USER MOD reduce.3.24.130724 H: found=0, std=0, add=721, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 716 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 47 ASN : amide:sc= -0.35 K(o=-0.41,f=-2.9!) USER MOD Set 1.2: A 55 ASN : amide:sc= -0.0597 X(o=-0.41,f=-0.29) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ -173:sc=-0.00206 (180deg=-0.012) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl 171:sc= 0 (180deg=-0.068) USER MOD Single : A 28 THR OG1 : rot 165:sc= -3.84 USER MOD Single : A 38 HIS : no HD1:sc= -5.22! C(o=-5.2!,f=-3.4!) USER MOD Single : A 39 TYR OH : rot 180:sc= -0.254 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= 0 K(o=0,f=-0.95) USER MOD Single : A 49 ASN : amide:sc= -0.0154 X(o=-0.015,f=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 56 CYS SG : rot -179:sc= 0 USER MOD Single : A 61 GLN : amide:sc= -0.425 K(o=-0.43,f=-3!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 166:sc= 0.323 (180deg=0.252) USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.373 USER MOD Single : A 73 MET CE :methyl -150:sc= -0.532 (180deg=-2.15!) USER MOD Single : A 75 SER OG : rot 180:sc= -3.41! USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot -88:sc= 1.21 USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=-0.045) USER MOD Single : A 81 HIS : no HD1:sc= -1.96 K(o=-2,f=-3.1) USER MOD Single : A 83 SER OG : rot 60:sc= 0.124 USER MOD Single : A 88 SER OG : rot 66:sc= 0.194 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.493 -11.094 -1.086 1.00 0.00 N ATOM 2 CA GLY A 1 -11.984 -12.350 -0.546 1.00 0.00 C ATOM 3 C GLY A 1 -13.442 -12.587 -0.945 1.00 0.00 C ATOM 4 O GLY A 1 -14.353 -12.016 -0.348 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.502 -10.957 -0.801 1.00 0.00 H new ATOM 0 H2 GLY A 1 -11.555 -11.115 -2.124 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.070 -10.310 -0.720 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.366 -13.172 -0.908 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -11.898 -12.341 0.541 1.00 0.00 H new ATOM 8 N SER A 2 -13.616 -13.429 -1.953 1.00 0.00 N ATOM 9 CA SER A 2 -14.948 -13.748 -2.440 1.00 0.00 C ATOM 10 C SER A 2 -14.870 -14.860 -3.487 1.00 0.00 C ATOM 11 O SER A 2 -15.460 -15.925 -3.312 1.00 0.00 O ATOM 12 CB SER A 2 -15.630 -12.511 -3.028 1.00 0.00 C ATOM 13 OG SER A 2 -17.047 -12.652 -3.069 1.00 0.00 O ATOM 0 H SER A 2 -12.857 -13.900 -2.446 1.00 0.00 H new ATOM 0 HA SER A 2 -15.547 -14.093 -1.597 1.00 0.00 H new ATOM 0 HB2 SER A 2 -15.370 -11.636 -2.432 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.254 -12.334 -4.036 1.00 0.00 H new ATOM 0 HG SER A 2 -17.446 -11.841 -3.449 1.00 0.00 H new ATOM 19 N SER A 3 -14.137 -14.575 -4.553 1.00 0.00 N ATOM 20 CA SER A 3 -13.974 -15.538 -5.629 1.00 0.00 C ATOM 21 C SER A 3 -12.537 -15.498 -6.154 1.00 0.00 C ATOM 22 O SER A 3 -11.886 -14.456 -6.112 1.00 0.00 O ATOM 23 CB SER A 3 -14.962 -15.267 -6.765 1.00 0.00 C ATOM 24 OG SER A 3 -14.679 -14.043 -7.438 1.00 0.00 O ATOM 0 H SER A 3 -13.649 -13.691 -4.695 1.00 0.00 H new ATOM 0 HA SER A 3 -14.182 -16.532 -5.233 1.00 0.00 H new ATOM 0 HB2 SER A 3 -14.928 -16.090 -7.479 1.00 0.00 H new ATOM 0 HB3 SER A 3 -15.975 -15.235 -6.364 1.00 0.00 H new ATOM 0 HG SER A 3 -15.331 -13.907 -8.157 1.00 0.00 H new ATOM 30 N GLY A 4 -12.085 -16.647 -6.636 1.00 0.00 N ATOM 31 CA GLY A 4 -10.738 -16.756 -7.168 1.00 0.00 C ATOM 32 C GLY A 4 -10.497 -18.143 -7.769 1.00 0.00 C ATOM 33 O GLY A 4 -11.211 -19.093 -7.454 1.00 0.00 O ATOM 0 H GLY A 4 -12.628 -17.510 -6.669 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.581 -15.993 -7.930 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.014 -16.568 -6.375 1.00 0.00 H new ATOM 37 N SER A 5 -9.487 -18.214 -8.625 1.00 0.00 N ATOM 38 CA SER A 5 -9.143 -19.469 -9.272 1.00 0.00 C ATOM 39 C SER A 5 -7.639 -19.519 -9.550 1.00 0.00 C ATOM 40 O SER A 5 -6.943 -20.405 -9.058 1.00 0.00 O ATOM 41 CB SER A 5 -9.929 -19.651 -10.572 1.00 0.00 C ATOM 42 OG SER A 5 -10.445 -20.973 -10.704 1.00 0.00 O ATOM 0 H SER A 5 -8.897 -17.424 -8.885 1.00 0.00 H new ATOM 0 HA SER A 5 -9.409 -20.285 -8.600 1.00 0.00 H new ATOM 0 HB2 SER A 5 -10.751 -18.936 -10.601 1.00 0.00 H new ATOM 0 HB3 SER A 5 -9.282 -19.428 -11.421 1.00 0.00 H new ATOM 0 HG SER A 5 -10.942 -21.048 -11.546 1.00 0.00 H new ATOM 48 N SER A 6 -7.183 -18.556 -10.337 1.00 0.00 N ATOM 49 CA SER A 6 -5.774 -18.479 -10.686 1.00 0.00 C ATOM 50 C SER A 6 -5.368 -17.020 -10.905 1.00 0.00 C ATOM 51 O SER A 6 -4.634 -16.449 -10.100 1.00 0.00 O ATOM 52 CB SER A 6 -5.470 -19.308 -11.935 1.00 0.00 C ATOM 53 OG SER A 6 -4.073 -19.362 -12.213 1.00 0.00 O ATOM 0 H SER A 6 -7.764 -17.822 -10.743 1.00 0.00 H new ATOM 0 HA SER A 6 -5.194 -18.891 -9.860 1.00 0.00 H new ATOM 0 HB2 SER A 6 -5.852 -20.320 -11.800 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.994 -18.881 -12.790 1.00 0.00 H new ATOM 0 HG SER A 6 -3.920 -19.902 -13.017 1.00 0.00 H new ATOM 59 N GLY A 7 -5.863 -16.460 -11.998 1.00 0.00 N ATOM 60 CA GLY A 7 -5.561 -15.078 -12.334 1.00 0.00 C ATOM 61 C GLY A 7 -5.515 -14.207 -11.077 1.00 0.00 C ATOM 62 O GLY A 7 -4.441 -13.790 -10.645 1.00 0.00 O ATOM 0 H GLY A 7 -6.471 -16.937 -12.663 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.603 -15.027 -12.852 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.315 -14.693 -13.020 1.00 0.00 H new ATOM 66 N VAL A 8 -6.693 -13.956 -10.526 1.00 0.00 N ATOM 67 CA VAL A 8 -6.801 -13.142 -9.328 1.00 0.00 C ATOM 68 C VAL A 8 -5.707 -13.549 -8.339 1.00 0.00 C ATOM 69 O VAL A 8 -5.192 -14.665 -8.402 1.00 0.00 O ATOM 70 CB VAL A 8 -8.210 -13.257 -8.742 1.00 0.00 C ATOM 71 CG1 VAL A 8 -9.270 -12.924 -9.794 1.00 0.00 C ATOM 72 CG2 VAL A 8 -8.445 -14.647 -8.147 1.00 0.00 C ATOM 0 H VAL A 8 -7.582 -14.302 -10.888 1.00 0.00 H new ATOM 0 HA VAL A 8 -6.648 -12.090 -9.567 1.00 0.00 H new ATOM 0 HB VAL A 8 -8.298 -12.529 -7.936 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -10.262 -13.013 -9.352 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -9.122 -11.904 -10.150 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -9.182 -13.617 -10.631 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -9.454 -14.702 -7.737 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -8.328 -15.401 -8.926 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -7.721 -14.830 -7.353 1.00 0.00 H new ATOM 82 N PRO A 9 -5.376 -12.599 -7.424 1.00 0.00 N ATOM 83 CA PRO A 9 -4.353 -12.848 -6.423 1.00 0.00 C ATOM 84 C PRO A 9 -4.876 -13.774 -5.323 1.00 0.00 C ATOM 85 O PRO A 9 -6.082 -13.851 -5.093 1.00 0.00 O ATOM 86 CB PRO A 9 -3.964 -11.472 -5.907 1.00 0.00 C ATOM 87 CG PRO A 9 -5.103 -10.544 -6.297 1.00 0.00 C ATOM 88 CD PRO A 9 -5.965 -11.267 -7.319 1.00 0.00 C ATOM 0 HA PRO A 9 -3.484 -13.366 -6.829 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -3.824 -11.485 -4.826 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -3.023 -11.142 -6.347 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -5.694 -10.276 -5.421 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -4.713 -9.616 -6.715 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -7.005 -11.318 -6.995 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -5.955 -10.753 -8.280 1.00 0.00 H new ATOM 96 N GLU A 10 -3.942 -14.453 -4.672 1.00 0.00 N ATOM 97 CA GLU A 10 -4.294 -15.370 -3.602 1.00 0.00 C ATOM 98 C GLU A 10 -3.647 -14.927 -2.288 1.00 0.00 C ATOM 99 O GLU A 10 -2.868 -15.670 -1.694 1.00 0.00 O ATOM 100 CB GLU A 10 -3.892 -16.804 -3.954 1.00 0.00 C ATOM 101 CG GLU A 10 -2.376 -16.923 -4.120 1.00 0.00 C ATOM 102 CD GLU A 10 -2.011 -18.142 -4.970 1.00 0.00 C ATOM 103 OE1 GLU A 10 -1.945 -19.244 -4.384 1.00 0.00 O ATOM 104 OE2 GLU A 10 -1.808 -17.944 -6.188 1.00 0.00 O ATOM 0 H GLU A 10 -2.943 -14.386 -4.865 1.00 0.00 H new ATOM 0 HA GLU A 10 -5.377 -15.351 -3.476 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -4.230 -17.483 -3.171 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -4.387 -17.109 -4.876 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -1.986 -16.019 -4.588 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -1.905 -17.004 -3.141 1.00 0.00 H new ATOM 111 N LYS A 11 -3.993 -13.717 -1.874 1.00 0.00 N ATOM 112 CA LYS A 11 -3.455 -13.165 -0.642 1.00 0.00 C ATOM 113 C LYS A 11 -1.927 -13.230 -0.683 1.00 0.00 C ATOM 114 O LYS A 11 -1.352 -13.824 -1.594 1.00 0.00 O ATOM 115 CB LYS A 11 -4.068 -13.867 0.571 1.00 0.00 C ATOM 116 CG LYS A 11 -5.582 -13.648 0.625 1.00 0.00 C ATOM 117 CD LYS A 11 -6.001 -13.045 1.967 1.00 0.00 C ATOM 118 CE LYS A 11 -7.516 -12.840 2.027 1.00 0.00 C ATOM 119 NZ LYS A 11 -8.186 -14.068 2.510 1.00 0.00 N ATOM 0 H LYS A 11 -4.639 -13.103 -2.370 1.00 0.00 H new ATOM 0 HA LYS A 11 -3.727 -12.114 -0.545 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -3.853 -14.935 0.525 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -3.609 -13.489 1.485 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -5.887 -12.986 -0.186 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -6.096 -14.597 0.472 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -5.687 -13.701 2.779 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -5.495 -12.091 2.115 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -7.750 -12.006 2.689 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -7.893 -12.578 1.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -9.214 -13.912 2.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -7.977 -14.855 1.