USER MOD reduce.3.24.130724 H: found=0, std=0, add=785, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 784 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 64 SER OG : rot -171:sc= 0.185 USER MOD Set 1.2: A 98 TYR OH : rot 30:sc= 0.143 USER MOD Single : A 12 THR OG1 : rot 19:sc= 0.626 USER MOD Single : A 14 HIS : no HD1:sc= -0.0454 X(o=-0.045,f=-0.052) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.0411 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ -176:sc= 0.346 (180deg=0.337) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.0859 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.148 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 THR OG1 : rot 77:sc= 0.549 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= 0 X(o=0,f=-0.0011) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0471) USER MOD Single : A 70 ASN : amide:sc= -0.743 K(o=-0.74,f=-2.8!) USER MOD Single : A 71 SER OG : rot 180:sc= 0.026 USER MOD Single : A 72 SER OG : rot 180:sc= -0.257 USER MOD Single : A 79 GLN : amide:sc= -0.0107 K(o=-0.011,f=-1.4) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 TYR OH : rot 180:sc= -0.559 USER MOD Single : A 89 GLN : amide:sc= -0.0972 K(o=-0.097,f=-1.6!) USER MOD Single : A 91 THR OG1 : rot 180:sc= -0.197 USER MOD Single : A 94 MET CE :methyl 142:sc= -0.908 (180deg=-3.55!) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.0659 USER MOD Single : A 97 THR OG1 : rot 180:sc= -0.0297 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 LYS NZ :NH3+ -111:sc= -0.104 (180deg=-1.54!) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 12 0.352 1.368 -0.016 1.00 23.22 N ATOM 2 CA THR A 12 1.170 1.224 -1.214 1.00 14.42 C ATOM 3 C THR A 12 0.333 0.749 -2.396 1.00 64.42 C ATOM 4 O THR A 12 -0.557 -0.088 -2.243 1.00 24.13 O ATOM 5 CB THR A 12 2.329 0.235 -0.988 1.00 55.02 C ATOM 6 OG1 THR A 12 2.630 0.144 0.409 1.00 74.42 O ATOM 7 CG2 THR A 12 3.569 0.672 -1.752 1.00 64.20 C ATOM 0 HA THR A 12 1.582 2.208 -1.436 1.00 14.42 H new ATOM 0 HB THR A 12 2.020 -0.743 -1.357 1.00 55.02 H new ATOM 0 HG1 THR A 12 1.870 0.479 0.930 1.00 74.42 H new ATOM 0 HG21 THR A 12 4.374 -0.041 -1.577 1.00 64.20 H new ATOM 0 HG22 THR A 12 3.344 0.712 -2.818 1.00 64.20 H new ATOM 0 HG23 THR A 12 3.878 1.659 -1.409 1.00 64.20 H new ATOM 15 N ASP A 13 0.625 1.286 -3.575 1.00 42.25 N ATOM 16 CA ASP A 13 -0.099 0.915 -4.785 1.00 73.24 C ATOM 17 C ASP A 13 0.868 0.591 -5.920 1.00 33.42 C ATOM 18 O ASP A 13 1.830 1.322 -6.157 1.00 71.54 O ATOM 19 CB ASP A 13 -1.041 2.043 -5.208 1.00 51.32 C ATOM 20 CG ASP A 13 -1.720 2.705 -4.025 1.00 20.30 C ATOM 21 OD1 ASP A 13 -1.231 3.763 -3.575 1.00 72.51 O ATOM 22 OD2 ASP A 13 -2.741 2.165 -3.549 1.00 45.13 O ATOM 0 H ASP A 13 1.358 1.980 -3.719 1.00 42.25 H new ATOM 0 HA ASP A 13 -0.687 0.023 -4.567 1.00 73.24 H new ATOM 0 HB2 ASP A 13 -0.479 2.792 -5.766 1.00 51.32 H new ATOM 0 HB3 ASP A 13 -1.799 1.645 -5.883 1.00 51.32 H new ATOM 27 N HIS A 14 0.606 -0.511 -6.617 1.00 42.51 N ATOM 28 CA HIS A 14 1.454 -0.932 -7.727 1.00 31.13 C ATOM 29 C HIS A 14 0.628 -1.139 -8.993 1.00 22.31 C ATOM 30 O HIS A 14 -0.392 -1.827 -8.973 1.00 71.12 O ATOM 31 CB HIS A 14 2.194 -2.222 -7.370 1.00 13.43 C ATOM 32 CG HIS A 14 1.283 -3.358 -7.021 1.00 74.00 C ATOM 33 ND1 HIS A 14 0.959 -4.362 -7.909 1.00 34.45 N ATOM 34 CD2 HIS A 14 0.627 -3.647 -5.873 1.00 12.33 C ATOM 35 CE1 HIS A 14 0.142 -5.219 -7.322 1.00 15.22 C ATOM 36 NE2 HIS A 14 -0.075 -4.808 -6.085 1.00 53.44 N ATOM 0 H HIS A 14 -0.186 -1.127 -6.433 1.00 42.51 H new ATOM 0 HA HIS A 14 2.183 -0.144 -7.915 1.00 31.13 H new ATOM 0 HB2 HIS A 14 2.822 -2.516 -8.211 1.00 13.43 H new ATOM 0 HB3 HIS A 14 2.859 -2.029 -6.528 1.00 13.43 H new ATOM 0 HD2 HIS A 14 0.651 -3.071 -4.960 1.00 12.33 H new ATOM 0 HE1 HIS A 14 -0.277 -6.105 -7.776 1.00 15.22 H new ATOM 0 HE2 HIS A 14 -0.667 -5.277 -5.399 1.00 53.44 H new ATOM 44 N GLN A 15 1.076 -0.539 -10.091 1.00 25.13 N ATOM 45 CA GLN A 15 0.378 -0.657 -11.365 1.00 35.21 C ATOM 46 C GLN A 15 1.337 -1.072 -12.476 1.00 11.14 C ATOM 47 O GLN A 15 2.430 -0.520 -12.606 1.00 11.43 O ATOM 48 CB GLN A 15 -0.297 0.668 -11.726 1.00 22.45 C ATOM 49 CG GLN A 15 0.685 1.795 -12.000 