 127 1.011 -4.092 -7.169 1.00 0.00 C ATOM 1742 C LYS A 127 -0.423 -4.207 -6.681 1.00 0.00 C ATOM 1743 O LYS A 127 -1.066 -5.249 -6.822 1.00 0.00 O ATOM 1744 CB LYS A 127 1.064 -3.512 -8.598 1.00 0.00 C ATOM 1745 CG LYS A 127 -0.003 -4.017 -9.573 1.00 0.00 C ATOM 1746 CD LYS A 127 -1.320 -3.246 -9.453 1.00 0.00 C ATOM 1747 CE LYS A 127 -1.150 -1.756 -9.731 1.00 0.00 C ATOM 1748 NZ LYS A 127 -2.427 -1.013 -9.558 1.00 0.00 N ATOM 0 H LYS A 127 1.096 -6.171 -7.337 1.00 0.00 H new ATOM 0 HA LYS A 127 1.531 -3.406 -6.500 1.00 0.00 H new ATOM 0 HB2 LYS A 127 0.981 -2.427 -8.531 1.00 0.00 H new ATOM 0 HB3 LYS A 127 2.045 -3.731 -9.020 1.00 0.00 H new ATOM 0 HG2 LYS A 127 0.372 -3.932 -10.593 1.00 0.00 H new ATOM 0 HG3 LYS A 127 -0.187 -5.075 -9.388 1.00 0.00 H new ATOM 0 HD2 LYS A 127 -2.046 -3.662 -10.151 1.00 0.00 H new ATOM 0 HD3 LYS A 127 -1.727 -3.382 -8.451 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -0.396 -1.345 -9.060 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -0.782 -1.615 -10.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -2.372 -0.106 -10.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 -3.212 -1.577 -9.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -2.591 -0.835 -8.546 1.00 0.00 H new ATOM 1762 N VAL A 128 -0.900 -3.132 -6.092 1.00 0.00 N ATOM 1763 CA VAL A 128 -2.303 -2.968 -5.792 1.00 0.00 C ATOM 1764 C VAL A 128 -2.642 -1.484 -5.877 1.00 0.00 C ATOM 1765 O VAL A 128 -2.417 -0.746 -4.912 1.00 0.00 O ATOM 1766 CB VAL A 128 -2.733 -3.605 -4.445 1.00 0.00 C ATOM 1767 CG1 VAL A 128 -1.883 -3.143 -3.285 1.00 0.00 C ATOM 1768 CG2 VAL A 128 -4.203 -3.348 -4.190 1.00 0.00 C ATOM 1769 OXT VAL A 128 -3.065 -1.047 -6.964 1.00 0.00 O ATOM 0 H VAL A 128 -0.320 -2.343 -5.807 1.00 0.00 H new ATOM 0 HA VAL A 128 -2.882 -3.519 -6.534 1.00 0.00 H new ATOM 0 HB VAL A 128 -2.574 -4.680 -4.527 1.00 0.00 H new ATOM 0 HG11 VAL A 128 -2.228 -3.620 -2.368 1.00 0.00 H new ATOM 0 HG12 VAL A 128 -0.843 -3.414 -3.466 1.00 0.00 H new ATOM 0 HG13 VAL A 128 -1.964 -2.061 -3.183 1.00 0.00 H new ATOM 0 HG21 VAL A 128 -4.492 -3.800 -3.241 1.00 0.00 H new ATOM 0 HG22 VAL A 128 -4.383 -2.274 -4.150 1.00 0.00 H new ATOM 0 HG23 VAL A 128 -4.794 -3.785 -4.995 1.00 0.00 H new TER 1779 VAL A 128