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -7.839 -14.301 3.462 1.00 0.00 H new ATOM 133 N PHE A 12 -1.313 -12.611 0.314 1.00 0.00 N ATOM 134 CA PHE A 12 0.137 -12.591 0.403 1.00 0.00 C ATOM 135 C PHE A 12 0.594 -12.206 1.812 1.00 0.00 C ATOM 136 O PHE A 12 -0.041 -11.385 2.472 1.00 0.00 O ATOM 137 CB PHE A 12 0.631 -11.534 -0.587 1.00 0.00 C ATOM 138 CG PHE A 12 0.058 -11.687 -1.998 1.00 0.00 C ATOM 139 CD1 PHE A 12 0.568 -12.625 -2.841 1.00 0.00 C ATOM 140 CD2 PHE A 12 -0.960 -10.885 -2.409 1.00 0.00 C ATOM 141 CE1 PHE A 12 0.036 -12.767 -4.150 1.00 0.00 C ATOM 142 CE2 PHE A 12 -1.492 -11.027 -3.718 1.00 0.00 C ATOM 143 CZ PHE A 12 -0.982 -11.965 -4.561 1.00 0.00 C ATOM 0 H PHE A 12 -1.793 -12.119 1.068 1.00 0.00 H new ATOM 0 HA PHE A 12 0.538 -13.579 0.177 1.00 0.00 H new ATOM 0 HB2 PHE A 12 0.373 -10.546 -0.206 1.00 0.00 H new ATOM 0 HB3 PHE A 12 1.719 -11.581 -0.640 1.00 0.00 H new ATOM 0 HD1 PHE A 12 1.377 -13.262 -2.515 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -1.364 -10.140 -1.740 1.00 0.00 H new ATOM 0 HE1 PHE A 12 0.440 -13.512 -4.819 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -2.301 -10.390 -4.044 1.00 0.00 H new ATOM 0 HZ PHE A 12 -1.386 -12.073 -5.557 1.00 0.00 H new ATOM 153 N LYS A 13 1.693 -12.817 2.230 1.00 0.00 N ATOM 154 CA LYS A 13 2.243 -12.549 3.548 1.00 0.00 C ATOM 155 C LYS A 13 2.971 -11.204 3.528 1.00 0.00 C ATOM 156 O LYS A 13 3.513 -10.803 2.499 1.00 0.00 O ATOM 157 CB LYS A 13 3.118 -13.716 4.010 1.00 0.00 C ATOM 158 CG LYS A 13 2.267 -14.830 4.623 1.00 0.00 C ATOM 159 CD LYS A 13 3.001 -15.505 5.784 1.00 0.00 C ATOM 160 CE LYS A 13 2.023 -16.259 6.687 1.00 0.00 C ATOM 161 NZ LYS A 13 1.700 -15.454 7.886 1.00 0.00 N ATOM 0 H LYS A 13 2.217 -13.497 1.679 1.00 0.00 H new ATOM 0 HA LYS A 13 1.444 -12.468 4.285 1.00 0.00 H new ATOM 0 HB2 LYS A 13 3.683 -14.108 3.165 1.00 0.00 H new ATOM 0 HB3 LYS A 13 3.844 -13.363 4.742 1.00 0.00 H new ATOM 0 HG2 LYS A 13 1.322 -14.418 4.976 1.00 0.00 H new ATOM 0 HG3 LYS A 13 2.027 -15.571 3.860 1.00 0.00 H new ATOM 0 HD2 LYS A 13 3.748 -16.196 5.394 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.535 -14.754 6.367 1.00 0.00 H new ATOM 0 HE2 LYS A 13 1.110 -16.484 6.136 1.00 0.00 H new ATOM 0 HE3 LYS A 13 2.457 -17.212 6.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 1.131 -16.024 8.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 2.581 -15.160 8.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 1.160 -14.611 7.603 1.00 0.00 H new ATOM 175 N LEU A 14 2.961 -10.544 4.677 1.00 0.00 N ATOM 176 CA LEU A 14 3.614 -9.253 4.804 1.00 0.00 C ATOM 177 C LEU A 14 4.976 -9.439 5.475 1.00 0.00 C ATOM 178 O LEU A 14 5.173 -10.385 6.236 1.00 0.00 O ATOM 179 CB LEU A 14 2.702 -8.260 5.528 1.00 0.00 C ATOM 180 CG LEU A 14 1.592 -7.630 4.685 1.00 0.00 C ATOM 181 CD1 LEU A 14 0.212 -8.063 5.184 1.00 0.00 C ATOM 182 CD2 LEU A 14 1.734 -6.108 4.640 1.00 0.00 C ATOM 0 H LEU A 14 2.511 -10.880 5.528 1.00 0.00 H new ATOM 0 HA LEU A 14 3.799 -8.821 3.820 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.243 -8.770 6.375 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.320 -7.460 5.935 1.00 0.00 H new ATOM 0 HG LEU A 14 1.693 -7.992 3.662 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.559 -7.601 4.568 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.126 -9.148 5.120 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.085 -7.749 6.220 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.932 -5.686 4.034 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.674 -5.707 5.652 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.697 -5.845 4.202 1.00 0.00 H new ATOM 194 N SER A 15 5.881 -8.521 5.168 1.00 0.00 N ATOM 195 CA SER A 15 7.219 -8.572 5.732 1.00 0.00 C ATOM 196 C SER A 15 7.222 -7.952 7.131 1.00 0.00 C ATOM 197 O SER A 15 6.240 -7.336 7.543 1.00 0.00 O ATOM 198 CB SER A 15 8.225 -7.851 4.831 1.00 0.00 C ATOM 199 OG SER A 15 8.630 -8.660 3.730 1.00 0.00 O ATOM 0 H SER A 15 5.714 -7.738 4.536 1.00 0.00 H new ATOM 0 HA SER A 15 7.519 -9.617 5.804 1.00 0.00 H new ATOM 0 HB2 SER A 15 7.782 -6.927 4.459 1.00 0.00 H new ATOM 0 HB3 SER A 15 9.101 -7.571 5.417 1.00 0.00 H new ATOM 0 HG SER A 15 9.270 -8.164 3.178 1.00 0.00 H new ATOM 205 N THR A 16 8.336 -8.138 7.824 1.00 0.00 N ATOM 206 CA THR A 16 8.479 -7.605 9.168 1.00 0.00 C ATOM 207 C THR A 16 8.287 -6.087 9.163 1.00 0.00 C ATOM 208 O THR A 16 7.664 -5.534 10.068 1.00 0.00 O ATOM 209 CB THR A 16 9.842 -8.043 9.708 1.00 0.00 C ATOM 210 OG1 THR A 16 9.691 -9.442 9.938 1.00 0.00 O ATOM 211 CG2 THR A 16 10.135 -7.467 11.094 1.00 0.00 C ATOM 0 H THR A 16 9.148 -8.650 7.480 1.00 0.00 H new ATOM 0 HA THR A 16 7.709 -7.996 9.833 1.00 0.00 H new ATOM 0 HB THR A 16 10.624 -7.734 9.014 1.00 0.00 H new ATOM 0 HG1 THR A 16 10.530 -9.808 10.288 1.00 0.00 H new ATOM 0 HG21 THR A 16 11.114 -7.809 11.431 1.00 0.00 H new ATOM 0 HG22 THR A 16 10.128 -6.378 11.044 1.00 0.00 H new ATOM 0 HG23 THR A 16 9.372 -7.803 11.796 1.00 0.00 H new ATOM 219 N ALA A 17 8.834 -5.457 8.134 1.00 0.00 N ATOM 220 CA ALA A 17 8.731 -4.014 8.000 1.00 0.00 C ATOM 221 C ALA A 17 7.329 -3.651 7.505 1.00 0.00 C ATOM 222 O ALA A 17 6.692 -2.746 8.042 1.00 0.00 O ATOM 223 CB ALA A 17 9.829 -3.508 7.062 1.00 0.00 C ATOM 0 H ALA A 17 9.350 -5.919 7.385 1.00 0.00 H new ATOM 0 HA ALA A 17 8.877 -3.528 8.965 1.00 0.00 H new ATOM 0 HB1 ALA A 17 9.751 -2.425 6.962 1.00 0.00 H new ATOM 0 HB2 ALA A 17 10.805 -3.765 7.473 1.00 0.00 H new ATOM 0 HB3 ALA A 17 9.713 -3.972 6.083 1.00 0.00 H new ATOM 229 N LEU A 18 6.890 -4.376 6.486 1.00 0.00 N ATOM 230 CA LEU A 18 5.576 -4.142 5.913 1.00 0.00 C ATOM 231 C LEU A 18 4.508 -4.376 6.984 1.00 0.00 C ATOM 232 O LEU A 18 3.454 -3.743 6.963 1.00 0.00 O ATOM 233 CB LEU A 18 5.381 -4.990 4.655 1.00 0.00 C ATOM 234 CG LEU A 18 4.650 -4.311 3.494 1.00 0.00 C ATOM 235 CD1 LEU A 18 5.411 -3.073 3.017 1.00 0.00 C ATOM 236 CD2 LEU A 18 4.392 -5.300 2.356 1.00 0.00 C ATOM 0 H LEU A 18 7.421 -5.126 6.043 1.00 0.00 H new ATOM 0 HA LEU A 18 5.481 -3.106 5.589 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.361 -5.312 4.303 1.00 0.00 H new ATOM 0 HB3 LEU A 18 4.830 -5.889 4.929 1.00 0.00 H new ATOM 0 HG LEU A 18 3.678 -3.973 3.853 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.871 -2.609 2.192 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.500 -2.362 3.838 1.00 0.00 H new ATOM 0 HD13 LEU A 18 6.406 -3.365 2.681 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.872 -4.792 1.544 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.342 -5.690 1.991 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.778 -6.123 2.722 1.00 0.00 H new ATOM 248 N MET A 19 4.818 -5.287 7.894 1.00 0.00 N ATOM 249 CA MET A 19 3.898 -5.613 8.970 1.00 0.00 C ATOM 250 C MET A 19 3.826 -4.477 9.992 1.00 0.00 C ATOM 251 O MET A 19 2.839 -4.350 10.716 1.00 0.00 O ATOM 252 CB MET A 19 4.359 -6.896 9.665 1.00 0.00 C ATOM 253 CG MET A 19 3.888 -8.134 8.898 1.00 0.00 C ATOM 254 SD MET A 19 5.111 -9.429 9.019 1.00 0.00 S ATOM 255 CE MET A 19 4.986 -9.811 10.758 1.00 0.00 C ATOM 0 H MET A 19 5.694 -5.810 7.908 1.00 0.00 H new ATOM 0 HA MET A 19 2.905 -5.757 8.543 1.00 0.00 H new ATOM 0 HB2 MET A 19 5.446 -6.902 9.741 1.00 0.00 H new ATOM 0 HB3 MET A 19 3.968 -6.923 10.682 1.00 0.00 H new ATOM 0 HG2 MET A 19 2.937 -8.482 9.301 1.00 0.00 H new ATOM 0 HG3 MET A 19 3.717 -7.881 7.852 1.00 0.00 H new ATOM 0 HE1 MET A 19 5.566 -10.708 10.976 1.00 0.00 H new ATOM 0 HE2 MET A 19 5.374 -8.977 11.343 1.00 0.00 H new ATOM 0 HE3 MET A 19 3.942 -9.982 11.019 1.00 0.00 H new ATOM 265 N ASP A 20 4.884 -3.680 10.019 1.00 0.00 N ATOM 266 CA ASP A 20 4.954 -2.559 10.941 1.00 0.00 C ATOM 267 C ASP A 20 4.565 -1.275 10.205 1.00 0.00 C ATOM 268 O ASP A 20 4.531 -0.200 10.801 1.00 0.00 O ATOM 269 CB ASP A 20 6.372 -2.381 11.486 1.00 0.00 C ATOM 270 CG ASP A 20 6.488 -2.423 13.011 1.00 0.00 C ATOM 271 OD1 ASP A 20 5.643 -1.773 13.663 1.00 0.00 O ATOM 272 OD2 ASP A 20 7.420 -3.105 13.490 1.00 0.00 O ATOM 0 H ASP A 20 5.700 -3.788 9.417 1.00 0.00 H new ATOM 0 HA ASP A 20 4.273 -2.760 11.768 1.00 0.00 H new ATOM 0 HB2 ASP A 20 7.007 -3.161 11.067 1.00 0.00 H new ATOM 0 HB3 ASP A 20 6.764 -1.427 11.133 1.00 0.00 H new ATOM 277 N VAL A 21 4.283 -1.430 8.920 1.00 0.00 N ATOM 278 CA VAL A 21 3.898 -0.296 8.096 1.00 0.00 C ATOM 279 C VAL A 21 2.376 -0.149 8.117 1.00 0.00 C ATOM 280 O VAL A 21 1.856 0.966 8.114 1.00 0.00 O ATOM 281 CB VAL A 21 4.464 -0.459 6.684 1.00 0.00 C ATOM 282 CG1 VAL A 21 3.851 0.564 5.726 1.00 0.00 C ATOM 283 CG2 VAL A 21 5.991 -0.359 6.690 1.00 0.00 C ATOM 0 H VAL A 21 4.313 -2.323 8.429 1.00 0.00 H new ATOM 0 HA VAL A 21 4.319 0.627 8.496 1.00 0.00 H new ATOM 0 HB VAL A 21 4.195 -1.454 6.328 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.271 0.426 4.729 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.771 0.425 5.687 1.00 0.00 H new ATOM 0 HG13 VAL A 21 4.074 1.571 6.078 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.367 -0.478 5.674 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.290 0.616 7.076 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.404 -1.143 7.324 1.00 0.00 H new ATOM 293 N LEU A 22 1.703 -1.291 8.138 1.00 0.00 N ATOM 294 CA LEU A 22 0.250 -1.303 8.159 1.00 0.00 C ATOM 295 C LEU A 22 -0.231 -1.996 9.435 1.00 0.00 C ATOM 296 O LEU A 22 -0.967 -1.408 10.226 1.00 0.00 O ATOM 297 CB LEU A 22 -0.299 -1.928 6.875 1.00 0.00 C ATOM 298 CG LEU A 22 0.434 -1.561 5.583 1.00 0.00 C ATOM 299 CD1 LEU A 22 0.274 -2.659 4.530 1.00 0.00 C ATOM 300 CD2 LEU A 22 -0.022 -0.196 5.063 1.00 0.00 C ATOM 0 H LEU A 22 2.137 -2.214 8.141 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.140 -0.285 8.182 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.279 -3.012 6.985 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.344 -1.637 6.771 1.00 0.00 H new ATOM 0 HG LEU A 22 1.498 -1.482 5.805 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.805 -2.372 3.622 1.00 0.00 H new ATOM 0 HD12 LEU A 22 0.687 -3.593 4.912 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.784 -2.795 4.304 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.514 0.041 4.144 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.093 -0.223 4.862 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.187 0.567 5.812 1.00 0.00 H new ATOM 312 N GLY A 23 0.205 -3.237 9.596 1.00 0.00 N ATOM 313 CA GLY A 23 -0.172 -4.017 10.763 1.00 0.00 C ATOM 314 C GLY A 23 -0.967 -5.260 10.358 1.00 0.00 C ATOM 315 O GLY A 23 -1.855 -5.698 11.088 1.00 0.00 O ATOM 0 H GLY A 23 0.816 -3.722 8.938 1.00 0.00 H new ATOM 0 HA2 GLY A 23 0.722 -4.315 11.310 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -0.769 -3.403 11.438 1.00 0.00 H new ATOM 319 N ILE A 24 -0.619 -5.793 9.197 1.00 0.00 N ATOM 320 CA ILE A 24 -1.289 -6.977 8.686 1.00 0.00 C ATOM 321 C ILE A 24 -0.280 -8.122 8.578 1.00 0.00 C ATOM 322 O ILE A 24 0.928 -7.896 8.621 1.00 0.00 O ATOM 323 CB ILE A 24 -2.005 -6.663 7.371 1.00 0.00 C ATOM 324 CG1 ILE A 24 -1.289 -5.545 6.611 1.00 0.00 C ATOM 325 CG2 ILE A 24 -3.480 -6.336 7.615 1.00 0.00 C ATOM 326 CD1 ILE A 24 -1.796 -5.449 5.170 1.00 0.00 C ATOM 0 H ILE A 24 0.118 -5.427 8.595 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.068 -7.301 9.376 1.00 0.00 H new ATOM 0 HB ILE A 24 -1.972 -7.553 6.742 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -1.448 -4.595 7.120 