1.00 1.23 C ATOM 50 CD GLN A 15 0.130 3.156 -11.627 1.00 71.15 C ATOM 51 OE1 GLN A 15 -1.047 3.441 -11.850 1.00 51.12 O ATOM 52 NE2 GLN A 15 0.976 4.005 -11.057 1.00 24.03 N ATOM 0 H GLN A 15 1.919 0.034 -10.124 1.00 25.13 H new ATOM 0 HA GLN A 15 -0.385 -1.429 -11.262 1.00 35.21 H new ATOM 0 HB2 GLN A 15 -0.922 0.520 -12.606 1.00 22.45 H new ATOM 0 HB3 GLN A 15 -0.958 0.963 -10.911 1.00 22.45 H new ATOM 0 HG2 GLN A 15 1.603 1.616 -11.441 1.00 1.23 H new ATOM 0 HG3 GLN A 15 0.950 1.792 -13.057 1.00 1.23 H new ATOM 0 HE21 GLN A 15 1.943 3.727 -10.891 1.00 24.03 H new ATOM 0 HE22 GLN A 15 0.659 4.936 -10.785 1.00 24.03 H new ATOM 61 N THR A 16 0.921 -2.049 -13.276 1.00 24.24 N ATOM 62 CA THR A 16 1.744 -2.539 -14.374 1.00 70.33 C ATOM 63 C THR A 16 0.882 -2.997 -15.545 1.00 53.31 C ATOM 64 O THR A 16 -0.059 -3.771 -15.371 1.00 33.11 O ATOM 65 CB THR A 16 2.642 -3.707 -13.926 1.00 23.52 C ATOM 66 OG1 THR A 16 2.751 -3.722 -12.498 1.00 53.01 O ATOM 67 CG2 THR A 16 4.028 -3.593 -14.543 1.00 52.35 C ATOM 0 H THR A 16 0.019 -2.516 -13.184 1.00 24.24 H new ATOM 0 HA THR A 16 2.373 -1.708 -14.692 1.00 70.33 H new ATOM 0 HB THR A 16 2.186 -4.637 -14.266 1.00 23.52 H new ATOM 0 HG1 THR A 16 3.322 -4.469 -12.221 1.00 53.01 H new ATOM 0 HG21 THR A 16 4.644 -4.429 -14.212 1.00 52.35 H new ATOM 0 HG22 THR A 16 3.945 -3.612 -15.630 1.00 52.35 H new ATOM 0 HG23 THR A 16 4.490 -2.656 -14.230 1.00 52.35 H new ATOM 75 N VAL A 17 1.209 -2.514 -16.739 1.00 51.55 N ATOM 76 CA VAL A 17 0.465 -2.875 -17.940 1.00 50.43 C ATOM 77 C VAL A 17 1.293 -3.775 -18.850 1.00 43.20 C ATOM 78 O VAL A 17 2.516 -3.648 -18.920 1.00 20.10 O ATOM 79 CB VAL A 17 0.032 -1.625 -18.729 1.00 40.34 C ATOM 80 CG1 VAL A 17 -0.867 -2.013 -19.893 1.00 40.34 C ATOM 81 CG2 VAL A 17 -0.667 -0.632 -17.813 1.00 31.22 C ATOM 0 H VAL A 17 1.984 -1.871 -16.901 1.00 51.55 H new ATOM 0 HA VAL A 17 -0.423 -3.414 -17.611 1.00 50.43 H new ATOM 0 HB VAL A 17 0.923 -1.146 -19.134 1.00 40.34 H new ATOM 0 HG11 VAL A 17 -1.163 -1.117 -20.439 1.00 40.34 H new ATOM 0 HG12 VAL A 17 -0.327 -2.684 -20.562 1.00 40.34 H new ATOM 0 HG13 VAL A 17 -1.756 -2.517 -19.514 1.00 40.34 H new ATOM 0 HG21 VAL A 17 -0.966 0.245 -18.387 1.00 31.22 H new ATOM 0 HG22 VAL A 17 -1.550 -1.099 -17.377 1.00 31.22 H new ATOM 0 HG23 VAL A 17 0.014 -0.330 -17.017 1.00 31.22 H new ATOM 91 N TYR A 18 0.620 -4.684 -19.546 1.00 14.21 N ATOM 92 CA TYR A 18 1.293 -5.607 -20.451 1.00 24.42 C ATOM 93 C TYR A 18 0.934 -5.307 -21.903 1.00 32.33 C ATOM 94 O TYR A 18 -0.241 -5.194 -22.253 1.00 61.02 O ATOM 95 CB TYR A 18 0.921 -7.051 -20.110 1.00 23.35 C ATOM 96 CG TYR A 18 1.011 -7.367 -18.634 1.00 25.24 C ATOM 97 CD1 TYR A 18 2.176 -7.890 -18.085 1.00 61.53 C ATOM 98 CD2 TYR A 18 -0.068 -7.144 -17.788 1.00 3.52 C ATOM 99 CE1 TYR A 18 2.263 -8.181 -16.738 1.00 21.35 C ATOM 100 CE2 TYR A 18 0.011 -7.430 -16.439 1.00 12.03 C ATOM 101 CZ TYR A 18 1.178 -7.949 -15.918 1.00 40.14 C ATOM 102 OH TYR A 18 1.260 -8.237 -14.575 1.00 53.12 O ATOM 0 H TYR A 18 -0.392 -4.801 -19.501 1.00 14.21 H new ATOM 0 HA TYR A 18 2.368 -5.477 -20.328 1.00 24.42 H new ATOM 0 HB2 TYR A 18 -0.095 -7.246 -20.454 1.00 23.35 H new ATOM 0 HB3 TYR A 18 1.578 -7.726 -20.658 1.00 23.35 H new ATOM 0 HD1 TYR A 18 3.028 -8.072 -18.723 1.00 61.53 H new ATOM 0 HD2 TYR A 18 -0.984 -6.740 -18.192 1.00 3.52 H new ATOM 0 HE1 TYR A 18 3.176 -8.588 -16.328 1.00 21.35 H new ATOM 0 HE2 TYR A 18 -0.837 -7.248 -15.795 1.00 12.03 H new ATOM 0 HH TYR A 18 0.410 -8.014 -14.140 1.00 53.12 H new ATOM 112 N VAL A 19 1.955 -5.180 -22.744 1.00 71.33 N ATOM 113 CA VAL A 19 1.749 -4.895 -24.159 1.00 74.22 C ATOM 114 C VAL A 19 2.536 -5.863 -25.035 1.00 72.23 C ATOM 115 O VAL A 19 3.625 -6.305 -24.669 1.00 10.13 O ATOM 116 CB VAL A 19 2.162 -3.453 -24.507 1.00 51.22 C ATOM 117 CG1 VAL A 19 1.776 -3.117 -25.940 1.00 31.52 C ATOM 118 CG2 VAL A 19 1.533 -2.469 -23.533 1.00 14.15 C ATOM 0 H VAL A 19 2.933 -5.270 -22.470 1.00 71.33 H new ATOM 0 HA VAL A 19 0.684 -5.017 -24.354 1.00 74.22 H new ATOM 0 HB VAL A 19 3.246 -3.374 -24.420 1.00 51.22 H new ATOM 0 HG11 VAL A 19 2.076 -2.094 -26.167 1.00 31.52 H new ATOM 0 HG12 VAL A 19 2.278 -3.803 -26.622 1.00 