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -0.215 -5.731 6.611 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -3.966 -6.117 6.664 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -3.969 -7.190 8.084 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -3.557 -5.469 8.271 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -1.271 -4.647 4.652 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -1.613 -6.393 4.656 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -2.866 -5.239 5.174 1.00 0.00 H new ATOM 338 N GLU A 25 -0.813 -9.327 8.439 1.00 0.00 N ATOM 339 CA GLU A 25 0.025 -10.508 8.324 1.00 0.00 C ATOM 340 C GLU A 25 -0.267 -11.242 7.014 1.00 0.00 C ATOM 341 O GLU A 25 0.647 -11.745 6.362 1.00 0.00 O ATOM 342 CB GLU A 25 -0.166 -11.435 9.526 1.00 0.00 C ATOM 343 CG GLU A 25 1.095 -12.263 9.786 1.00 0.00 C ATOM 344 CD GLU A 25 1.256 -12.563 11.278 1.00 0.00 C ATOM 345 OE1 GLU A 25 0.533 -13.464 11.757 1.00 0.00 O ATOM 346 OE2 GLU A 25 2.098 -11.886 11.905 1.00 0.00 O ATOM 0 H GLU A 25 -1.816 -9.511 8.403 1.00 0.00 H new ATOM 0 HA GLU A 25 1.067 -10.189 8.314 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -0.407 -10.845 10.410 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -1.011 -12.100 9.347 1.00 0.00 H new ATOM 0 HG2 GLU A 25 1.043 -13.197 9.227 1.00 0.00 H new ATOM 0 HG3 GLU A 25 1.970 -11.723 9.423 1.00 0.00 H new ATOM 353 N VAL A 26 -1.546 -11.280 6.667 1.00 0.00 N ATOM 354 CA VAL A 26 -1.970 -11.944 5.447 1.00 0.00 C ATOM 355 C VAL A 26 -3.096 -11.137 4.797 1.00 0.00 C ATOM 356 O VAL A 26 -4.250 -11.226 5.215 1.00 0.00 O ATOM 357 CB VAL A 26 -2.369 -13.390 5.749 1.00 0.00 C ATOM 358 CG1 VAL A 26 -2.620 -14.171 4.457 1.00 0.00 C ATOM 359 CG2 VAL A 26 -1.311 -14.082 6.611 1.00 0.00 C ATOM 0 H VAL A 26 -2.301 -10.862 7.210 1.00 0.00 H new ATOM 0 HA VAL A 26 -1.148 -11.990 4.732 1.00 0.00 H new ATOM 0 HB VAL A 26 -3.301 -13.369 6.314 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.902 -15.195 4.700 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -3.425 -13.697 3.896 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.712 -14.178 3.854 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.619 -15.108 6.811 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.357 -14.086 6.083 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.202 -13.546 7.554 1.00 0.00 H new ATOM 369 N GLU A 27 -2.722 -10.367 3.786 1.00 0.00 N ATOM 370 CA GLU A 27 -3.685 -9.544 3.075 1.00 0.00 C ATOM 371 C GLU A 27 -3.654 -9.863 1.579 1.00 0.00 C ATOM 372 O GLU A 27 -3.193 -10.931 1.178 1.00 0.00 O ATOM 373 CB GLU A 27 -3.427 -8.057 3.324 1.00 0.00 C ATOM 374 CG GLU A 27 -4.733 -7.314 3.613 1.00 0.00 C ATOM 375 CD GLU A 27 -5.492 -7.970 4.768 1.00 0.00 C ATOM 376 OE1 GLU A 27 -4.810 -8.557 5.636 1.00 0.00 O ATOM 377 OE2 GLU A 27 -6.738 -7.870 4.758 1.00 0.00 O ATOM 0 H GLU A 27 -1.764 -10.296 3.442 1.00 0.00 H new ATOM 0 HA GLU A 27 -4.680 -9.774 3.455 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -2.744 -7.939 4.165 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -2.940 -7.618 2.453 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -4.517 -6.274 3.859 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -5.357 -7.308 2.720 1.00 0.00 H new ATOM 384 N THR A 28 -4.151 -8.918 0.794 1.00 0.00 N ATOM 385 CA THR A 28 -4.185 -9.085 -0.649 1.00 0.00 C ATOM 386 C THR A 28 -3.210 -8.117 -1.321 1.00 0.00 C ATOM 387 O THR A 28 -2.353 -7.534 -0.659 1.00 0.00 O ATOM 388 CB THR A 28 -5.633 -8.908 -1.111 1.00 0.00 C ATOM 389 OG1 THR A 28 -5.965 -7.582 -0.708 1.00 0.00 O ATOM 390 CG2 THR A 28 -6.609 -9.790 -0.330 1.00 0.00 C ATOM 0 H THR A 28 -4.533 -8.034 1.130 1.00 0.00 H new ATOM 0 HA THR A 28 -3.855 -10.082 -0.940 1.00 0.00 H new ATOM 0 HB THR A 28 -5.706 -9.139 -2.174 1.00 0.00 H new ATOM 0 HG1 THR A 28 -6.781 -7.295 -1.168 1.00 0.00 H new ATOM 0 HG21 THR A 28 -7.622 -9.626 -0.697 1.00 0.00 H new ATOM 0 HG22 THR A 28 -6.340 -10.838 -0.464 1.00 0.00 H new ATOM 0 HG23 THR A 28 -6.562 -9.536 0.729 1.00 0.00 H new ATOM 398 N ARG A 29 -3.372 -7.977 -2.628 1.00 0.00 N ATOM 399 CA ARG A 29 -2.516 -7.090 -3.398 1.00 0.00 C ATOM 400 C ARG A 29 -3.000 -5.644 -3.270 1.00 0.00 C ATOM 401 O ARG A 29 -2.198 -4.733 -3.068 1.00 0.00 O ATOM 402 CB ARG A 29 -2.499 -7.486 -4.875 1.00 0.00 C ATOM 403 CG ARG A 29 -1.120 -7.242 -5.492 1.00 0.00 C ATOM 404 CD ARG A 29 -1.148 -7.469 -7.005 1.00 0.00 C ATOM 405 NE ARG A 29 -0.212 -8.555 -7.372 1.00 0.00 N ATOM 406 CZ ARG A 29 1.111 -8.392 -7.510 1.00 0.00 C ATOM 407 NH1 ARG A 29 1.662 -7.187 -7.313 1.00 0.00 N ATOM 408 NH2 ARG A 29 1.882 -9.435 -7.845 1.00 0.00 N ATOM 0 H ARG A 29 -4.084 -8.463 -3.174 1.00 0.00 H new ATOM 0 HA ARG A 29 -1.505 -7.176 -3.000 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -2.766 -8.538 -4.976 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -3.251 -6.913 -5.418 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -0.798 -6.223 -5.280 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -0.390 -7.909 -5.034 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -2.158 -7.725 -7.324 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -0.874 -6.551 -7.524 1.00 0.00 H new ATOM 0 HE ARG A 29 -0.598 -9.486 -7.530 1.00 0.00 H new ATOM 0 HH11 ARG A 29 1.075 -6.393 -7.058 1.00 0.00 H new ATOM 0 HH12 ARG A 29 2.669 -7.063 -7.418 1.00 0.00 H new ATOM 0 HH21 ARG A 29 1.462 -10.352 -7.995 1.00 0.00 H new ATOM 0 HH22 ARG A 29 2.889 -9.312 -7.950 1.00 0.00 H new ATOM 422 N PRO A 30 -4.343 -5.473 -3.397 1.00 0.00 N ATOM 423 CA PRO A 30 -4.943 -4.154 -3.298 1.00 0.00 C ATOM 424 C PRO A 30 -4.985 -3.678 -1.845 1.00 0.00 C ATOM 425 O PRO A 30 -4.526 -2.580 -1.534 1.00 0.00 O ATOM 426 CB PRO A 30 -6.324 -4.302 -3.915 1.00 0.00 C ATOM 427 CG PRO A 30 -6.624 -5.792 -3.913 1.00 0.00 C ATOM 428 CD PRO A 30 -5.323 -6.529 -3.637 1.00 0.00 C ATOM 0 HA PRO A 30 -4.368 -3.390 -3.821 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -7.070 -3.753 -3.340 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -6.344 -3.901 -4.928 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -7.367 -6.031 -3.152 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -7.040 -6.099 -4.872 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -5.416 -7.187 -2.773 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -5.034 -7.153 -4.483 1.00 0.00 H new ATOM 436 N ARG A 31 -5.540 -4.528 -0.993 1.00 0.00 N ATOM 437 CA ARG A 31 -5.648 -4.208 0.420 1.00 0.00 C ATOM 438 C ARG A 31 -4.362 -3.543 0.913 1.00 0.00 C ATOM 439 O ARG A 31 -4.405 -2.475 1.521 1.00 0.00 O ATOM 440 CB ARG A 31 -5.916 -5.465 1.250 1.00 0.00 C ATOM 441 CG ARG A 31 -7.372 -5.915 1.110 1.00 0.00 C ATOM 442 CD ARG A 31 -8.119 -5.777 2.437 1.00 0.00 C ATOM 443 NE ARG A 31 -8.639 -4.399 2.584 1.00 0.00 N ATOM 444 CZ ARG A 31 -9.291 -3.953 3.666 1.00 0.00 C ATOM 445 NH1 ARG A 31 -9.508 -4.774 4.703 1.00 0.00 N ATOM 446 NH2 ARG A 31 -9.728 -2.687 3.712 1.00 0.00 N ATOM 0 H ARG A 31 -5.920 -5.438 -1.254 1.00 0.00 H new ATOM 0 HA ARG A 31 -6.485 -3.521 0.542 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -5.251 -6.266 0.928 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -5.692 -5.267 2.298 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -7.869 -5.318 0.345 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -7.405 -6.952 0.776 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -8.942 -6.491 2.477 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -7.452 -6.013 3.266 1.00 0.00 H new ATOM 0 HE ARG A 31 -8.492 -3.748 1.813 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -9.177 -5.738 4.668 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -10.004 -4.435 5.527 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -9.564 -2.062 2.923 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -10.224 -2.348 4.536 1.00 0.00 H new ATOM 460 N ILE A 32 -3.248 -4.203 0.634 1.00 0.00 N ATOM 461 CA ILE A 32 -1.951 -3.690 1.042 1.00 0.00 C ATOM 462 C ILE A 32 -1.716 -2.329 0.384 1.00 0.00 C ATOM 463 O ILE A 32 -1.595 -1.316 1.071 1.00 0.00 O ATOM 464 CB ILE A 32 -0.853 -4.713 0.747 1.00 0.00 C ATOM 465 CG1 ILE A 32 -1.182 -6.068 1.377 1.00 0.00 C ATOM 466 CG2 ILE A 32 0.516 -4.192 1.191 1.00 0.00 C ATOM 467 CD1 ILE A 32 -0.236 -7.156 0.864 1.00 0.00 C ATOM 0 H ILE A 32 -3.216 -5.089 0.130 1.00 0.00 H new ATOM 0 HA ILE A 32 -1.926 -3.532 2.120 1.00 0.00 H new ATOM 0 HB ILE A 32 -0.807 -4.862 -0.332 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -1.105 -5.997 2.462 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -2.212 -6.339 1.147 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.279 -4.939 0.970 1.00 0.00 H new ATOM 0 HG22 ILE A 32 0.745 -3.270 0.657 1.00 0.00 H new ATOM 0 HG23 ILE A 32 0.500 -3.996 2.263 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.492 -8.109 1.328 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.333 -7.242 -0.218 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.791 -6.894 1.117 1.00 0.00 H new ATOM 479 N ILE A 33 -1.659 -2.349 -0.940 1.00 0.00 N ATOM 480 CA ILE A 33 -1.441 -1.129 -1.699 1.00 0.00 C ATOM 481 C ILE A 33 -2.251 0.007 -1.072 1.00 0.00 C ATOM 482 O ILE A 33 -1.715 1.081 -0.803 1.00 0.00 O ATOM 483 CB ILE A 33 -1.745 -1.358 -3.180 1.00 0.00 C ATOM 484 CG1 ILE A 33 -0.752 -2.343 -3.799 1.00 0.00 C ATOM 485 CG2 ILE A 33 -1.788 -0.032 -3.942 1.00 0.00 C ATOM 486 CD1 ILE A 33 -1.251 -2.847 -5.155 1.00 0.00 C ATOM 0 H ILE A 33 -1.760 -3.191 -1.507 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.392 -0.835 -1.656 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.735 -1.808 -3.259 1.00 0.00 H new ATOM 0 HG12 ILE A 33 0.217 -1.859 -3.921 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.604 -3.187 -3.125 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -2.006 -0.223 -4.993 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -2.565 0.605 -3.520 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.823 0.468 -3.857 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.526 -3.546 -5.573 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -2.208 -3.352 -5.026 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.374 -2.003 -5.834 1.00 0.00 H new ATOM 498 N ALA A 34 -3.529 -0.268 -0.858 1.00 0.00 N ATOM 499 CA ALA A 34 -4.418 0.718 -0.268 1.00 0.00 C ATOM 500 C ALA A 34 -3.960 1.023 1.159 1.00 0.00 C ATOM 501 O ALA A 34 -3.799 2.185 1.528 1.00 0.00 O ATOM 502 CB ALA A 34 -5.858 0.203 -0.321 1.00 0.00 C ATOM 0 H ALA A 34 -3.970 -1.160 -1.083 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.384 1.651 -0.831 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -6.525 0.942 0.122 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -6.145 0.030 -1.358 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -5.931 -0.731 0.236 1.00 0.00 H new ATOM 508 N ALA A 35 -3.763 -0.041 1.924 1.00 0.00 N ATOM 509 CA ALA A 35 -3.327 0.098 3.303 1.00 0.00 C ATOM 510 C ALA A 35 -2.199 1.129 3.374 1.00 0.00 C ATOM 511 O ALA A 35 -2.088 1.865 4.354 1.00 0.00 O ATOM 512 CB ALA A 35 -2.902 -1.269 3.844 1.00 0.00 C ATOM 0 H ALA A 35 -3.897 -1.004 1.615 1.00 0.00 H new ATOM 0 HA ALA A 35 -4.143 0.458 3.930 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -2.575 -1.165 4.879 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -3.746 -1.957 3.798 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -2.082 -1.660 3.242 1.00 0.00 H new ATOM 518 N ILE A 36 -1.391 1.150 2.324 1.00 0.00 N ATOM 519 CA ILE A 36 -0.277 2.079 2.256 1.00 0.00 C ATOM 520 C ILE A 36 -0.779 3.437 1.760 1.00 0.00 C ATOM 521 O ILE A 36 -0.315 4.480 2.218 1.00 0.00 O ATOM 522 CB ILE A 36 0.856 1.496 1.408 1.00 0.00 C ATOM 523 CG1 ILE A 36 1.444 0.245 2.065 1.00 0.00 C ATOM 524 CG2 ILE A 36 1.927 2.551 1.123 1.00 0.00 C ATOM 525 CD1 ILE A 36 2.417 -0.464 1.121 1.00 0.00 C ATOM 0 H ILE A 36 -1.486 0.538 1.513 1.00 0.00 H new ATOM 0 HA ILE A 36 0.146 2.238 3.248 1.00 0.00 H new ATOM 0 HB ILE A 36 0.441 1.191 0.447 1.00 0.00 H new ATOM 0 HG12 ILE A 36 1.960 0.521 2.985 1.00 0.00 H new ATOM 0 HG13 ILE A 36 0.640 -0.436 2.343 1.00 0.00 H new ATOM 0 HG21 ILE A 36 2.720 2.110 0.519 1.00 0.00 H new ATOM 0 HG22 ILE A 36 1.481 3.386 0.583 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.344 2.909 2.064 1.00 0.00 H new ATOM 0 HD11 ILE A 36 2.820 -1.349 1.612 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.892 -0.760 0.213 1.00 0.00 H new ATOM 0 HD13 ILE A 36 3.233 0.212 0.864 1.00 0.00 H new ATOM 537 N TRP A 37 -1.722 3.379 0.831 1.00 0.00 N ATOM 538 CA TRP A 37 -2.293 4.591 0.268 1.00 0.00 C ATOM 539 C TRP A 37 -2.912 5.397 1.412 1.00 0.00 C ATOM 540 O TRP A 37 -2.593 6.571 1.593 1.00 0.00 O ATOM 541 CB TRP A 37 -3.293 4.262 -0.842 1.00 0.00 C ATOM 542 CG TRP A 37 -2.647 3.741 -2.127 1.00 0.00 C ATOM 543 CD1 TRP A 37 -1.454 3.147 -2.269 1.00 0.00 C ATOM 544 CD2 TRP A 37 -3.212 3.791 -3.454 1.00 0.00 C ATOM 545 NE1 TRP A 37 -1.209 2.813 -3.585 1.00 0.00 N ATOM 546 CE2 TRP A 37 -2.312 3.217 -4.329 1.00 0.00 C ATOM 547 CE3 TRP A 37 -4.442 4.305 -3.901 1.00 0.00 C ATOM 548 CZ2 TRP A 37 -2.547 3.101 -5.704 1.00 0.00 C ATOM 549 CZ3 TRP A 37 -4.661 4.183 -5.278 1.00 0.00 C ATOM 550 CH2 TRP A 37 -3.766 3.607 -6.172 1.00 0.00 C ATOM 0 H TRP A 37 -2.105 2.512 0.454 1.00 0.00 H new ATOM 0 HA TRP A 37 -1.521 5.197 -0.207 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -3.997 3.516 -0.473 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -3.870 5.157 -1.075 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -0.770 2.954 -1.455 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -0.373 2.354 -3.946 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -5.161 4.758 -3.235 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -1.827 2.646 -6.368 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -5.591 4.563 -5.674 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -4.010 3.550 -7.223 1.00 0.00 H new ATOM 561 N HIS A 38 -3.788 4.735 2.154 1.00 0.00 N ATOM 562 CA HIS A 38 -4.455 5.375 3.274 1.00 0.00 C ATOM 563 C HIS A 38 -3.414 5.831 4.299 1.00 0.00 C ATOM 564 O HIS A 38 -3.222 7.029 4.503 1.00 0.00 O ATOM 565 CB HIS A 38 -5.514 4.450 3.877 1.00 0.00 C ATOM 566 CG HIS A 38 -5.963 4.850 5.262 1.00 0.00 C ATOM 567 ND1 HIS A 38 -6.589 3.972 6.130 1.00 0.00 N ATOM 568 CD2 HIS A 38 -5.869 6.040 5.920 1.00 0.00 C ATOM 569 CE1 HIS A 38 -6.856 4.616 7.256 1.00 0.00 C ATOM 570 NE2 HIS A 38 -6.409 5.898 7.124 1.00 0.00 N ATOM 0 H HIS A 38 -4.051 3.761 2.001 1.00 0.00 H new ATOM 0 HA HIS A 38 -4.986 6.262 2.927 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -6.381 4.429 3.217 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -5.117 3.436 3.914 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -5.429 6.945 5.528 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -7.342 4.199 8.126 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -6.478 6.627 7.834 1.00 0.00 H new ATOM 578 N TYR A 39 -2.770 4.851 4.916 1.00 0.00 N ATOM 579 CA TYR A 39 -1.754 5.137 5.915 1.00 0.00 C ATOM 580 C TYR A 39 -0.922 6.358 5.517 1.00 0.00 C ATOM 581 O TYR A 39 -0.841 7.330 6.267 1.00 0.00 O ATOM 582 CB TYR A 39 -0.845 3.907 5.955 1.00 0.00 C ATOM 583 CG TYR A 39 0.389 4.073 6.844 1.00 0.00 C ATOM 584 CD1 TYR A 39 0.239 4.372 8.184 1.00 0.00 C ATOM 585 CD2 TYR A 39 1.652 3.926 6.308 1.00 0.00 C ATOM 586 CE1 TYR A 39 1.400 4.528 9.021 1.00 0.00 C ATOM 587 CE2 TYR A 39 2.813 4.082 7.145 1.00 0.00 C ATOM 588 CZ TYR A 39 2.630 4.376 8.460 1.00 0.00 C ATOM 589 OH TYR A 39 3.726 4.524 9.251 1.00 0.00 O ATOM 0 H TYR A 39 -2.932 3.859 4.744 1.00 0.00 H new ATOM 0 HA TYR A 39 -2.214 5.349 6.880 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -1.422 3.053 6.309 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -0.521 3.675 4.941 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -0.749 4.489 8.604 1.00 0.00 H new ATOM 0 HD2 TYR A 39 1.770 3.694 5.260 1.00 0.00 H new ATOM 0 HE1 TYR A 39 1.297 4.760 10.071 1.00 0.00 H new ATOM 0 HE2 TYR A 39 3.807 3.968 6.738 1.00 0.00 H new ATOM 0 HH TYR A 39 4.536 4.387 8.717 1.00 0.00 H new ATOM 599 N VAL A 40 -0.324 6.268 4.338 1.00 0.00 N ATOM 600 CA VAL A 40 0.498 7.354 3.831 1.00 0.00 C ATOM 601 C VAL A 40 -0.209 8.686 4.086 1.00 0.00 C ATOM 602 O VAL A 40 0.281 9.517 4.850 1.00 0.00 O ATOM 603 CB VAL A 40 0.820 7.121 2.353 1.00 0.00 C ATOM 604 CG1 VAL A 40 1.347 8.400 1.699 1.00 0.00 C ATOM 605 CG2 VAL A 40 1.811 5.968 2.183 1.00 0.00 C ATOM 0 H VAL A 40 -0.392 5.460 3.719 1.00 0.00 H new ATOM 0 HA VAL A 40 1.452 7.387 4.356 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.105 6.844 1.848 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.568 8.207 0.649 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.593 9.184 1.773 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.256 8.721 2.208 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.023 5.823 1.124 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.736 6.203 2.709 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.381 5.055 2.595 1.00 0.00 H new ATOM 615 N LYS A 41 -1.350 8.849 3.433 1.00 0.00 N ATOM 616 CA LYS A 41 -2.130 10.066 3.579 1.00 0.00 C ATOM 617 C LYS A 41 -2.463 10.278 5.058 1.00 0.00 C ATOM 618 O LYS A 41 -2.268 11.368 5.592 1.00 0.00 O ATOM 619 CB LYS A 41 -3.360 10.027 2.671 1.00 0.00 C ATOM 620 CG LYS A 41 -2.980 10.329 1.220 1.00 0.00 C ATOM 621 CD LYS A 41 -3.910 9.603 0.246 1.00 0.00 C ATOM 622 CE LYS A 41 -5.318 10.201 0.283 1.00 0.00 C ATOM 623 NZ LYS A 41 -6.241 9.310 1.021 1.00 0.00 N ATOM 0 H LYS A 41 -1.753 8.158 2.801 1.00 0.00 H new ATOM 0 HA LYS A 41 -1.551 10.931 3.254 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -3.830 9.045 2.731 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -4.095 10.754 3.017 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -3.030 11.403 1.044 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -1.949 10.024 1.039 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -3.509 9.671 -0.765 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -3.954 8.544 0.501 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -5.291 11.181 0.759 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -5.683 10.351 -0.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -7.192 9.731 1.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -6.280 8.384 0.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -5.900 9.188 1.996 1.00 0.00 H new ATOM 637 N ALA A 42 -2.962 9.217 5.677 1.00 0.00 N ATOM 638 CA ALA A 42 -3.324 9.274 7.083 1.00 0.00 C ATOM 639 C ALA A 42 -2.134 9.794 7.891 1.00 0.00 C ATOM 640 O ALA A 42 -2.311 10.361 8.968 1.00 0.00 O ATOM 641 CB ALA A 42 -3.785 7.890 7.547 1.00 0.00 C ATOM 0 H ALA A 42 -3.124 8.314 5.231 1.00 0.00 H new ATOM 0 HA ALA A 42 -4.154 9.964 7.239 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -4.057 7.932 8.602 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -4.650 7.579 6.961 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -2.977 7.172 7.409 1.00 0.00 H new ATOM 647 N ARG A 43 -0.948 9.581 7.341 1.00 0.00 N ATOM 648 CA ARG A 43 0.271 10.021 7.998 1.00 0.00 C ATOM 649 C ARG A 43 0.819 11.276 7.315 1.00 0.00 C ATOM 650 O ARG A 43 2.005 11.582 7.429 1.00 0.00 O ATOM 651 CB ARG A 43 1.339 8.926 7.969 1.00 0.00 C ATOM 652 CG ARG A 43 0.823 7.640 8.618 1.00 0.00 C ATOM 653 CD ARG A 43 1.183 7.593 10.105 1.00 0.00 C ATOM 654 NE ARG A 43 2.437 6.832 10.298 1.00 0.00 N ATOM 655 CZ ARG A 43 2.888 6.418 11.490 1.00 0.00 C ATOM 656 NH1 ARG A 43 2.191 6.689 12.601 1.00 0.00 N ATOM 657 NH2 ARG A 43 4.037 5.733 11.570 1.00 0.00 N ATOM 0 H ARG A 43 -0.805 9.110 6.448 1.00 0.00 H new ATOM 0 HA ARG A 43 0.025 10.246 9.036 1.00 0.00 H new ATOM 0 HB2 ARG A 43 1.632 8.725 6.938 1.00 0.00 H new ATOM 0 HB3 ARG A 43 2.231 9.269 8.493 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -0.259 7.578 8.500 1.00 0.00 H new ATOM 0 HG3 ARG A 43 1.249 6.775 8.109 1.00 0.00 H new ATOM 0 HD2 ARG A 43 1.299 8.605 10.492 1.00 0.00 H new ATOM 0 HD3 ARG A 43 0.375 7.127 10.669 1.00 0.00 H new ATOM 0 HE ARG A 43 2.993 6.609 9.472 1.00 0.00 H new ATOM 0 HH11 ARG A 43 1.317 7.211 12.540 1.00 0.00 H new ATOM 0 HH12 ARG A 43 2.535 6.374 13.508 1.00 0.00 H new ATOM 0 HH21 ARG A 43 4.568 5.527 10.724 1.00 0.00 H new ATOM 0 HH22 ARG A 43 4.381 5.418 12.477 1.00 0.00 H new ATOM 671 N LYS A 44 -0.071 11.969 6.620 1.00 0.00 N ATOM 672 CA LYS A 44 0.308 13.184 5.919 1.00 0.00 C ATOM 673 C LYS A 44 1.626 12.948 5.177 1.00 0.00 C ATOM 674 O LYS A 44 2.469 13.841 5.103 1.00 0.00 O ATOM 675 CB LYS A 44 0.350 14.369 6.885 1.00 0.00 C ATOM 676 CG LYS A 44 -1.050 14.945 7.107 1.00 0.00 C ATOM 677 CD LYS A 44 -1.051 15.958 8.254 1.00 0.00 C ATOM 678 CE LYS A 44 -1.832 17.217 7.873 1.00 0.00 C ATOM 679 NZ LYS A 44 -0.997 18.114 7.043 1.00 0.00 N ATOM 0 H LYS A 44 -1.054 11.712 6.527 1.00 0.00 H new ATOM 0 HA LYS A 44 -0.440 13.441 5.169 1.00 0.00 H new ATOM 0 HB2 LYS A 44 0.772 14.051 7.838 1.00 0.00 H new ATOM 0 HB3 LYS A 44 1.007 15.143 6.488 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -1.399 15.425 6.193 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -1.748 14.138 7.329 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -1.493 15.507 9.142 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -0.025 16.225 8.509 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -2.734 16.941 7.326 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -2.153 17.740 8.