31.52 H new ATOM 0 HG13 VAL A 19 0.697 -3.213 -26.058 1.00 31.52 H new ATOM 0 HG21 VAL A 19 1.836 -1.455 -23.794 1.00 14.15 H new ATOM 0 HG22 VAL A 19 0.447 -2.549 -23.586 1.00 14.15 H new ATOM 0 HG23 VAL A 19 1.865 -2.697 -22.520 1.00 14.15 H new ATOM 128 N LYS A 20 1.978 -6.189 -26.196 1.00 73.41 N ATOM 129 CA LYS A 20 2.627 -7.104 -27.128 1.00 21.14 C ATOM 130 C LYS A 20 4.063 -6.670 -27.405 1.00 31.04 C ATOM 131 O LYS A 20 4.426 -5.504 -27.246 1.00 20.43 O ATOM 132 CB LYS A 20 1.841 -7.172 -28.439 1.00 45.12 C ATOM 133 CG LYS A 20 1.400 -5.813 -28.954 1.00 73.15 C ATOM 134 CD LYS A 20 1.437 -5.753 -30.472 1.00 62.13 C ATOM 135 CE LYS A 20 2.555 -4.849 -30.967 1.00 5.50 C ATOM 136 NZ LYS A 20 2.571 -4.747 -32.453 1.00 33.14 N ATOM 0 H LYS A 20 1.077 -5.833 -26.514 1.00 73.41 H new ATOM 0 HA LYS A 20 2.647 -8.094 -26.672 1.00 21.14 H new ATOM 0 HB2 LYS A 20 2.456 -7.657 -29.197 1.00 45.12 H new ATOM 0 HB3 LYS A 20 0.961 -7.799 -28.294 1.00 45.12 H new ATOM 0 HG2 LYS A 20 0.389 -5.601 -28.605 1.00 73.15 H new ATOM 0 HG3 LYS A 20 2.048 -5.039 -28.542 1.00 73.15 H new ATOM 0 HD2 LYS A 20 1.575 -6.757 -30.874 1.00 62.13 H new ATOM 0 HD3 LYS A 20 0.480 -5.388 -30.846 1.00 62.13 H new ATOM 0 HE2 LYS A 20 2.435 -3.855 -30.536 1.00 5.50 H new ATOM 0 HE3 LYS A 20 3.514 -5.234 -30.619 1.00 5.50 H new ATOM 0 HZ1 LYS A 20 3.388 -4.177 -32.753 1.00 33.14 H new ATOM 0 HZ2 LYS A 20 2.643 -5.699 -32.866 1.00 33.14 H new ATOM 0 HZ3 LYS A 20 1.694 -4.293 -32.779 1.00 33.14 H new ATOM 150 N PRO A 21 4.900 -7.628 -27.830 1.00 51.21 N ATOM 151 CA PRO A 21 6.309 -7.367 -28.140 1.00 72.32 C ATOM 152 C PRO A 21 6.479 -6.523 -29.398 1.00 51.25 C ATOM 153 O PRO A 21 5.534 -6.334 -30.164 1.00 74.43 O ATOM 154 CB PRO A 21 6.890 -8.767 -28.353 1.00 71.32 C ATOM 155 CG PRO A 21 5.727 -9.601 -28.767 1.00 33.34 C ATOM 156 CD PRO A 21 4.535 -9.039 -28.042 1.00 3.31 C ATOM 0 HA PRO A 21 6.802 -6.801 -27.350 1.00 72.32 H new ATOM 0 HB2 PRO A 21 7.666 -8.761 -29.119 1.00 71.32 H new ATOM 0 HB3 PRO A 21 7.346 -9.149 -27.440 1.00 71.32 H new ATOM 0 HG2 PRO A 21 5.582 -9.560 -29.847 1.00 33.34 H new ATOM 0 HG3 PRO A 21 5.885 -10.647 -28.506 1.00 33.34 H new ATOM 0 HD2 PRO A 21 3.624 -9.134 -28.632 1.00 3.31 H new ATOM 0 HD3 PRO A 21 4.359 -9.555 -27.098 1.00 3.31 H new ATOM 164 N VAL A 22 7.690 -6.016 -29.607 1.00 22.54 N ATOM 165 CA VAL A 22 7.985 -5.193 -30.773 1.00 74.23 C ATOM 166 C VAL A 22 8.870 -5.941 -31.764 1.00 41.51 C ATOM 167 O VAL A 22 9.606 -6.860 -31.406 1.00 22.02 O ATOM 168 CB VAL A 22 8.679 -3.878 -30.372 1.00 32.24 C ATOM 169 CG1 VAL A 22 7.677 -2.911 -29.760 1.00 2.33 C ATOM 170 CG2 VAL A 22 9.824 -4.153 -29.408 1.00 74.35 C ATOM 0 H VAL A 22 8.483 -6.161 -28.983 1.00 22.54 H new ATOM 0 HA VAL A 22 7.031 -4.961 -31.246 1.00 74.23 H new ATOM 0 HB VAL A 22 9.092 -3.417 -31.269 1.00 32.24 H new ATOM 0 HG11 VAL A 22 8.185 -1.987 -29.483 1.00 2.33 H new ATOM 0 HG12 VAL A 22 6.894 -2.691 -30.486 1.00 2.33 H new ATOM 0 HG13 VAL A 22 7.233 -3.361 -28.872 1.00 2.33 H new ATOM 0 HG21 VAL A 22 10.303 -3.213 -29.135 1.00 74.35 H new ATOM 0 HG22 VAL A 22 9.436 -4.637 -28.511 1.00 74.35 H new ATOM 0 HG23 VAL A 22 10.553 -4.807 -29.886 1.00 74.35 H new ATOM 180 N PRO A 23 8.799 -5.538 -33.041 1.00 43.35 N ATOM 181 CA PRO A 23 9.589 -6.155 -34.111 1.00 71.41 C ATOM 182 C PRO A 23 11.076 -5.839 -33.991 1.00 54.51 C ATOM 183 O PRO A 23 11.490 -4.968 -33.225 1.00 34.32 O ATOM 184 CB PRO A 23 9.010 -5.532 -35.384 1.00 64.30 C ATOM 185 CG PRO A 23 8.440 -4.229 -34.942 1.00 41.23 C ATOM 186 CD PRO A 23 7.944 -4.448 -33.540 1.00 35.00 C ATOM 0 HA PRO A 23 9.528 -7.243 -34.087 1.00 71.41 H new ATOM 0 HB2 PRO A 23 9.781 -5.390 -36.141 1.00 64.30 H new ATOM 0 HB3 PRO A 23 8.244 -6.170 -35.824 1.00 64.30 H new ATOM 0 HG2 PRO A 23 9.195 -3.443 -34.971 1.00 41.23 H new ATOM 0 HG3 PRO A 23 7.628 -3.915 -35.598 1.00 41.23 H new ATOM 0 HD2 PRO A 23 8.045 -3.548 -32.933 1.00 35.00 H new ATOM 0 HD3 PRO A 23 6.890 -4.726 -33.526 1.00 35.00 H new ATOM 194 N PRO A 24 11.900 -6.560 -34.766 1.00 14.33 N ATOM 195 CA PRO A 24 13.353 -6.372 -34.764 1.00 65.24 C ATOM 196 C PRO A 24 13.767 -5.045 -35.391 1.00 3.01 C ATOM 197 O PRO A 24 14.885 -4.570 -35.184 1.00 73.14 O ATOM 198 CB PRO A 24 13.863 -7.544 -35.608 1.00 11.41 C ATOM 199 CG PRO A 24 12.721 -7.895 -36.497 1.00 54.03 C ATOM 200 CD PRO A 24 11.475 -7.613 -35.703 1.00 24.42 C ATOM 0 HA PRO A 24 13.759 -6.348 -33.753 1.00 65.24 H new ATOM 0 HB2 PRO A 24 14.743 -7.262 -36.186 1.00 11.41 H new ATOM 0 HB3 PRO A 24 14.151 -8.388 -34.981 1.00 11.41 H new ATOM 0 HG2 PRO A 24 12.743 -7.303 -37.412 1.00 54.03 H new ATOM 0 HG3 PRO A 24 12.766 -8.943 -36.794 1.00 54.03 H new ATOM 0 HD2 PRO A 24 10.659 -7.277 -36.342 1.00 24.42 H new ATOM 0 HD3 PRO A 24 11.124 -8.501 -35.177 1.00 24.42 H new ATOM 208 N THR A 25 12.859 -4.449 -36.158 1.00 3.03 N ATOM 209 CA THR A 25 13.130 -3.177 -36.815 1.00 3.31 C ATOM 210 C THR A 25 12.883 -2.006 -35.870 1.00 65.20 C ATOM 211 O THR A 25 13.650 -1.044 -35.846 1.00 54.51 O ATOM 212 CB THR A 25 12.260 -2.998 -38.074 1.00 25.15 C ATOM 213 OG1 THR A 25 11.330 -4.081 -38.184 1.00 11.24 O ATOM 214 CG2 THR A 25 13.124 -2.936 -39.324 1.00 44.01 C ATOM 0 H THR A 25 11.929 -4.827 -36.339 1.00 3.03 H new ATOM 0 HA THR A 25 14.180 -3.190 -37.107 1.00 3.31 H new ATOM 0 HB THR A 25 11.714 -2.059 -37.982 1.00 25.15 H new ATOM 0 HG1 THR A 25 10.779 -3.959 -38.986 1.00 11.24 H new ATOM 0 HG21 THR A 25 12.488 -2.809 -40.200 1.00 44.01 H new ATOM 0 HG22 THR A 25 13.811 -2.093 -39.250 1.00 44.01 H new ATOM 0 HG23 THR A 25 13.693 -3.861 -39.419 1.00 44.01 H new ATOM 222 N ALA A 26 11.810 -2.096 -35.092 1.00 54.02 N ATOM 223 CA ALA A 26 11.464 -1.045 -34.143 1.00 73.13 C ATOM 224 C ALA A 26 12.591 -0.816 -33.142 1.00 62.43 C ATOM 225 O ALA A 26 12.877 -1.674 -32.306 1.00 64.22 O ATOM 226 CB ALA A 26 10.173 -1.394 -33.417 1.00 1.22 C ATOM 0 H ALA A 26 11.165 -2.886 -35.100 1.00 54.02 H new ATOM 0 HA ALA A 26 11.316 -0.120 -34.701 1.00 73.13 H new ATOM 0 HB1 ALA A 26 9.926 -0.601 -32.711 1.00 1.22 H new ATOM 0 HB2 ALA A 26 9.365 -1.499 -34.141 1.00 1.22 H new ATOM 0 HB3 ALA A 26 10.301 -2.332 -32.877 1.00 1.22 H new ATOM 232 N THR A 27 13.230 0.346 -33.233 1.00 21.03 N ATOM 233 CA THR A 27 14.328 0.687 -32.336 1.00 73.45 C ATOM 234 C THR A 27 13.811 1.329 -31.054 1.00 43.02 C ATOM 235 O THR A 27 12.615 1.587 -30.915 1.00 31.32 O ATOM 236 CB THR A 27 15.327 1.645 -33.011 1.00 40.21 C ATOM 237 OG1 THR A 27 14.750 2.950 -33.129 1.00 43.53 O ATOM 238 CG2 THR A 27 15.722 1.133 -34.388 1.00 45.40 C ATOM 0 H THR A 27 13.006 1.067 -33.919 1.00 21.03 H new ATOM 0 HA THR A 27 14.838 -0.245 -32.092 1.00 73.45 H new ATOM 0 HB THR A 27 16.222 1.698 -32.391 1.00 40.21 H new ATOM 0 HG1 THR A 27 15.392 3.554 -33.558 1.00 43.53 H new ATOM 0 HG21 THR A 27 16.428 1.826 -34.845 1.00 45.40 H new ATOM 0 HG22 THR A 27 16.187 0.152 -34.292 1.00 45.40 H new ATOM 0 HG23 THR A 27 14.834 1.053 -35.015 1.00 45.40 H new ATOM 246 N LEU A 28 14.720 1.586 -30.120 1.00 13.33 N ATOM 247 CA LEU A 28 14.356 2.200 -28.847 1.00 52.34 C ATOM 248 C LEU A 28 13.926 3.650 -29.046 1.00 11.33 C ATOM 249 O LEU A 28 12.945 4.102 -28.457 1.00 12.44 O ATOM 250 CB LEU A 28 15.532 2.134 -27.872 1.00 1.13 C ATOM 251 CG LEU A 28 15.174 1.894 -26.405 1.00 4.05 C ATOM 252 CD1 LEU A 28 16.048 0.798 -25.815 1.00 31.33 C ATOM 253 CD2 LEU A 28 15.316 3.180 -25.604 1.00 2.23 C ATOM 0 H LEU A 28 15.714 1.379 -30.220 1.00 13.33 H new ATOM 0 HA LEU A 28 13.516 1.645 -28.431 1.00 52.34 H new ATOM 0 HB2 LEU A 28 16.203 1.339 -28.196 1.00 1.13 H new ATOM 0 HB3 LEU A 28 16.089 3.069 -27.941 1.00 1.13 H new ATOM 0 HG LEU A 28 14.135 1.570 -26.353 1.00 4.05 H new ATOM 0 HD11 LEU A 28 15.779 0.641 -24.770 1.00 31.33 H new ATOM 0 HD12 LEU A 28 15.897 -0.127 -26.372 1.00 31.33 H new ATOM 0 HD13 LEU A 28 17.095 1.093 -25.880 1.00 31.33 H new ATOM 0 HD21 LEU A 28 15.057 2.990 -24.562 1.00 2.23 H new ATOM 0 HD22 LEU A 28 16.345 3.534 -25.664 1.00 2.23 H new ATOM 0 HD23 LEU A 28 14.647 3.938 -26.012 1.00 2.23 H new ATOM 265 N GLU A 29 14.666 4.373 -29.881 1.00 22.22 N ATOM 266 CA GLU A 29 14.360 5.771 -30.157 1.00 52.34 C ATOM 267 C GLU A 29 13.003 5.906 -30.844 1.00 24.33 C ATOM 268 O GLU A 29 12.225 6.806 -30.530 1.00 71.41 O ATOM 269 CB GLU A 29 15.450 6.392 -31.033 1.00 64.10 C ATOM 270 CG GLU A 29 15.626 7.886 -30.819 1.00 22.21 C ATOM 271 