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -1.542 18.964 6.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -0.149 18.392 7.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -0.712 17.618 6.174 1.00 0.00 H new ATOM 693 N LEU A 45 1.761 11.742 4.645 1.00 0.00 N ATOM 694 CA LEU A 45 2.961 11.379 3.911 1.00 0.00 C ATOM 695 C LEU A 45 2.837 11.864 2.466 1.00 0.00 C ATOM 696 O LEU A 45 3.836 12.206 1.834 1.00 0.00 O ATOM 697 CB LEU A 45 3.231 9.878 4.035 1.00 0.00 C ATOM 698 CG LEU A 45 3.913 9.423 5.326 1.00 0.00 C ATOM 699 CD1 LEU A 45 4.069 7.901 5.357 1.00 0.00 C ATOM 700 CD2 LEU A 45 5.251 10.140 5.521 1.00 0.00 C ATOM 0 H LEU A 45 1.059 11.004 4.708 1.00 0.00 H new ATOM 0 HA LEU A 45 3.833 11.873 4.339 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.282 9.350 3.943 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.850 9.570 3.193 1.00 0.00 H new ATOM 0 HG LEU A 45 3.274 9.698 6.165 1.00 0.00 H new ATOM 0 HD11 LEU A 45 4.557 7.604 6.285 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.086 7.433 5.298 1.00 0.00 H new ATOM 0 HD13 LEU A 45 4.675 7.580 4.510 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.715 9.798 6.446 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.909 9.917 4.681 1.00 0.00 H new ATOM 0 HD23 LEU A 45 5.083 11.216 5.575 1.00 0.00 H new ATOM 712 N GLN A 46 1.603 11.880 1.985 1.00 0.00 N ATOM 713 CA GLN A 46 1.335 12.319 0.625 1.00 0.00 C ATOM 714 C GLN A 46 2.225 13.510 0.267 1.00 0.00 C ATOM 715 O GLN A 46 2.473 14.378 1.102 1.00 0.00 O ATOM 716 CB GLN A 46 -0.144 12.665 0.442 1.00 0.00 C ATOM 717 CG GLN A 46 -0.417 13.174 -0.974 1.00 0.00 C ATOM 718 CD GLN A 46 -1.877 13.604 -1.131 1.00 0.00 C ATOM 719 OE1 GLN A 46 -2.613 13.757 -0.170 1.00 0.00 O ATOM 720 NE2 GLN A 46 -2.254 13.787 -2.393 1.00 0.00 N ATOM 0 H GLN A 46 0.777 11.596 2.512 1.00 0.00 H new ATOM 0 HA GLN A 46 1.569 11.499 -0.054 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -0.754 11.784 0.639 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -0.436 13.424 1.168 1.00 0.00 H new ATOM 0 HG2 GLN A 46 0.239 14.016 -1.194 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -0.185 12.391 -1.696 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -1.587 13.642 -3.151 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -3.210 14.073 -2.603 1.00 0.00 H new ATOM 729 N ASN A 47 2.681 13.514 -0.977 1.00 0.00 N ATOM 730 CA ASN A 47 3.538 14.584 -1.457 1.00 0.00 C ATOM 731 C ASN A 47 2.674 15.694 -2.059 1.00 0.00 C ATOM 732 O ASN A 47 1.790 15.425 -2.871 1.00 0.00 O ATOM 733 CB ASN A 47 4.489 14.083 -2.545 1.00 0.00 C ATOM 734 CG ASN A 47 5.925 13.996 -2.023 1.00 0.00 C ATOM 735 OD1 ASN A 47 6.424 12.938 -1.676 1.00 0.00 O ATOM 736 ND2 ASN A 47 6.558 15.165 -1.985 1.00 0.00 N ATOM 0 H ASN A 47 2.473 12.793 -1.667 1.00 0.00 H new ATOM 0 HA ASN A 47 4.119 14.954 -0.612 1.00 0.00 H new ATOM 0 HB2 ASN A 47 4.165 13.102 -2.892 1.00 0.00 H new ATOM 0 HB3 ASN A 47 4.451 14.754 -3.403 1.00 0.00 H new ATOM 0 HD21 ASN A 47 7.520 15.213 -1.650 1.00 0.00 H new ATOM 0 HD22 ASN A 47 6.081 16.013 -2.291 1.00 0.00 H new ATOM 743 N PRO A 48 2.966 16.949 -1.626 1.00 0.00 N ATOM 744 CA PRO A 48 2.225 18.100 -2.113 1.00 0.00 C ATOM 745 C PRO A 48 2.644 18.458 -3.540 1.00 0.00 C ATOM 746 O PRO A 48 1.826 18.921 -4.334 1.00 0.00 O ATOM 747 CB PRO A 48 2.516 19.208 -1.113 1.00 0.00 C ATOM 748 CG PRO A 48 3.769 18.777 -0.368 1.00 0.00 C ATOM 749 CD PRO A 48 4.005 17.305 -0.664 1.00 0.00 C ATOM 0 HA PRO A 48 1.153 17.913 -2.179 1.00 0.00 H new ATOM 0 HB2 PRO A 48 2.671 20.161 -1.619 1.00 0.00 H new ATOM 0 HB3 PRO A 48 1.680 19.344 -0.426 1.00 0.00 H new ATOM 0 HG2 PRO A 48 4.625 19.372 -0.685 1.00 0.00 H new ATOM 0 HG3 PRO A 48 3.650 18.936 0.704 1.00 0.00 H new ATOM 0 HD2 PRO A 48 5.000 17.139 -1.076 1.00 0.00 H new ATOM 0 HD3 PRO A 48 3.930 16.702 0.241 1.00 0.00 H new ATOM 757 N ASN A 49 3.918 18.229 -3.824 1.00 0.00 N ATOM 758 CA ASN A 49 4.456 18.522 -5.141 1.00 0.00 C ATOM 759 C ASN A 49 3.980 17.455 -6.130 1.00 0.00 C ATOM 760 O ASN A 49 3.300 17.767 -7.106 1.00 0.00 O ATOM 761 CB ASN A 49 5.986 18.506 -5.128 1.00 0.00 C ATOM 762 CG ASN A 49 6.541 19.767 -4.463 1.00 0.00 C ATOM 763 OD1 ASN A 49 6.430 20.869 -4.973 1.00 0.00 O ATOM 764 ND2 ASN A 49 7.144 19.543 -3.299 1.00 0.00 N ATOM 0 H ASN A 49 4.593 17.844 -3.164 1.00 0.00 H new ATOM 0 HA ASN A 49 4.109 19.513 -5.434 1.00 0.00 H new ATOM 0 HB2 ASN A 49 6.340 17.624 -4.595 1.00 0.00 H new ATOM 0 HB3 ASN A 49 6.361 18.433 -6.149 1.00 0.00 H new ATOM 0 HD21 ASN A 49 7.549 20.320 -2.776 1.00 0.00 H new ATOM 0 HD22 ASN A 49 7.202 18.594 -2.929 1.00 0.00 H new ATOM 771 N ASP A 50 4.357 16.218 -5.842 1.00 0.00 N ATOM 772 CA ASP A 50 3.978 15.103 -6.693 1.00 0.00 C ATOM 773 C ASP A 50 2.869 14.300 -6.010 1.00 0.00 C ATOM 774 O ASP A 50 3.089 13.699 -4.960 1.00 0.00 O ATOM 775 CB ASP A 50 5.162 14.164 -6.932 1.00 0.00 C ATOM 776 CG ASP A 50 6.235 14.706 -7.879 1.00 0.00 C ATOM 777 OD1 ASP A 50 6.969 15.619 -7.442 1.00 0.00 O ATOM 778 OD2 ASP A 50 6.298 14.195 -9.018 1.00 0.00 O ATOM 0 H ASP A 50 4.921 15.963 -5.031 1.00 0.00 H new ATOM 0 HA ASP A 50 3.640 15.507 -7.647 1.00 0.00 H new ATOM 0 HB2 ASP A 50 5.626 13.937 -5.972 1.00 0.00 H new ATOM 0 HB3 ASP A 50 4.785 13.223 -7.334 1.00 0.00 H new ATOM 783 N PRO A 51 1.670 14.315 -6.651 1.00 0.00 N ATOM 784 CA PRO A 51 0.526 13.596 -6.117 1.00 0.00 C ATOM 785 C PRO A 51 0.669 12.090 -6.348 1.00 0.00 C ATOM 786 O PRO A 51 0.032 11.291 -5.664 1.00 0.00 O ATOM 787 CB PRO A 51 -0.680 14.194 -6.824 1.00 0.00 C ATOM 788 CG PRO A 51 -0.135 14.895 -8.058 1.00 0.00 C ATOM 789 CD PRO A 51 1.372 15.016 -7.897 1.00 0.00 C ATOM 0 HA PRO A 51 0.430 13.701 -5.036 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -1.395 13.419 -7.099 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -1.204 14.896 -6.176 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -0.379 14.329 -8.957 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -0.588 15.880 -8.169 1.00 0.00 H new ATOM 0 HD2 PRO A 51 1.897 14.566 -8.740 1.00 0.00 H new ATOM 0 HD3 PRO A 51 1.682 16.060 -7.848 1.00 0.00 H new ATOM 797 N SER A 52 1.508 11.749 -7.315 1.00 0.00 N ATOM 798 CA SER A 52 1.742 10.353 -7.645 1.00 0.00 C ATOM 799 C SER A 52 2.775 9.756 -6.687 1.00 0.00 C ATOM 800 O SER A 52 2.910 8.537 -6.596 1.00 0.00 O ATOM 801 CB SER A 52 2.211 10.201 -9.093 1.00 0.00 C ATOM 802 OG SER A 52 1.399 9.286 -9.823 1.00 0.00 O ATOM 0 H SER A 52 2.034 12.415 -7.881 1.00 0.00 H new ATOM 0 HA SER A 52 0.801 9.813 -7.538 1.00 0.00 H new ATOM 0 HB2 SER A 52 2.193 11.174 -9.584 1.00 0.00 H new ATOM 0 HB3 SER A 52 3.245 9.857 -9.105 1.00 0.00 H new ATOM 0 HG SER A 52 1.729 9.218 -10.743 1.00 0.00 H new ATOM 808 N PHE A 53 3.477 10.642 -5.996 1.00 0.00 N ATOM 809 CA PHE A 53 4.493 10.217 -5.049 1.00 0.00 C ATOM 810 C PHE A 53 4.071 10.534 -3.613 1.00 0.00 C ATOM 811 O PHE A 53 3.053 11.189 -3.391 1.00 0.00 O ATOM 812 CB PHE A 53 5.767 11.000 -5.377 1.00 0.00 C ATOM 813 CG PHE A 53 6.795 10.204 -6.183 1.00 0.00 C ATOM 814 CD1 PHE A 53 7.619 9.324 -5.554 1.00 0.00 C ATOM 815 CD2 PHE A 53 6.886 10.377 -7.529 1.00 0.00 C ATOM 816 CE1 PHE A 53 8.573 8.585 -6.302 1.00 0.00 C ATOM 817 CE2 PHE A 53 7.840 9.638 -8.278 1.00 0.00 C ATOM 818 CZ PHE A 53 8.664 8.758 -7.648 1.00 0.00 C ATOM 0 H PHE A 53 3.362 11.653 -6.073 1.00 0.00 H new ATOM 0 HA PHE A 53 4.645 9.140 -5.126 1.00 0.00 H new ATOM 0 HB2 PHE A 53 5.497 11.896 -5.936 1.00 0.00 H new ATOM 0 HB3 PHE A 53 6.228 11.331 -4.446 1.00 0.00 H new ATOM 0 HD1 PHE A 53 7.548 9.187 -4.485 1.00 0.00 H new ATOM 0 HD2 PHE A 53 6.232 11.077 -8.029 1.00 0.00 H new ATOM 0 HE1 PHE A 53 9.227 7.885 -5.802 1.00 0.00 H new ATOM 0 HE2 PHE A 53 7.911 9.775 -9.347 1.00 0.00 H new ATOM 0 HZ PHE A 53 9.391 8.197 -8.217 1.00 0.00 H new ATOM 828 N PHE A 54 4.874 10.055 -2.674 1.00 0.00 N ATOM 829 CA PHE A 54 4.596 10.279 -1.265 1.00 0.00 C ATOM 830 C PHE A 54 5.874 10.179 -0.431 1.00 0.00 C ATOM 831 O PHE A 54 6.772 9.403 -0.756 1.00 0.00 O ATOM 832 CB PHE A 54 3.624 9.183 -0.821 1.00 0.00 C ATOM 833 CG PHE A 54 4.103 7.764 -1.134 1.00 0.00 C ATOM 834 CD1 PHE A 54 5.132 7.222 -0.429 1.00 0.00 C ATOM 835 CD2 PHE A 54 3.498 7.044 -2.117 1.00 0.00 C ATOM 836 CE1 PHE A 54 5.575 5.905 -0.719 1.00 0.00 C ATOM 837 CE2 PHE A 54 3.942 5.726 -2.407 1.00 0.00 C ATOM 838 CZ PHE A 54 4.971 5.185 -1.702 1.00 0.00 C ATOM 0 H PHE A 54 5.717 9.513 -2.861 1.00 0.00 H new ATOM 0 HA PHE A 54 4.178 11.276 -1.122 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.458 9.271 0.253 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.662 9.346 -1.306 1.00 0.00 H new ATOM 0 HD1 PHE A 54 5.612 7.794 0.351 1.00 0.00 H new ATOM 0 HD2 PHE A 54 2.681 7.474 -2.677 1.00 0.00 H new ATOM 0 HE1 PHE A 54 6.392 5.475 -0.159 1.00 0.00 H new ATOM 0 HE2 PHE A 54 3.462 5.154 -3.187 1.00 0.00 H new ATOM 0 HZ PHE A 54 5.309 4.183 -1.923 1.00 0.00 H new ATOM 848 N ASN A 55 5.917 10.975 0.627 1.00 0.00 N ATOM 849 CA ASN A 55 7.071 10.986 1.509 1.00 0.00 C ATOM 850 C ASN A 55 7.025 9.755 2.417 1.00 0.00 C ATOM 851 O ASN A 55 5.953 9.211 2.677 1.00 0.00 O ATOM 852 CB ASN A 55 7.071 12.231 2.400 1.00 0.00 C ATOM 853 CG ASN A 55 7.871 13.365 1.757 1.00 0.00 C ATOM 854 OD1 ASN A 55 9.048 13.553 2.016 1.00 0.00 O ATOM 855 ND2 ASN A 55 7.168 14.108 0.907 1.00 0.00 N ATOM 0 H ASN A 55 5.171 11.617 0.893 1.00 0.00 H new ATOM 0 HA ASN A 55 7.969 10.985 0.891 1.00 0.00 H new ATOM 0 HB2 ASN A 55 6.046 12.558 2.574 1.00 0.00 H new ATOM 0 HB3 ASN A 55 7.497 11.986 3.373 1.00 0.00 H new ATOM 0 HD21 ASN A 55 7.612 14.890 0.426 1.00 0.00 H new ATOM 0 HD22 ASN A 55 6.185 13.895 0.736 1.00 0.00 H new ATOM 862 N CYS A 56 8.201 9.353 2.874 1.00 0.00 N ATOM 863 CA CYS A 56 8.309 8.196 3.747 1.00 0.00 C ATOM 864 C CYS A 56 8.177 8.673 5.194 1.00 0.00 C ATOM 865 O CYS A 56 8.508 9.815 5.508 1.00 0.00 O ATOM 866 CB CYS A 56 9.614 7.432 3.515 1.00 0.00 C ATOM 867 SG CYS A 56 11.013 8.340 4.267 1.00 0.00 S ATOM 0 H CYS A 56 9.088 9.808 2.656 1.00 0.00 H new ATOM 0 HA CYS A 56 7.508 7.492 3.523 1.00 0.00 H new ATOM 0 HB2 CYS A 56 9.543 6.434 3.948 1.00 0.00 H new ATOM 0 HB3 CYS A 56 9.785 7.304 2.446 1.00 0.00 H new ATOM 0 HG CYS A 56 12.119 7.692 4.048 1.00 0.00 H new ATOM 873 N ASP A 57 7.691 7.773 6.038 1.00 0.00 N ATOM 874 CA ASP A 57 7.511 8.088 7.445 1.00 0.00 C ATOM 875 C ASP A 57 8.728 7.598 8.232 1.00 0.00 C ATOM 876 O ASP A 57 9.318 8.354 9.004 1.00 0.00 O ATOM 877 CB ASP A 57 6.271 7.392 8.010 1.00 0.00 C ATOM 878 CG ASP A 57 5.071 8.309 8.255 1.00 0.00 C ATOM 879 OD1 ASP A 57 5.302 9.533 8.354 1.00 0.00 O ATOM 880 OD2 ASP A 57 3.949 7.764 8.338 1.00 0.00 O ATOM 0 H ASP A 57 7.417 6.827 5.774 1.00 0.00 H new ATOM 0 HA ASP A 57 7.392 9.168 7.537 1.00 0.00 H new ATOM 0 HB2 ASP A 57 5.971 6.602 7.322 1.00 0.00 H new ATOM 0 HB3 ASP A 57 6.540 6.911 8.950 1.00 0.00 H new ATOM 885 N ALA A 58 9.068 6.337 8.011 1.00 0.00 N ATOM 886 CA ALA A 58 10.205 5.738 8.690 1.00 0.00 C ATOM 887 C ALA A 58 10.114 4.215 8.580 1.00 0.00 C ATOM 888 O ALA A 58 11.134 3.528 8.572 1.00 0.00 O ATOM 889 CB ALA A 58 10.241 6.217 10.143 1.00 0.00 C ATOM 0 H ALA A 58 8.576 5.713 7.371 1.00 0.00 H new ATOM 0 HA ALA A 58 11.139 6.047 8.221 1.00 0.00 H new ATOM 0 HB1 ALA A 58 11.093 5.768 10.653 1.00 0.00 H new ATOM 0 HB2 ALA A 58 10.335 7.303 10.166 1.00 0.00 H new ATOM 0 HB3 ALA A 58 9.320 5.922 10.646 1.00 0.00 H new ATOM 895 N ALA A 59 8.883 3.732 8.498 1.00 0.00 N ATOM 896 CA ALA A 59 8.645 2.302 8.389 1.00 0.00 C ATOM 897 C ALA A 59 8.522 1.922 6.912 1.00 0.00 C ATOM 898 O ALA A 59 8.771 0.776 6.540 1.00 0.00 O ATOM 899 CB ALA A 59 7.399 1.929 9.194 1.00 0.00 C ATOM 0 H ALA A 59 8.039 4.305 8.505 1.00 0.00 H new ATOM 0 HA ALA A 59 9.481 1.740 8.805 1.00 0.00 H new ATOM 0 HB1 ALA A 59 7.221 0.857 9.112 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.550 2.193 10.241 1.00 0.00 H new ATOM 0 HB3 ALA A 59 6.538 2.471 8.803 1.00 0.00 H new ATOM 905 N LEU A 60 8.136 2.904 6.111 1.00 0.00 N ATOM 906 CA LEU A 60 7.976 2.686 4.684 1.00 0.00 C ATOM 907 C LEU A 60 9.352 2.492 4.044 1.00 0.00 C ATOM 908 O LEU A 60 9.461 1.933 2.954 1.00 0.00 O ATOM 909 CB LEU A 60 7.161 3.819 4.057 1.00 0.00 C ATOM 910 CG LEU A 60 5.640 3.686 4.156 1.00 0.00 C ATOM 911 CD1 LEU A 60 4.955 5.033 3.918 1.00 0.00 C ATOM 912 CD2 LEU A 60 5.122 2.604 3.206 1.00 0.00 C ATOM 0 H LEU A 60 7.929 3.853 6.423 1.00 0.00 H new ATOM 0 HA LEU A 60 7.407 1.775 4.500 1.00 0.00 H new ATOM 0 HB2 LEU A 60 7.455 4.756 4.530 1.00 0.00 H new ATOM 0 HB3 LEU A 60 7.431 3.894 3.004 1.00 0.00 H new ATOM 0 HG LEU A 60 5.390 3.372 5.169 1.00 0.00 H new ATOM 0 HD11 LEU A 60 3.875 4.910 3.994 1.00 0.00 H new ATOM 0 HD12 LEU A 60 5.292 5.750 4.667 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.209 5.400 2.924 1.00 0.00 H new ATOM 0 HD21 LEU A 60 4.038 2.529 3.296 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.384 2.864 2.181 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.574 1.646 3.464 1.00 0.00 H new ATOM 924 N GLN A 61 10.369 2.964 4.750 1.00 0.00 N ATOM 925 CA GLN A 61 11.734 2.850 4.265 1.00 0.00 C ATOM 926 C GLN A 61 12.169 1.383 4.246 1.00 0.00 C ATOM 927 O GLN A 61 12.418 0.819 3.181 1.00 0.00 O ATOM 928 CB GLN A 61 12.689 3.694 5.111 1.00 0.00 C ATOM 929 CG GLN A 61 13.050 4.997 4.395 1.00 0.00 C ATOM 930 CD GLN A 61 14.547 5.056 4.084 1.00 0.00 C ATOM 931 OE1 GLN A 61 15.332 4.234 4.529 1.00 0.00 O ATOM 932 NE2 GLN A 61 14.897 6.070 3.299 1.00 0.00 N ATOM 0 H GLN A 61 10.275 3.426 5.654 1.00 0.00 H new ATOM 0 HA GLN A 61 11.770 3.233 3.245 1.00 0.00 H new ATOM 0 HB2 GLN A 61 12.227 3.919 6.072 1.00 0.00 H new ATOM 0 HB3 GLN A 61 13.596 3.126 5.319 1.00 0.00 H new ATOM 0 HG2 GLN A 61 12.479 5.078 3.470 1.00 0.00 H new ATOM 0 HG3 GLN A 61 12.771 5.847 5.017 1.00 0.00 H new ATOM 0 HE21 GLN A 61 14.189 6.722 2.962 1.00 0.00 H new ATOM 0 HE22 GLN A 61 15.874 6.196 3.034 1.00 0.00 H new ATOM 941 N LYS A 62 12.248 0.806 5.437 1.00 0.00 N ATOM 942 CA LYS A 62 12.649 -0.584 5.570 1.00 0.00 C ATOM 943 C LYS A 62 12.011 -1.404 4.447 1.00 0.00 C ATOM 944 O LYS A 62 12.576 -2.403 4.005 1.00 0.00 O ATOM 945 CB LYS A 62 12.323 -1.103 6.972 1.00 0.00 C ATOM 946 CG LYS A 62 13.480 -0.840 7.937 1.00 0.00 C ATOM 947 CD LYS A 62 14.037 -2.151 8.495 1.00 0.00 C ATOM 948 CE LYS A 62 15.125 -2.719 7.581 1.00 0.00 C ATOM 949 NZ LYS A 62 14.649 -3.952 6.914 1.00 0.00 N ATOM 0 H LYS A 62 12.041 1.276 6.318 1.00 0.00 H new ATOM 0 HA LYS A 62 13.729 -0.681 5.462 1.00 0.00 H new ATOM 0 HB2 LYS A 62 11.419 -0.619 7.342 1.00 0.00 H new ATOM 0 HB3 LYS A 62 12.117 -2.172 6.929 1.00 0.00 H new ATOM 0 HG2 LYS A 62 14.271 -0.295 7.422 1.00 0.00 H new ATOM 0 HG3 LYS A 62 13.138 -0.208 8.757 1.00 0.00 H new ATOM 0 HD2 LYS A 62 14.446 -1.982 9.491 1.00 0.00 H new ATOM 0 HD3 LYS A 62 13.231 -2.877 8.601 1.00 0.00 H new ATOM 0 HE2 LYS A 62 15.403 -1.977 6.832 1.00 0.00 H new ATOM 0 HE3 LYS A 62 16.021 -2.936 8.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 15.399 -4.325 6.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 14.406 -4.664 7.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 13.807 -3.735 6.343 1.00 0.00 H new ATOM 963 N VAL A 63 10.842 -0.951 4.017 1.00 0.00 N ATOM 964 CA VAL A 63 10.122 -1.631 2.954 1.00 0.00 C ATOM 965 C VAL A 63 10.829 -1.376 1.621 1.00 0.00 C ATOM 966 O VAL A 63 11.334 -2.306 0.995 1.00 0.00 O ATOM 967 CB VAL A 63 8.657 -1.187 2.948 1.00 0.00 C ATOM 968 CG1 VAL A 63 7.910 -1.779 1.751 1.00 0.00 C ATOM 969 CG2 VAL A 63 7.967 -1.557 4.262 1.00 0.00 C ATOM 0 H VAL A 63 10.376 -0.122 4.385 1.00 0.00 H new ATOM 0 HA VAL A 63 10.121 -2.708 3.121 1.00 0.00 H new ATOM 0 HB VAL A 63 8.636 -0.101 2.853 1.00 0.00 H new ATOM 0 HG11 VAL A 63 6.872 -1.448 1.770 1.00 0.00 H new ATOM 0 HG12 VAL A 63 8.380 -1.444 0.827 1.00 0.00 H new ATOM 0 HG13 VAL A 63 7.945 -2.867 1.802 1.00 0.00 H new ATOM 0 HG21 VAL A 63 6.928 -1.230 4.232 1.00 0.00 H new ATOM 0 HG22 VAL A 63 8.004 -2.638 4.401 1.00 0.00 H new ATOM 0 HG23 VAL A 63 8.477 -1.067 5.091 1.00 0.00 H new ATOM 979 N PHE A 64 10.841 -0.111 1.226 1.00 0.00 N ATOM 980 CA PHE A 64 11.477 0.278 -0.021 1.00 0.00 C ATOM 981 C PHE A 64 12.930 0.697 0.212 1.00 0.00 C ATOM 982 O PHE A 64 13.853 0.059 -0.292 1.00 0.00 O ATOM 983 CB PHE A 64 10.695 1.473 -0.568 1.00 0.00 C ATOM 984 CG PHE A 64 9.176 1.293 -0.532 1.00 0.00 C ATOM 985 CD1 PHE A 64 8.578 0.396 -1.361 1.00 0.00 C ATOM 986 CD2 PHE A 64 8.425 2.029 0.330 1.00 0.00 C ATOM 987 CE1 PHE A 64 7.168 0.229 -1.327 1.00 0.00 C ATOM 988 CE2 PHE A 64 7.015 1.862 0.364 1.00 0.00 C ATOM 989 CZ PHE A 64 6.417 0.965 -0.465 1.00 0.00 C ATOM 0 H PHE A 64 10.420 0.658 1.748 1.00 0.00 H new ATOM 0 HA PHE A 64 11.476 -0.561 -0.717 1.00 0.00 H new ATOM 0 HB2 PHE A 64 10.959 2.361 0.007 1.00 0.00 H new ATOM 0 HB3 PHE A 64 11.004 1.656 -1.597 1.00 0.00 H new ATOM 0 HD1 PHE A 64 9.175 -0.189 -2.045 1.00 0.00 H new ATOM 0 HD2 PHE A 64 8.901 2.741 0.989 1.00 0.00 H new ATOM 0 HE1 PHE A 64 6.692 -0.483 -1.986 1.00 0.00 H new ATOM 0 HE2 PHE A 64 6.418 2.447 1.048 1.00 0.00 H new ATOM 0 HZ PHE A 64 5.345 0.837 -0.439 1.00 0.00 H new ATOM 999 N GLY A 65 13.088 1.767 0.978 1.00 0.00 N ATOM 1000 CA GLY A 65 14.413 2.279 1.284 1.00 0.00 C ATOM 1001 C GLY A 65 14.635 3.647 0.636 1.00 0.00 C ATOM 1002 O GLY A 65 15.710 4.231 0.763 1.00 0.00 O ATOM 0 H GLY A 65 12.320 2.293 1.396 1.00 0.00 H new ATOM 0 HA2 GLY A 65 14.535 2.360 2.364 1.00 0.00 H new ATOM 0 HA3 GLY A 65 15.169 1.578 0.930 1.00 0.00 H new ATOM 1006 N GLU A 66 13.601 4.119 -0.046 1.00 0.00 N ATOM 1007 CA GLU A 66 13.670 5.407 -0.714 1.00 0.00 C ATOM 1008 C GLU A 66 12.904 6.462 0.086 1.00 0.00 C ATOM 1009 O GLU A 66 11.934 6.143 0.772 1.00 0.00 O ATOM 1010 CB GLU A 66 13.138 5.311 -2.145 1.00 0.00 C ATOM 1011 CG GLU A 66 14.029 4.410 -3.003 1.00 0.00 C ATOM 1012 CD GLU A 66 14.527 5.152 -4.244 1.00 0.00 C ATOM 1013 OE1 GLU A 66 15.202 6.186 -4.054 1.00 0.00 O ATOM 1014 OE2 GLU A 66 14.221 4.668 -5.356 1.00 0.00 O ATOM 0 H GLU A 66 12.711 3.632 -0.150 1.00 0.00 H new ATOM 0 HA GLU A 66 14.716 5.710 -0.769 1.00 0.00 H new ATOM 0 HB2 GLU A 66 12.121 4.918 -2.133 1.00 0.00 H new ATOM 0 HB3 GLU A 66 13.090 6.307 -2.586 1.00 0.00 H new ATOM 0 HG2 GLU A 66 14.880 4.067 -2.414 1.00 0.00 H new ATOM 0 HG3 GLU A 66 13.472 3.523 -3.305 1.00 0.00 H new ATOM 1021 N GLU A 67 13.369 7.698 -0.028 1.00 0.00 N ATOM 1022 CA GLU A 67 12.739 8.802 0.676 1.00 0.00 C ATOM 1023 C GLU A 67 11.253 8.879 0.322 1.00 0.00 C ATOM 1024 O GLU A 67 10.410 9.054 1.201 1.00 0.00 O ATOM 1025 CB GLU A 67 13.446 10.123 0.368 1.00 0.00 C ATOM 1026 CG GLU A 67 14.959 9.992 0.552 1.00 0.00 C ATOM 1027 CD GLU A 67 15.609 11.364 0.743 1.00 0.00 C ATOM 1028 OE1 GLU A 67 15.595 11.843 1.898 1.00 0.00 O ATOM 1029 OE2 GLU A 67 16.106 11.902 -0.269 1.00 0.00 O ATOM 0 H GLU A 67 14.174 7.959 -0.597 1.00 0.00 H new ATOM 0 HA GLU A 67 12.827 8.622 1.747 1.00 0.00 H new ATOM 0 HB2 GLU A 67 13.226 10.427 -0.655 1.00 0.00 H new ATOM 0 HB3 GLU A 67 13.063 10.906 1.023 1.00 0.00 H new ATOM 0 HG2 GLU A 67 15.171 9.362 1.416 1.00 0.00 H new ATOM 0 HG3 GLU A 67 15.393 9.498 -0.317 1.00 0.00 H new ATOM 1036 N LYS A 68 10.977 8.745 -0.967 1.00 0.00 N ATOM 1037 CA LYS A 68 9.607 8.797 -1.448 1.00 0.00 C ATOM 1038 C LYS A 68 9.419 7.758 -2.555 1.00 0.00 C ATOM 1039 O LYS A 68 10.391 7.313 -3.164 1.00 0.00 O ATOM 1040 CB LYS A 68 9.242 10.221 -1.873 1.00 0.00 C ATOM 1041 CG LYS A 68 10.125 10.690 -3.032 1.00 0.00 C ATOM 1042 CD LYS A 68 9.369 11.663 -3.938 1.00 0.00 C ATOM 1043 CE LYS A 68 9.844 11.544 -5.388 1.00 0.00 C ATOM 1044 NZ LYS A 68 10.798 12.628 -5.711 1.00 0.00 N ATOM 0 H LYS A 68 11.679 8.601 -1.693 1.00 0.00 H new ATOM 0 HA LYS A 68 8.913 8.540 -0.648 1.00 0.00 H new ATOM 0 HB2 LYS A 68 8.194 10.258 -2.171 1.00 0.00 H new ATOM 0 HB3 LYS A 68 9.357 10.898 -1.026 1.00 0.00 H new ATOM 0 HG2 LYS A 68 11.020 11.173 -2.640 1.00 0.00 H new ATOM 0 HG3 LYS A 68 10.456 9.829 -3.613 1.00 0.00 H new ATOM 0 HD2 LYS A 68 8.300 11.459 -3.884 1.00 0.00 H new ATOM 0 HD3 LYS A 68 9.517 12.684 -3.586 1.00 0.00 H new ATOM 0 HE2 LYS A 68 10.319 10.575 -5.543 1.00 0.00 H new ATOM 0 HE3 LYS A 68 8.989 11.591 -6.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 11.111 12.533 -6.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 10.333 13.549 -5.