CD GLU A 29 16.856 8.435 -31.517 1.00 34.53 C ATOM 272 OE1 GLU A 29 17.411 9.443 -31.033 1.00 1.03 O ATOM 273 OE2 GLU A 29 17.262 7.856 -32.546 1.00 51.30 O ATOM 0 H GLU A 29 15.481 4.013 -30.378 1.00 22.22 H new ATOM 0 HA GLU A 29 14.322 6.302 -29.206 1.00 52.34 H new ATOM 0 HB2 GLU A 29 16.396 5.891 -30.831 1.00 64.10 H new ATOM 0 HB3 GLU A 29 15.210 6.209 -32.081 1.00 64.10 H new ATOM 0 HG2 GLU A 29 14.742 8.408 -31.185 1.00 22.21 H new ATOM 0 HG3 GLU A 29 15.698 8.090 -29.751 1.00 22.21 H new ATOM 280 N GLN A 30 12.729 5.004 -31.781 1.00 45.54 N ATOM 281 CA GLN A 30 11.468 5.023 -32.513 1.00 3.21 C ATOM 282 C GLN A 30 10.295 4.737 -31.582 1.00 13.21 C ATOM 283 O GLN A 30 9.266 5.412 -31.637 1.00 74.15 O ATOM 284 CB GLN A 30 11.497 3.997 -33.647 1.00 31.11 C ATOM 285 CG GLN A 30 10.518 4.302 -34.769 1.00 15.43 C ATOM 286 CD GLN A 30 11.022 3.848 -36.124 1.00 23.31 C ATOM 287 OE1 GLN A 30 11.244 4.661 -37.021 1.00 42.14 O ATOM 288 NE2 GLN A 30 11.207 2.542 -36.280 1.00 33.03 N ATOM 0 H GLN A 30 13.363 4.252 -32.051 1.00 45.54 H new ATOM 0 HA GLN A 30 11.337 6.019 -32.937 1.00 3.21 H new ATOM 0 HB2 GLN A 30 12.505 3.951 -34.058 1.00 31.11 H new ATOM 0 HB3 GLN A 30 11.274 3.011 -33.239 1.00 31.11 H new ATOM 0 HG2 GLN A 30 9.566 3.814 -34.558 1.00 15.43 H new ATOM 0 HG3 GLN A 30 10.327 5.375 -34.798 1.00 15.43 H new ATOM 0 HE21 GLN A 30 11.010 1.903 -35.509 1.00 33.03 H new ATOM 0 HE22 GLN A 30 11.546 2.178 -37.170 1.00 33.03 H new ATOM 297 N LEU A 31 10.455 3.733 -30.727 1.00 43.10 N ATOM 298 CA LEU A 31 9.408 3.357 -29.783 1.00 45.11 C ATOM 299 C LEU A 31 9.074 4.517 -28.850 1.00 70.35 C ATOM 300 O LEU A 31 7.913 4.905 -28.715 1.00 60.14 O ATOM 301 CB LEU A 31 9.845 2.140 -28.966 1.00 33.22 C ATOM 302 CG LEU A 31 8.810 1.023 -28.821 1.00 64.11 C ATOM 303 CD1 LEU A 31 9.370 -0.117 -27.985 1.00 32.52 C ATOM 304 CD2 LEU A 31 7.528 1.560 -28.203 1.00 52.53 C ATOM 0 H LEU A 31 11.300 3.164 -30.668 1.00 43.10 H new ATOM 0 HA LEU A 31 8.513 3.103 -30.352 1.00 45.11 H new ATOM 0 HB2 LEU A 31 10.740 1.721 -29.425 1.00 33.22 H new ATOM 0 HB3 LEU A 31 10.127 2.479 -27.969 1.00 33.22 H new ATOM 0 HG LEU A 31 8.577 0.638 -29.814 1.00 64.11 H new ATOM 0 HD11 LEU A 31 8.620 -0.903 -27.892 1.00 32.52 H new ATOM 0 HD12 LEU A 31 10.260 -0.520 -28.469 1.00 32.52 H new ATOM 0 HD13 LEU A 31 9.632 0.253 -26.994 1.00 32.52 H new ATOM 0 HD21 LEU A 31 6.803 0.751 -28.108 1.00 52.53 H new ATOM 0 HD22 LEU A 31 7.744 1.972 -27.217 1.00 52.53 H new ATOM 0 HD23 LEU A 31 7.117 2.342 -28.841 1.00 52.53 H new ATOM 316 N THR A 32 10.100 5.069 -28.209 1.00 75.33 N ATOM 317 CA THR A 32 9.915 6.185 -27.290 1.00 62.33 C ATOM 318 C THR A 32 9.274 7.376 -27.993 1.00 63.24 C ATOM 319 O THR A 32 8.397 8.036 -27.439 1.00 13.33 O ATOM 320 CB THR A 32 11.253 6.629 -26.670 1.00 24.52 C ATOM 321 OG1 THR A 32 11.912 5.507 -26.072 1.00 30.54 O ATOM 322 CG2 THR A 32 11.032 7.710 -25.623 1.00 43.35 C ATOM 0 H THR A 32 11.067 4.761 -28.310 1.00 75.33 H new ATOM 0 HA THR A 32 9.253 5.835 -26.497 1.00 62.33 H new ATOM 0 HB THR A 32 11.878 7.037 -27.464 1.00 24.52 H new ATOM 0 HG1 THR A 32 12.319 4.955 -26.772 1.00 30.54 H new ATOM 0 HG21 THR A 32 11.991 8.008 -25.199 1.00 43.35 H new ATOM 0 HG22 THR A 32 10.557 8.574 -26.087 1.00 43.35 H new ATOM 0 HG23 THR A 32 10.390 7.324 -24.831 1.00 43.35 H new ATOM 330 N GLU A 33 9.718 7.644 -29.217 1.00 63.24 N ATOM 331 CA GLU A 33 9.187 8.757 -29.995 1.00 73.45 C ATOM 332 C GLU A 33 7.680 8.615 -30.188 1.00 74.44 C ATOM 333 O GLU A 33 6.910 9.508 -29.833 1.00 61.24 O ATOM 334 CB GLU A 33 9.881 8.834 -31.357 1.00 21.23 C ATOM 335 CG GLU A 33 9.491 10.056 -32.170 1.00 41.35 C ATOM 336 CD GLU A 33 10.193 10.111 -33.514 1.00 13.13 C ATOM 337 OE1 GLU A 33 10.117 9.115 -34.263 1.00 75.11 O ATOM 338 OE2 GLU A 33 10.818 11.149 -33.815 1.00 53.13 O ATOM 0 H GLU A 33 10.444 7.106 -29.691 1.00 63.24 H new ATOM 0 HA GLU A 33 9.381 9.677 -29.444 1.00 73.45 H new ATOM 0 HB2 GLU A 33 10.960 8.838 -31.206 1.00 21.23 H new ATOM 0 HB3 GLU A 33 9.643 7.937 -31.928 1.00 21.23 H new ATOM 0 HG2 GLU A 33 8.412 10.054 -32.327 1.00 41.35 H new ATOM 0 HG3 GLU A 33 9.729 10.956 -31.603 1.00 41.35 H new ATOM 345 N PHE A 