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 11.622 12.565 -5.080 1.00 0.00 H new ATOM 1058 N LEU A 69 8.164 7.401 -2.781 1.00 0.00 N ATOM 1059 CA LEU A 69 7.836 6.423 -3.804 1.00 0.00 C ATOM 1060 C LEU A 69 6.523 6.819 -4.481 1.00 0.00 C ATOM 1061 O LEU A 69 5.824 7.716 -4.012 1.00 0.00 O ATOM 1062 CB LEU A 69 7.822 5.012 -3.211 1.00 0.00 C ATOM 1063 CG LEU A 69 8.654 3.964 -3.953 1.00 0.00 C ATOM 1064 CD1 LEU A 69 9.562 3.201 -2.986 1.00 0.00 C ATOM 1065 CD2 LEU A 69 7.758 3.024 -4.761 1.00 0.00 C ATOM 0 H LEU A 69 7.361 7.772 -2.273 1.00 0.00 H new ATOM 0 HA LEU A 69 8.602 6.411 -4.579 1.00 0.00 H new ATOM 0 HB2 LEU A 69 8.178 5.068 -2.182 1.00 0.00 H new ATOM 0 HB3 LEU A 69 6.789 4.666 -3.172 1.00 0.00 H new ATOM 0 HG LEU A 69 9.301 4.480 -4.663 1.00 0.00 H new ATOM 0 HD11 LEU A 69 10.143 2.462 -3.538 1.00 0.00 H new ATOM 0 HD12 LEU A 69 10.238 3.900 -2.494 1.00 0.00 H new ATOM 0 HD13 LEU A 69 8.953 2.697 -2.236 1.00 0.00 H new ATOM 0 HD21 LEU A 69 8.375 2.289 -5.278 1.00 0.00 H new ATOM 0 HD22 LEU A 69 7.069 2.511 -4.090 1.00 0.00 H new ATOM 0 HD23 LEU A 69 7.191 3.601 -5.492 1.00 0.00 H new ATOM 1077 N LYS A 70 6.226 6.130 -5.574 1.00 0.00 N ATOM 1078 CA LYS A 70 5.009 6.399 -6.320 1.00 0.00 C ATOM 1079 C LYS A 70 3.853 5.608 -5.704 1.00 0.00 C ATOM 1080 O LYS A 70 4.051 4.503 -5.201 1.00 0.00 O ATOM 1081 CB LYS A 70 5.221 6.120 -7.810 1.00 0.00 C ATOM 1082 CG LYS A 70 6.460 6.849 -8.334 1.00 0.00 C ATOM 1083 CD LYS A 70 6.852 6.336 -9.720 1.00 0.00 C ATOM 1084 CE LYS A 70 8.348 6.018 -9.785 1.00 0.00 C ATOM 1085 NZ LYS A 70 8.676 5.322 -11.049 1.00 0.00 N ATOM 0 H LYS A 70 6.808 5.386 -5.960 1.00 0.00 H new ATOM 0 HA LYS A 70 4.745 7.454 -6.252 1.00 0.00 H new ATOM 0 HB2 LYS A 70 5.331 5.048 -7.971 1.00 0.00 H new ATOM 0 HB3 LYS A 70 4.343 6.438 -8.372 1.00 0.00 H new ATOM 0 HG2 LYS A 70 6.263 7.920 -8.381 1.00 0.00 H new ATOM 0 HG3 LYS A 70 7.290 6.707 -7.642 1.00 0.00 H new ATOM 0 HD2 LYS A 70 6.276 5.441 -9.957 1.00 0.00 H new ATOM 0 HD3 LYS A 70 6.603 7.084 -10.472 1.00 0.00 H new ATOM 0 HE2 LYS A 70 8.925 6.940 -9.710 1.00 0.00 H new ATOM 0 HE3 LYS A 70 8.631 5.395 -8.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 9.707 5.324 -11.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 8.335 4.341 -11.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 8.217 5.811 -11.844 1.00 0.00 H new ATOM 1099 N PHE A 71 2.672 6.205 -5.764 1.00 0.00 N ATOM 1100 CA PHE A 71 1.484 5.569 -5.219 1.00 0.00 C ATOM 1101 C PHE A 71 1.059 4.374 -6.074 1.00 0.00 C ATOM 1102 O PHE A 71 0.196 3.595 -5.674 1.00 0.00 O ATOM 1103 CB PHE A 71 0.369 6.616 -5.237 1.00 0.00 C ATOM 1104 CG PHE A 71 0.369 7.547 -4.023 1.00 0.00 C ATOM 1105 CD1 PHE A 71 0.139 7.045 -2.780 1.00 0.00 C ATOM 1106 CD2 PHE A 71 0.600 8.878 -4.186 1.00 0.00 C ATOM 1107 CE1 PHE A 71 0.140 7.909 -1.653 1.00 0.00 C ATOM 1108 CE2 PHE A 71 0.601 9.742 -3.059 1.00 0.00 C ATOM 1109 CZ PHE A 71 0.371 9.239 -1.816 1.00 0.00 C ATOM 0 H PHE A 71 2.512 7.122 -6.181 1.00 0.00 H new ATOM 0 HA PHE A 71 1.686 5.206 -4.211 1.00 0.00 H new ATOM 0 HB2 PHE A 71 0.463 7.216 -6.142 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -0.593 6.106 -5.291 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -0.045 5.989 -2.650 1.00 0.00 H new ATOM 0 HD2 PHE A 71 0.783 9.277 -5.173 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -0.043 7.510 -0.666 1.00 0.00 H new ATOM 0 HE2 PHE A 71 0.784 10.798 -3.189 1.00 0.00 H new ATOM 0 HZ PHE A 71 0.372 9.896 -0.959 1.00 0.00 H new ATOM 1119 N THR A 72 1.686 4.267 -7.237 1.00 0.00 N ATOM 1120 CA THR A 72 1.384 3.180 -8.152 1.00 0.00 C ATOM 1121 C THR A 72 2.458 2.094 -8.064 1.00 0.00 C ATOM 1122 O THR A 72 2.142 0.907 -7.998 1.00 0.00 O ATOM 1123 CB THR A 72 1.232 3.771 -9.555 1.00 0.00 C ATOM 1124 OG1 THR A 72 2.568 4.069 -9.953 1.00 0.00 O ATOM 1125 CG2 THR A 72 0.534 5.133 -9.544 1.00 0.00 C ATOM 0 H THR A 72 2.401 4.915 -7.566 1.00 0.00 H new ATOM 0 HA THR A 72 0.448 2.689 -7.887 1.00 0.00 H new ATOM 0 HB THR A 72 0.669 3.079 -10.181 1.00 0.00 H new ATOM 0 HG1 THR A 72 2.563 4.455 -10.854 1.00 0.00 H new ATOM 0 HG21 THR A 72 0.452 5.508 -10.564 1.00 0.00 H new ATOM 0 HG22 THR A 72 -0.462 5.028 -9.114 1.00 0.00 H new ATOM 0 HG23 THR A 72 1.115 5.835 -8.945 1.00 0.00 H new ATOM 1133 N MET A 73 3.706 2.539 -8.066 1.00 0.00 N ATOM 1134 CA MET A 73 4.828 1.620 -7.986 1.00 0.00 C ATOM 1135 C MET A 73 4.650 0.635 -6.829 1.00 0.00 C ATOM 1136 O MET A 73 5.074 -0.516 -6.919 1.00 0.00 O ATOM 1137 CB MET A 73 6.123 2.411 -7.788 1.00 0.00 C ATOM 1138 CG MET A 73 6.459 3.233 -9.034 1.00 0.00 C ATOM 1139 SD MET A 73 7.273 2.203 -10.244 1.00 0.00 S ATOM 1140 CE MET A 73 8.718 1.717 -9.315 1.00 0.00 C ATOM 0 H MET A 73 3.965 3.524 -8.122 1.00 0.00 H new ATOM 0 HA MET A 73 4.876 1.054 -8.916 1.00 0.00 H new ATOM 0 HB2 MET A 73 6.021 3.073 -6.928 1.00 0.00 H new ATOM 0 HB3 MET A 73 6.942 1.726 -7.568 1.00 0.00 H new ATOM 0 HG2 MET A 73 5.548 3.655 -9.458 1.00 0.00 H new ATOM 0 HG3 MET A 73 7.103 4.070 -8.765 1.00 0.00 H new ATOM 0 HE1 MET A 73 9.550 1.549 -9.998 1.00 0.00 H new ATOM 0 HE2 MET A 73 8.980 2.506 -8.611 1.00 0.00 H new ATOM 0 HE3 MET A 73 8.507 0.798 -8.768 1.00 0.00 H new ATOM 1150 N VAL A 74 4.022 1.123 -5.770 1.00 0.00 N ATOM 1151 CA VAL A 74 3.782 0.300 -4.597 1.00 0.00 C ATOM 1152 C VAL A 74 3.338 -1.095 -5.040 1.00 0.00 C ATOM 1153 O VAL A 74 3.992 -2.088 -4.725 1.00 0.00 O ATOM 1154 CB VAL A 74 2.771 0.985 -3.675 1.00 0.00 C ATOM 1155 CG1 VAL A 74 2.274 0.022 -2.595 1.00 0.00 C ATOM 1156 CG2 VAL A 74 3.366 2.249 -3.051 1.00 0.00 C ATOM 0 H VAL A 74 3.672 2.078 -5.700 1.00 0.00 H new ATOM 0 HA VAL A 74 4.699 0.181 -4.020 1.00 0.00 H new ATOM 0 HB VAL A 74 1.914 1.282 -4.280 1.00 0.00 H new ATOM 0 HG11 VAL A 74 1.557 0.534 -1.953 1.00 0.00 H new ATOM 0 HG12 VAL A 74 1.793 -0.835 -3.066 1.00 0.00 H new ATOM 0 HG13 VAL A 74 3.118 -0.319 -1.996 1.00 0.00 H new ATOM 0 HG21 VAL A 74 2.627 2.716 -2.400 1.00 0.00 H new ATOM 0 HG22 VAL A 74 4.248 1.986 -2.468 1.00 0.00 H new ATOM 0 HG23 VAL A 74 3.647 2.946 -3.840 1.00 0.00 H new ATOM 1166 N SER A 75 2.229 -1.126 -5.765 1.00 0.00 N ATOM 1167 CA SER A 75 1.690 -2.383 -6.255 1.00 0.00 C ATOM 1168 C SER A 75 2.829 -3.307 -6.688 1.00 0.00 C ATOM 1169 O SER A 75 2.742 -4.524 -6.526 1.00 0.00 O ATOM 1170 CB SER A 75 0.723 -2.151 -7.418 1.00 0.00 C ATOM 1171 OG SER A 75 -0.214 -3.217 -7.553 1.00 0.00 O ATOM 0 H SER A 75 1.689 -0.300 -6.025 1.00 0.00 H new ATOM 0 HA SER A 75 1.135 -2.856 -5.445 1.00 0.00 H new ATOM 0 HB2 SER A 75 0.187 -1.215 -7.263 1.00 0.00 H new ATOM 0 HB3 SER A 75 1.288 -2.045 -8.344 1.00 0.00 H new ATOM 0 HG SER A 75 -0.815 -3.031 -8.305 1.00 0.00 H new ATOM 1177 N GLN A 76 3.872 -2.696 -7.230 1.00 0.00 N ATOM 1178 CA GLN A 76 5.027 -3.449 -7.687 1.00 0.00 C ATOM 1179 C GLN A 76 5.994 -3.693 -6.528 1.00 0.00 C ATOM 1180 O GLN A 76 6.343 -4.836 -6.235 1.00 0.00 O ATOM 1181 CB GLN A 76 5.727 -2.732 -8.843 1.00 0.00 C ATOM 1182 CG GLN A 76 7.204 -3.123 -8.918 1.00 0.00 C ATOM 1183 CD GLN A 76 7.702 -3.112 -10.365 1.00 0.00 C ATOM 1184 OE1 GLN A 76 7.979 -2.075 -10.945 1.00 0.00 O ATOM 1185 NE2 GLN A 76 7.799 -4.320 -10.913 1.00 0.00 N ATOM 0 H GLN A 76 3.941 -1.687 -7.363 1.00 0.00 H new ATOM 0 HA GLN A 76 4.683 -4.415 -8.057 1.00 0.00 H new ATOM 0 HB2 GLN A 76 5.233 -2.981 -9.782 1.00 0.00 H new ATOM 0 HB3 GLN A 76 5.639 -1.653 -8.713 1.00 0.00 H new ATOM 0 HG2 GLN A 76 7.798 -2.431 -8.320 1.00 0.00 H new ATOM 0 HG3 GLN A 76 7.343 -4.115 -8.489 1.00 0.00 H new ATOM 0 HE21 GLN A 76 7.551 -5.147 -10.371 1.00 0.00 H new ATOM 0 HE22 GLN A 76 8.122 -4.419 -11.876 1.00 0.00 H new ATOM 1194 N LYS A 77 6.401 -2.601 -5.898 1.00 0.00 N ATOM 1195 CA LYS A 77 7.321 -2.682 -4.777 1.00 0.00 C ATOM 1196 C LYS A 77 6.791 -3.695 -3.760 1.00 0.00 C ATOM 1197 O LYS A 77 7.509 -4.609 -3.357 1.00 0.00 O ATOM 1198 CB LYS A 77 7.572 -1.293 -4.187 1.00 0.00 C ATOM 1199 CG LYS A 77 8.371 -0.421 -5.159 1.00 0.00 C ATOM 1200 CD LYS A 77 9.873 -0.538 -4.893 1.00 0.00 C ATOM 1201 CE LYS A 77 10.626 0.664 -5.464 1.00 0.00 C ATOM 1202 NZ LYS A 77 12.048 0.324 -5.694 1.00 0.00 N ATOM 0 H LYS A 77 6.110 -1.655 -6.143 1.00 0.00 H new ATOM 0 HA LYS A 77 8.295 -3.042 -5.109 1.00 0.00 H new ATOM 0 HB2 LYS A 77 6.620 -0.813 -3.960 1.00 0.00 H new ATOM 0 HB3 LYS A 77 8.114 -1.386 -3.246 1.00 0.00 H new ATOM 0 HG2 LYS A 77 8.155 -0.722 -6.184 1.00 0.00 H new ATOM 0 HG3 LYS A 77 8.060 0.619 -5.060 1.00 0.00 H new ATOM 0 HD2 LYS A 77 10.052 -0.607 -3.820 1.00 0.00 H new ATOM 0 HD3 LYS A 77 10.255 -1.456 -5.339 1.00 0.00 H new ATOM 0 HE2 LYS A 77 10.165 0.978 -6.401 1.00 0.00 H new ATOM 0 HE3 LYS A 77 10.554 1.506 -4.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 12.544 1.151 -6.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 12.489 0.046 -4.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 12.112 -0.465 -6.368 1.00 0.00 H new ATOM 1216 N ILE A 78 5.539 -3.498 -3.374 1.00 0.00 N ATOM 1217 CA ILE A 78 4.905 -4.383 -2.412 1.00 0.00 C ATOM 1218 C ILE A 78 4.996 -5.825 -2.914 1.00 0.00 C ATOM 1219 O ILE A 78 5.216 -6.747 -2.130 1.00 0.00 O ATOM 1220 CB ILE A 78 3.475 -3.922 -2.122 1.00 0.00 C ATOM 1221 CG1 ILE A 78 2.582 -4.098 -3.352 1.00 0.00 C ATOM 1222 CG2 ILE A 78 3.458 -2.484 -1.601 1.00 0.00 C ATOM 1223 CD1 ILE A 78 1.816 -5.420 -3.289 1.00 0.00 C ATOM 0 H ILE A 78 4.947 -2.739 -3.710 1.00 0.00 H new ATOM 0 HA ILE A 78 5.428 -4.344 -1.457 1.00 0.00 H new ATOM 0 HB ILE A 78 3.065 -4.554 -1.334 1.00 0.00 H new ATOM 0 HG12 ILE A 78 1.878 -3.268 -3.416 1.00 0.00 H new ATOM 0 HG13 ILE A 78 3.191 -4.069 -4.255 1.00 0.00 H new ATOM 0 HG21 ILE A 78 2.430 -2.181 -1.403 1.00 0.00 H new ATOM 0 HG22 ILE A 78 4.038 -2.424 -0.680 1.00 0.00 H new ATOM 0 HG23 ILE A 78 3.894 -1.821 -2.348 1.00 0.00 H new ATOM 0 HD11 ILE A 78 1.189 -5.520 -4.175 1.00 0.00 H new ATOM 0 HD12 ILE A 78 2.523 -6.249 -3.249 1.00 0.00 H new ATOM 0 HD13 ILE A 78 1.189 -5.435 -2.397 1.00 0.00 H new ATOM 1235 N SER A 79 4.822 -5.976 -4.219 1.00 0.00 N ATOM 1236 CA SER A 79 4.882 -7.290 -4.836 1.00 0.00 C ATOM 1237 C SER A 79 6.162 -8.011 -4.407 1.00 0.00 C ATOM 1238 O SER A 79 6.132 -9.199 -4.089 1.00 0.00 O ATOM 1239 CB SER A 79 4.816 -7.187 -6.361 1.00 0.00 C ATOM 1240 OG SER A 79 6.112 -7.206 -6.954 1.00 0.00 O ATOM 0 H SER A 79 4.639 -5.209 -4.866 1.00 0.00 H new ATOM 0 HA SER A 79 4.019 -7.865 -4.501 1.00 0.00 H new ATOM 0 HB2 SER A 79 4.225 -8.014 -6.755 1.00 0.00 H new ATOM 0 HB3 SER A 79 4.303 -6.267 -6.640 1.00 0.00 H new ATOM 0 HG SER A 79 6.464 -6.293 -7.000 1.00 