34 7.265 7.486 -30.754 1.00 23.30 N ATOM 346 CA PHE A 34 5.851 7.226 -30.996 1.00 51.22 C ATOM 347 C PHE A 34 5.050 7.329 -29.702 1.00 15.52 C ATOM 348 O PHE A 34 3.954 7.892 -29.680 1.00 23.45 O ATOM 349 CB PHE A 34 5.664 5.840 -31.616 1.00 33.21 C ATOM 350 CG PHE A 34 5.824 5.824 -33.109 1.00 41.12 C ATOM 351 CD1 PHE A 34 6.973 6.322 -33.701 1.00 44.51 C ATOM 352 CD2 PHE A 34 4.825 5.311 -33.921 1.00 42.31 C ATOM 353 CE1 PHE A 34 7.124 6.309 -35.075 1.00 5.20 C ATOM 354 CE2 PHE A 34 4.971 5.295 -35.295 1.00 72.04 C ATOM 355 CZ PHE A 34 6.121 5.796 -35.873 1.00 62.41 C ATOM 0 H PHE A 34 7.889 6.736 -31.054 1.00 23.30 H new ATOM 0 HA PHE A 34 5.483 7.980 -31.692 1.00 51.22 H new ATOM 0 HB2 PHE A 34 6.386 5.153 -31.174 1.00 33.21 H new ATOM 0 HB3 PHE A 34 4.672 5.468 -31.361 1.00 33.21 H new ATOM 0 HD1 PHE A 34 7.760 6.725 -33.082 1.00 44.51 H new ATOM 0 HD2 PHE A 34 3.923 4.919 -33.475 1.00 42.31 H new ATOM 0 HE1 PHE A 34 8.025 6.700 -35.524 1.00 5.20 H new ATOM 0 HE2 PHE A 34 4.186 4.891 -35.917 1.00 72.04 H new ATOM 0 HZ PHE A 34 6.235 5.786 -36.947 1.00 62.41 H new ATOM 365 N PHE A 35 5.603 6.782 -28.625 1.00 4.32 N ATOM 366 CA PHE A 35 4.941 6.811 -27.326 1.00 73.32 C ATOM 367 C PHE A 35 4.627 8.244 -26.907 1.00 72.00 C ATOM 368 O PHE A 35 3.481 8.577 -26.604 1.00 22.43 O ATOM 369 CB PHE A 35 5.817 6.138 -26.268 1.00 3.23 C ATOM 370 CG PHE A 35 5.299 4.801 -25.821 1.00 52.12 C ATOM 371 CD1 PHE A 35 4.007 4.671 -25.337 1.00 22.31 C ATOM 372 CD2 PHE A 35 6.103 3.675 -25.885 1.00 62.24 C ATOM 373 CE1 PHE A 35 3.527 3.442 -24.926 1.00 32.44 C ATOM 374 CE2 PHE A 35 5.628 2.443 -25.476 1.00 1.21 C ATOM 375 CZ PHE A 35 4.339 2.327 -24.994 1.00 72.33 C ATOM 0 H PHE A 35 6.509 6.313 -28.626 1.00 4.32 H new ATOM 0 HA PHE A 35 4.003 6.263 -27.412 1.00 73.32 H new ATOM 0 HB2 PHE A 35 6.824 6.013 -26.667 1.00 3.23 H new ATOM 0 HB3 PHE A 35 5.897 6.795 -25.402 1.00 3.23 H new ATOM 0 HD1 PHE A 35 3.368 5.540 -25.280 1.00 22.31 H new ATOM 0 HD2 PHE A 35 7.113 3.761 -26.259 1.00 62.24 H new ATOM 0 HE1 PHE A 35 2.518 3.354 -24.552 1.00 32.44 H new ATOM 0 HE2 PHE A 35 6.264 1.572 -25.533 1.00 1.21 H new ATOM 0 HZ PHE A 35 3.967 1.366 -24.671 1.00 72.33 H new ATOM 385 N SER A 36 5.653 9.088 -26.892 1.00 44.12 N ATOM 386 CA SER A 36 5.489 10.485 -26.506 1.00 62.32 C ATOM 387 C SER A 36 4.483 11.185 -27.414 1.00 75.53 C ATOM 388 O SER A 36 3.734 12.058 -26.975 1.00 31.31 O ATOM 389 CB SER A 36 6.834 11.212 -26.560 1.00 51.34 C ATOM 390 OG SER A 36 7.206 11.691 -25.280 1.00 4.42 O ATOM 0 H SER A 36 6.607 8.829 -27.143 1.00 44.12 H new ATOM 0 HA SER A 36 5.110 10.512 -25.484 1.00 62.32 H new ATOM 0 HB2 SER A 36 7.602 10.536 -26.936 1.00 51.34 H new ATOM 0 HB3 SER A 36 6.773 12.045 -27.260 1.00 51.34 H new ATOM 0 HG SER A 36 8.070 12.150 -25.341 1.00 4.42 H new ATOM 396 N LYS A 37 4.470 10.795 -28.684 1.00 63.34 N ATOM 397 CA LYS A 37 3.556 11.382 -29.657 1.00 30.13 C ATOM 398 C LYS A 37 2.105 11.108 -29.274 1.00 1.24 C ATOM 399 O LYS A 37 1.227 11.944 -29.491 1.00 20.25 O ATOM 400 CB LYS A 37 3.839 10.826 -31.054 1.00 41.02 C ATOM 401 CG LYS A 37 3.583 11.825 -32.169 1.00 62.04 C ATOM 402 CD LYS A 37 3.081 11.139 -33.428 1.00 74.54 C ATOM 403 CE LYS A 37 4.204 10.413 -34.154 1.00 14.21 C ATOM 404 NZ LYS A 37 4.018 10.440 -35.631 1.00 73.21 N ATOM 0 H LYS A 37 5.083 10.074 -29.064 1.00 63.34 H new ATOM 0 HA LYS A 37 3.715 12.460 -29.663 1.00 30.13 H new ATOM 0 HB2 LYS A 37 4.878 10.499 -31.102 1.00 41.02 H new ATOM 0 HB3 LYS A 37 3.219 9.945 -31.218 1.00 41.02 H new ATOM 0 HG2 LYS A 37 2.850 12.561 -31.838 1.00 62.04 H new ATOM 0 HG3 LYS A 37 4.502 12.367 -32.391 1.00 62.04 H new ATOM 0 HD2 LYS A 37 2.296 10.429 -33.168 1.00 74.54 H new ATOM 0 HD3 LYS A 37 2.635 11.878 -34.093 1.00 74.54 H new ATOM 0 HE2 LYS A 37 5.158 10.874 -33.900 1.00 14.21 H new ATOM 0 HE3 LYS A 37 4.248 9.379 -33.812 1.00 14.21 H new ATOM 0 HZ1 LYS A 37 4.803 9.935 -36.089 1.00 73.21 H new ATOM 0 HZ2 LYS A 37 3.119 9.978 -35.876 1.00 73.21 H new ATOM 0 HZ3 LYS A 37 4.001 11.426 -35.961 1.00 73.21 H new ATOM 418 N HIS A 38 1.860 9.934 -28.701 1.00 63.55 N ATOM 419 CA HIS A 38 0.515 9.551 -28.286 1.00 44.00 C ATOM 420 C HIS A 38 0.554 8.760 -26.982 1.00 61.31 C ATOM 421 O HIS A 38 1.022 7.623 -26.948 1.00 63.41 O ATOM 422 CB HIS A 38 -0.163 8.724 -29.378 1.00 64.44 C ATOM 423 CG HIS A 38 -1.624 9.015 -29.530 1.00 60.41 C ATOM 424 ND1 HIS A 38 -2.144 9.724 -30.592 1.00 43.20 N ATOM 425 CD2 HIS A 38 -2.678 8.686 -28.747 1.00 71.12 C ATOM 426 CE1 HIS A 38 -3.454 9.821 -30.455 1.00 31.12 C ATOM 427 NE2 HIS A 38 -3.804 9.199 -29.343 1.00 62.35 N ATOM 0 H HIS A 38 2.575 9.231 -28.513 1.00 63.55 H new ATOM 0 HA HIS A 38 -0.061 10.462 -28.121 1.00 44.00 H new ATOM 0 HB2 HIS A 38 0.337 8.912 -30.328 1.00 64.44 H new ATOM 0 HB3 HIS A 38 -0.033 7.665 -29.154 1.00 64.44 H new ATOM 0 HD2 HIS A 38 -2.640 8.125 -27.825 1.00 71.12 H new ATOM 0 HE1 HIS A 38 -4.125 10.323 -31.136 1.00 31.12 H new ATOM 0 HE2 HIS A 38 -4.755 9.114 -28.985 1.00 62.35 H new ATOM 435 N GLY A 39 0.059 9.370 -25.910 1.00 11.43 N ATOM 436 CA GLY A 39 0.047 8.709 -24.618 1.00 64.53 C ATOM 437 C GLY A 39 1.244 9.080 -23.766 1.00 3.14 C ATOM 438 O GLY A 39 2.354 9.242 -24.275 1.00 54.22 O ATOM 0 H GLY A 39 -0.334 10.311 -25.913 1.00 11.43 H new ATOM 0 HA2 GLY A 39 -0.868 8.972 -24.087 1.00 64.53 H new ATOM 0 HA3 GLY A 39 0.031 7.629 -24.766 1.00 64.53 H new ATOM 442 N THR A 40 1.021 9.218 -22.462 1.00 72.43 N ATOM 443 CA THR A 40 2.089 9.575 -21.537 1.00 54.43 C ATOM 444 C THR A 40 2.422 8.415 -20.606 1.00 55.15 C ATOM 445 O THR A 40 1.608 8.024 -19.770 1.00 34.03 O ATOM 446 CB THR A 40 1.710 10.805 -20.691 1.00 10.42 C ATOM 447 OG1 THR A 40 0.747 11.603 -21.389 1.00 20.22 O ATOM 448 CG2 THR A 40 2.939 11.645 -20.376 1.00 71.03 C ATOM 0 H THR A 40 0.109 9.088 -22.023 1.00 72.43 H new ATOM 0 HA THR A 40 2.964 9.814 -22.141 1.00 54.43 H new ATOM 0 HB THR A 40 1.279 10.454 -19.753 1.00 10.42 H new ATOM 0 HG1 THR A 40 0.510 12.382 -20.843 1.00 20.22 H new ATOM 0 HG21 THR A 40 2.646 12.508 -19.778 1.00 71.03 H new ATOM 0 HG22 THR A 40 3.657 11.044 -19.819 1.00 71.03 H new ATOM 0 HG23 THR A 40 3.395 11.986 -21.306 1.00 71.03 H new ATOM 456 N VAL A 41 3.624 7.868 -20.757 1.00 34.13 N ATOM 457 CA VAL A 41 4.065 6.753 -19.928 1.00 21.33 C ATOM 458 C VAL A 41 5.218 7.166 -19.019 1.00 74.33 C ATOM 459 O VAL A 41 6.041 8.002 -19.388 1.00 5.21 O ATOM 460 CB VAL A 41 4.508 5.555 -20.788 1.00 62.43 C ATOM 461 CG1 VAL A 41 3.331 4.996 -21.573 1.00 50.44 C ATOM 462 CG2 VAL A 41 5.639 5.959 -21.722 1.00 53.33 C ATOM 0 H VAL A 41 4.309 8.179 -21.445 1.00 34.13 H new ATOM 0 HA VAL A 41 3.212 6.457 -19.317 1.00 21.33 H new ATOM 0 HB VAL A 41 4.877 4.772 -20.126 1.00 62.43 H new ATOM 0 HG11 VAL A 41 3.664 4.150 -22.175 1.00 50.44 H new ATOM 0 HG12 VAL A 41 2.556 4.667 -20.881 1.00 50.44 H new ATOM 0 HG13 VAL A 41 2.929 5.770 -22.226 1.00 50.44 H new ATOM 0 HG21 VAL A 41 5.940 5.100 -22.322 1.00 53.33 H new ATOM 0 HG22 VAL A 41 5.300 6.760 -22.379 1.00 53.33 H new ATOM 0 HG23 VAL A 41 6.489 6.307 -21.135 1.00 53.33 H new ATOM 472 N GLN A 42 5.269 6.573 -17.831 1.00 33.02 N ATOM 473 CA GLN A 42 6.321 6.880 -16.869 1.00 71.02 C ATOM 474 C GLN A 42 7.626 6.190 -17.251 1.00 70.44 C ATOM 475 O GLN A 42 8.669 6.832 -17.365 1.00 3.15 O ATOM 476 CB GLN A 42 5.897 6.452 -15.463 1.00 54.21 C ATOM 477 CG GLN A 42 6.757 7.048 -14.360 1.00 53.24 C ATOM 478 CD GLN A 42 6.182 6.808 -12.978 1.00 44.12 C ATOM 479 OE1 GLN A 42 5.484 5.821 -12.746 1.00 61.33 O ATOM 480 NE2 GLN A 42 6.474 7.712 -12.050 1.00 41.24 N ATOM 0 H GLN A 42 4.595 5.878 -17.511 1.00 33.02 H new ATOM 0 HA GLN A 42 6.484 7.958 -16.879 1.00 71.02 H new ATOM 0 HB2 GLN A 42 4.859 6.744 -15.301 1.00 54.21 H new ATOM 0 HB3 GLN A 42 5.937 5.365 -15.396 1.00 54.21 H new ATOM 0 HG2 GLN A 42 7.758 6.619 -14.413 1.00 53.24 H new ATOM 0 HG3 GLN A 42 6.861 8.120 -14.525 1.00 53.24 H new ATOM 0 HE21 GLN A 42 7.057 8.515 -12.286 1.00 41.24 H new ATOM 0 HE22 GLN A 42 6.116 7.603 -11.101 1.00 41.24 H new ATOM 489 N ALA A 43 7.560 4.877 -17.449 1.00 34.03 N ATOM 490 CA ALA A 43 8.736 4.100 -17.820 1.00 35.23 C ATOM 491 C ALA A 43 8.338 2.787 -18.486 1.00 41.12 C ATOM 492 O ALA A 43 7.179 2.376 -18.429 1.00 22.24 O ATOM 493 CB ALA A 43 9.599 3.832 -16.596 1.00 1.41 C ATOM 0 H ALA A 43 6.704 4.329 -17.359 1.00 34.03 H new ATOM 0 HA ALA A 43 9.314 