0.00 H new ATOM 1246 N HIS A 80 7.255 -7.263 -4.413 1.00 0.00 N ATOM 1247 CA HIS A 80 8.543 -7.816 -4.029 1.00 0.00 C ATOM 1248 C HIS A 80 8.495 -8.260 -2.566 1.00 0.00 C ATOM 1249 O HIS A 80 9.335 -9.041 -2.123 1.00 0.00 O ATOM 1250 CB HIS A 80 9.668 -6.817 -4.309 1.00 0.00 C ATOM 1251 CG HIS A 80 10.749 -7.350 -5.219 1.00 0.00 C ATOM 1252 ND1 HIS A 80 11.429 -8.529 -4.965 1.00 0.00 N ATOM 1253 CD2 HIS A 80 11.260 -6.854 -6.382 1.00 0.00 C ATOM 1254 CE1 HIS A 80 12.308 -8.723 -5.937 1.00 0.00 C ATOM 1255 NE2 HIS A 80 12.202 -7.683 -6.814 1.00 0.00 N ATOM 0 H HIS A 80 7.276 -6.278 -4.678 1.00 0.00 H new ATOM 0 HA HIS A 80 8.759 -8.697 -4.633 1.00 0.00 H new ATOM 0 HB2 HIS A 80 9.240 -5.920 -4.756 1.00 0.00 H new ATOM 0 HB3 HIS A 80 10.119 -6.518 -3.363 1.00 0.00 H new ATOM 0 HD2 HIS A 80 10.950 -5.941 -6.869 1.00 0.00 H new ATOM 0 HE1 HIS A 80 12.989 -9.557 -6.021 1.00 0.00 H new ATOM 0 HE2 HIS A 80 12.756 -7.563 -7.662 1.00 0.00 H new ATOM 1263 N HIS A 81 7.503 -7.743 -1.856 1.00 0.00 N ATOM 1264 CA HIS A 81 7.334 -8.076 -0.452 1.00 0.00 C ATOM 1265 C HIS A 81 6.261 -9.157 -0.307 1.00 0.00 C ATOM 1266 O HIS A 81 6.368 -10.032 0.551 1.00 0.00 O ATOM 1267 CB HIS A 81 7.029 -6.823 0.371 1.00 0.00 C ATOM 1268 CG HIS A 81 8.119 -5.779 0.326 1.00 0.00 C ATOM 1269 ND1 HIS A 81 9.397 -6.008 0.806 1.00 0.00 N ATOM 1270 CD2 HIS A 81 8.109 -4.500 -0.147 1.00 0.00 C ATOM 1271 CE1 HIS A 81 10.115 -4.909 0.626 1.00 0.00 C ATOM 1272 NE2 HIS A 81 9.314 -3.975 0.035 1.00 0.00 N ATOM 0 H HIS A 81 6.808 -7.096 -2.227 1.00 0.00 H new ATOM 0 HA HIS A 81 8.265 -8.482 -0.056 1.00 0.00 H new ATOM 0 HB2 HIS A 81 6.101 -6.380 0.010 1.00 0.00 H new ATOM 0 HB3 HIS A 81 6.861 -7.114 1.408 1.00 0.00 H new ATOM 0 HD2 HIS A 81 7.263 -3.999 -0.594 1.00 0.00 H new ATOM 0 HE1 HIS A 81 11.151 -4.776 0.899 1.00 0.00 H new ATOM 0 HE2 HIS A 81 9.595 -3.029 -0.224 1.00 0.00 H new ATOM 1280 N LEU A 82 5.250 -9.060 -1.158 1.00 0.00 N ATOM 1281 CA LEU A 82 4.158 -10.018 -1.135 1.00 0.00 C ATOM 1282 C LEU A 82 4.724 -11.433 -1.266 1.00 0.00 C ATOM 1283 O LEU A 82 5.461 -11.726 -2.206 1.00 0.00 O ATOM 1284 CB LEU A 82 3.117 -9.671 -2.202 1.00 0.00 C ATOM 1285 CG LEU A 82 2.485 -8.281 -2.095 1.00 0.00 C ATOM 1286 CD1 LEU A 82 1.241 -8.176 -2.979 1.00 0.00 C ATOM 1287 CD2 LEU A 82 2.185 -7.926 -0.638 1.00 0.00 C ATOM 0 H LEU A 82 5.164 -8.333 -1.868 1.00 0.00 H new ATOM 0 HA LEU A 82 3.631 -9.972 -0.182 1.00 0.00 H new ATOM 0 HB2 LEU A 82 3.586 -9.761 -3.182 1.00 0.00 H new ATOM 0 HB3 LEU A 82 2.321 -10.415 -2.160 1.00 0.00 H new ATOM 0 HG LEU A 82 3.204 -7.549 -2.463 1.00 0.00 H new ATOM 0 HD11 LEU A 82 0.811 -7.179 -2.885 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.517 -8.356 -4.018 1.00 0.00 H new ATOM 0 HD13 LEU A 82 0.508 -8.919 -2.665 1.00 0.00 H new ATOM 0 HD21 LEU A 82 1.737 -6.934 -0.590 1.00 0.00 H new ATOM 0 HD22 LEU A 82 1.493 -8.657 -0.220 1.00 0.00 H new ATOM 0 HD23 LEU A 82 3.111 -7.934 -0.064 1.00 0.00 H new ATOM 1299 N SER A 83 4.358 -12.273 -0.309 1.00 0.00 N ATOM 1300 CA SER A 83 4.820 -13.651 -0.305 1.00 0.00 C ATOM 1301 C SER A 83 3.630 -14.602 -0.158 1.00 0.00 C ATOM 1302 O SER A 83 2.585 -14.217 0.363 1.00 0.00 O ATOM 1303 CB SER A 83 5.832 -13.889 0.817 1.00 0.00 C ATOM 1304 OG SER A 83 7.034 -13.150 0.618 1.00 0.00 O ATOM 0 H SER A 83 3.747 -12.026 0.469 1.00 0.00 H new ATOM 0 HA SER A 83 5.318 -13.847 -1.254 1.00 0.00 H new ATOM 0 HB2 SER A 83 5.387 -13.608 1.772 1.00 0.00 H new ATOM 0 HB3 SER A 83 6.066 -14.952 0.875 1.00 0.00 H new ATOM 0 HG SER A 83 6.829 -12.192 0.596 1.00 0.00 H new ATOM 1310 N PRO A 84 3.835 -15.857 -0.639 1.00 0.00 N ATOM 1311 CA PRO A 84 2.792 -16.866 -0.566 1.00 0.00 C ATOM 1312 C PRO A 84 2.643 -17.399 0.860 1.00 0.00 C ATOM 1313 O PRO A 84 3.606 -17.893 1.446 1.00 0.00 O ATOM 1314 CB PRO A 84 3.210 -17.937 -1.560 1.00 0.00 C ATOM 1315 CG PRO A 84 4.693 -17.718 -1.810 1.00 0.00 C ATOM 1316 CD PRO A 84 5.060 -16.348 -1.263 1.00 0.00 C ATOM 0 HA PRO A 84 1.807 -16.472 -0.817 1.00 0.00 H new ATOM 0 HB2 PRO A 84 3.024 -18.934 -1.161 1.00 0.00 H new ATOM 0 HB3 PRO A 84 2.641 -17.854 -2.486 1.00 0.00 H new ATOM 0 HG2 PRO A 84 5.281 -18.494 -1.321 1.00 0.00 H new ATOM 0 HG3 PRO A 84 4.913 -17.775 -2.876 1.00 0.00 H new ATOM 0 HD2 PRO A 84 5.873 -16.415 -0.540 1.00 0.00 H new ATOM 0 HD3 PRO A 84 5.394 -15.681 -2.058 1.00 0.00 H new ATOM 1324 N PRO A 85 1.398 -17.278 1.392 1.00 0.00 N ATOM 1325 CA PRO A 85 1.111 -17.742 2.739 1.00 0.00 C ATOM 1326 C PRO A 85 1.020 -19.269 2.785 1.00 0.00 C ATOM 1327 O PRO A 85 1.063 -19.929 1.748 1.00 0.00 O ATOM 1328 CB PRO A 85 -0.191 -17.058 3.122 1.00 0.00 C ATOM 1329 CG PRO A 85 -0.824 -16.606 1.816 1.00 0.00 C ATOM 1330 CD PRO A 85 0.234 -16.699 0.729 1.00 0.00 C ATOM 0 HA PRO A 85 1.901 -17.491 3.447 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -0.848 -17.742 3.659 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -0.007 -16.210 3.781 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -1.681 -17.233 1.570 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -1.192 -15.584 1.904 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -0.102 -17.324 -0.098 1.00 0.00 H new ATOM 0 HD3 PRO A 85 0.462 -15.717 0.314 1.00 0.00 H new ATOM 1338 N PRO A 86 0.893 -19.800 4.031 1.00 0.00 N ATOM 1339 CA PRO A 86 0.796 -21.236 4.226 1.00 0.00 C ATOM 1340 C PRO A 86 -0.589 -21.751 3.828 1.00 0.00 C ATOM 1341 O PRO A 86 -1.599 -21.319 4.380 1.00 0.00 O ATOM 1342 CB PRO A 86 1.110 -21.456 5.697 1.00 0.00 C ATOM 1343 CG PRO A 86 0.915 -20.107 6.371 1.00 0.00 C ATOM 1344 CD PRO A 86 0.838 -19.049 5.282 1.00 0.00 C ATOM 0 HA PRO A 86 1.490 -21.793 3.596 1.00 0.00 H new ATOM 0 HB2 PRO A 86 0.449 -22.208 6.129 1.00 0.00 H new ATOM 0 HB3 PRO A 86 2.131 -21.815 5.829 1.00 0.00 H new ATOM 0 HG2 PRO A 86 0.003 -20.107 6.968 1.00 0.00 H new ATOM 0 HG3 PRO A 86 1.741 -19.897 7.050 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -0.083 -18.470 5.356 1.00 0.00 H new ATOM 0 HD3 PRO A 86 1.665 -18.343 5.357 1.00 0.00 H new ATOM 1352 N PRO A 87 -0.591 -22.693 2.846 1.00 0.00 N ATOM 1353 CA PRO A 87 -1.835 -23.271 2.367 1.00 0.00 C ATOM 1354 C PRO A 87 -2.398 -24.273 3.377 1.00 0.00 C ATOM 1355 O PRO A 87 -1.879 -24.402 4.484 1.00 0.00 O ATOM 1356 CB PRO A 87 -1.485 -23.907 1.032 1.00 0.00 C ATOM 1357 CG PRO A 87 0.027 -24.067 1.030 1.00 0.00 C ATOM 1358 CD PRO A 87 0.586 -23.229 2.169 1.00 0.00 C ATOM 0 HA PRO A 87 -2.624 -22.529 2.245 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -1.980 -24.871 0.917 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -1.812 -23.280 0.203 1.00 0.00 H new ATOM 0 HG2 PRO A 87 0.300 -25.115 1.157 1.00 0.00 H new ATOM 0 HG3 PRO A 87 0.444 -23.742 0.077 1.00 0.00 H new ATOM 0 HD2 PRO A 87 1.191 -23.833 2.845 1.00 0.00 H new ATOM 0 HD3 PRO A 87 1.226 -22.430 1.796 1.00 0.00 H new ATOM 1366 N SER A 88 -3.454 -24.956 2.959 1.00 0.00 N ATOM 1367 CA SER A 88 -4.093 -25.943 3.813 1.00 0.00 C ATOM 1368 C SER A 88 -5.371 -26.460 3.149 1.00 0.00 C ATOM 1369 O SER A 88 -6.188 -25.675 2.671 1.00 0.00 O ATOM 1370 CB SER A 88 -4.410 -25.356 5.190 1.00 0.00 C ATOM 1371 OG SER A 88 -3.589 -25.916 6.211 1.00 0.00 O ATOM 0 H SER A 88 -3.883 -24.845 2.040 1.00 0.00 H new ATOM 0 HA SER A 88 -3.402 -26.774 3.953 1.00 0.00 H new ATOM 0 HB2 SER A 88 -4.270 -24.275 5.164 1.00 0.00 H new ATOM 0 HB3 SER A 88 -5.458 -25.536 5.428 1.00 0.00 H new ATOM 0 HG SER A 88 -2.656 -25.660 6.057 1.00 0.00 H new ATOM 1377 N GLY A 89 -5.504 -27.778 3.142 1.00 0.00 N ATOM 1378 CA GLY A 89 -6.669 -28.409 2.545 1.00 0.00 C ATOM 1379 C GLY A 89 -6.254 -29.510 1.566 1.00 0.00 C ATOM 1380 O GLY A 89 -5.768 -30.562 1.979 1.00 0.00 O ATOM 0 H GLY A 89 -4.825 -28.426 3.540 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -7.299 -28.832 3.327 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -7.266 -27.660 2.024 1.00 0.00 H new ATOM 1384 N PRO A 90 -6.467 -29.222 0.254 1.00 0.00 N ATOM 1385 CA PRO A 90 -6.121 -30.175 -0.787 1.00 0.00 C ATOM 1386 C PRO A 90 -4.608 -30.222 -1.007 1.00 0.00 C ATOM 1387 O PRO A 90 -3.861 -29.483 -0.367 1.00 0.00 O ATOM 1388 CB PRO A 90 -6.886 -29.711 -2.015 1.00 0.00 C ATOM 1389 CG PRO A 90 -7.261 -28.262 -1.750 1.00 0.00 C ATOM 1390 CD PRO A 90 -7.041 -27.987 -0.271 1.00 0.00 C ATOM 0 HA PRO A 90 -6.393 -31.198 -0.528 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -6.274 -29.798 -2.913 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -7.775 -30.321 -2.175 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -6.652 -27.593 -2.358 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -8.301 -28.081 -2.021 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -6.368 -27.143 -0.121 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -7.977 -27.741 0.230 1.00 0.00 H new ATOM 1398 N SER A 91 -4.201 -31.097 -1.914 1.00 0.00 N ATOM 1399 CA SER A 91 -2.790 -31.250 -2.226 1.00 0.00 C ATOM 1400 C SER A 91 -2.012 -31.624 -0.964 1.00 0.00 C ATOM 1401 O SER A 91 -1.799 -30.786 -0.089 1.00 0.00 O ATOM 1402 CB SER A 91 -2.220 -29.969 -2.840 1.00 0.00 C ATOM 1403 OG SER A 91 -0.954 -30.190 -3.456 1.00 0.00 O ATOM 0 H SER A 91 -4.823 -31.708 -2.443 1.00 0.00 H new ATOM 0 HA SER A 91 -2.687 -32.050 -2.959 1.00 0.00 H new ATOM 0 HB2 SER A 91 -2.920 -29.579 -3.579 1.00 0.00 H new ATOM 0 HB3 SER A 91 -2.118 -29.209 -2.065 1.00 0.00 H new ATOM 0 HG SER A 91 -0.625 -29.349 -3.837 1.00 0.00 H new ATOM 1409 N SER A 92 -1.608 -32.885 -0.908 1.00 0.00 N ATOM 1410 CA SER A 92 -0.858 -33.381 0.233 1.00 0.00 C ATOM 1411 C SER A 92 -1.659 -33.167 1.519 1.00 0.00 C ATOM 1412 O SER A 92 -2.604 -32.380 1.542 1.00 0.00 O ATOM 1413 CB SER A 92 0.505 -32.695 0.337 1.00 0.00 C ATOM 1414 OG SER A 92 1.439 -33.218 -0.604 1.00 0.00 O ATOM 0 H SER A 92 -1.786 -33.578 -1.635 1.00 0.00 H new ATOM 0 HA SER A 92 -0.687 -34.448 0.092 1.00 0.00 H new ATOM 0 HB2 SER A 92 0.385 -31.624 0.172 1.00 0.00 H new ATOM 0 HB3 SER A 92 0.898 -32.820 1.346 1.00 0.00 H new ATOM 0 HG SER A 92 2.296 -32.753 -0.507 1.00 0.00 H new ATOM 1420 N GLY A 93 -1.252 -33.881 2.558 1.00 0.00 N ATOM 1421 CA GLY A 93 -1.920 -33.779 3.844 1.00 0.00 C ATOM 1422 C GLY A 93 -2.285 -35.164 4.384 1.00 0.00 C ATOM 1423 O GLY A 93 -2.118 -36.167 3.693 1.00 0.00 O ATOM 0 H GLY A 93 -0.468 -34.533 2.535 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -1.272 -33.267 4.555 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -2.822 -33.175 3.743 1.00 0.00 H new TER 1427 GLY A 93