4.682 -18.538 1.00 35.23 H new ATOM 0 HB1 ALA A 43 10.474 3.251 -16.888 1.00 1.41 H new ATOM 0 HB2 ALA A 43 9.921 4.779 -16.163 1.00 1.41 H new ATOM 0 HB3 ALA A 43 9.022 3.274 -15.859 1.00 1.41 H new ATOM 499 N VAL A 44 9.307 2.133 -19.120 1.00 12.24 N ATOM 500 CA VAL A 44 9.058 0.866 -19.797 1.00 51.40 C ATOM 501 C VAL A 44 10.286 -0.035 -19.745 1.00 30.43 C ATOM 502 O VAL A 44 11.420 0.438 -19.818 1.00 12.45 O ATOM 503 CB VAL A 44 8.658 1.086 -21.268 1.00 71.22 C ATOM 504 CG1 VAL A 44 9.744 1.850 -22.009 1.00 5.32 C ATOM 505 CG2 VAL A 44 8.374 -0.246 -21.947 1.00 3.30 C ATOM 0 H VAL A 44 10.271 2.460 -19.179 1.00 12.24 H new ATOM 0 HA VAL A 44 8.234 0.383 -19.272 1.00 51.40 H new ATOM 0 HB VAL A 44 7.746 1.683 -21.293 1.00 71.22 H new ATOM 0 HG11 VAL A 44 9.443 1.996 -23.046 1.00 5.32 H new ATOM 0 HG12 VAL A 44 9.894 2.820 -21.535 1.00 5.32 H new ATOM 0 HG13 VAL A 44 10.674 1.283 -21.977 1.00 5.32 H new ATOM 0 HG21 VAL A 44 8.093 -0.072 -22.986 1.00 3.30 H new ATOM 0 HG22 VAL A 44 9.267 -0.870 -21.912 1.00 3.30 H new ATOM 0 HG23 VAL A 44 7.558 -0.751 -21.430 1.00 3.30 H new ATOM 515 N TRP A 45 10.052 -1.337 -19.619 1.00 3.43 N ATOM 516 CA TRP A 45 11.141 -2.306 -19.557 1.00 55.12 C ATOM 517 C TRP A 45 10.638 -3.709 -19.879 1.00 24.13 C ATOM 518 O TRP A 45 9.435 -3.934 -20.005 1.00 15.33 O ATOM 519 CB TRP A 45 11.789 -2.288 -18.172 1.00 42.11 C ATOM 520 CG TRP A 45 13.165 -1.693 -18.168 1.00 52.32 C ATOM 521 CD1 TRP A 45 14.245 -2.121 -18.886 1.00 0.41 C ATOM 522 CD2 TRP A 45 13.607 -0.563 -17.409 1.00 3.44 C ATOM 523 NE1 TRP A 45 15.333 -1.325 -18.618 1.00 55.52 N ATOM 524 CE2 TRP A 45 14.967 -0.361 -17.716 1.00 2.13 C ATOM 525 CE3 TRP A 45 12.987 0.300 -16.501 1.00 30.33 C ATOM 526 CZ2 TRP A 45 15.714 0.666 -17.146 1.00 4.25 C ATOM 527 CZ3 TRP A 45 13.730 1.318 -15.935 1.00 40.54 C ATOM 528 CH2 TRP A 45 15.082 1.495 -16.260 1.00 13.52 C ATOM 0 H TRP A 45 9.119 -1.746 -19.558 1.00 3.43 H new ATOM 0 HA TRP A 45 11.886 -2.027 -20.302 1.00 55.12 H new ATOM 0 HB2 TRP A 45 11.155 -1.723 -17.489 1.00 42.11 H new ATOM 0 HB3 TRP A 45 11.841 -3.307 -17.789 1.00 42.11 H new ATOM 0 HD1 TRP A 45 14.244 -2.961 -19.565 1.00 0.41 H new ATOM 0 HE1 TRP A 45 16.262 -1.434 -19.025 1.00 55.52 H new ATOM 0 HE3 TRP A 45 11.945 0.173 -16.246 1.00 30.33 H new ATOM 0 HZ2 TRP A 45 16.756 0.804 -17.394 1.00 4.25 H new ATOM 0 HZ3 TRP A 45 13.261 1.989 -15.230 1.00 40.54 H new ATOM 0 HH2 TRP A 45 15.636 2.301 -15.802 1.00 13.52 H new ATOM 539 N ARG A 46 11.568 -4.650 -20.010 1.00 51.12 N ATOM 540 CA ARG A 46 11.218 -6.031 -20.318 1.00 64.41 C ATOM 541 C ARG A 46 12.334 -6.982 -19.893 1.00 71.05 C ATOM 542 O ARG A 46 13.516 -6.668 -20.030 1.00 3.40 O ATOM 543 CB ARG A 46 10.942 -6.189 -21.815 1.00 10.55 C ATOM 544 CG ARG A 46 12.094 -5.738 -22.697 1.00 43.23 C ATOM 545 CD ARG A 46 12.007 -4.252 -23.012 1.00 23.54 C ATOM 546 NE ARG A 46 11.692 -4.008 -24.416 1.00 52.24 N ATOM 547 CZ ARG A 46 12.595 -4.047 -25.390 1.00 14.10 C ATOM 548 NH1 ARG A 46 13.862 -4.320 -25.113 1.00 1.13 N ATOM 549 NH2 ARG A 46 12.230 -3.813 -26.644 1.00 61.12 N ATOM 0 H ARG A 46 12.569 -4.481 -19.908 1.00 51.12 H new ATOM 0 HA ARG A 46 10.316 -6.283 -19.761 1.00 64.41 H new ATOM 0 HB2 ARG A 46 10.721 -7.235 -22.027 1.00 10.55 H new ATOM 0 HB3 ARG A 46 10.051 -5.617 -22.074 1.00 10.55 H new ATOM 0 HG2 ARG A 46 13.040 -5.951 -22.199 1.00 43.23 H new ATOM 0 HG3 ARG A 46 12.088 -6.309 -23.626 1.00 43.23 H new ATOM 0 HD2 ARG A 46 11.244 -3.792 -22.384 1.00 23.54 H new ATOM 0 HD3 ARG A 46 12.954 -3.773 -22.764 1.00 23.54 H new ATOM 0 HE ARG A 46 10.725 -3.796 -24.663 1.00 52.24 H new ATOM 0 HH11 ARG A 46 14.146 -4.501 -24.150 1.00 1.13 H new ATOM 0 HH12 ARG A 46 14.553 -4.349 -25.863 1.00 1.13 H new ATOM 0 HH21 ARG A 46 11.256 -3.603 -26.861 1.00 61.12 H new ATOM 0 HH22 ARG A 46 12.924 -3.843 -27.391 1.00 61.12 H new ATOM 563 N ARG A 47 11.949 -8.145 -19.378 1.00 10.12 N ATOM 564 CA ARG A 47 12.916 -9.140 -18.932 1.00 22.35 C ATOM 565 C ARG A 47 12.439 -10.550 -19.266 1.00 33.41 C ATOM 566 O ARG A 47 11.248 -10.779 -19.482 1.00 43.35 O ATOM 567 CB ARG A 47 13.152 -9.014 -17.425 1.00 40.13 C ATOM 568 CG ARG A 47 11.969 -9.465 -16.584 1.00 5.13 C ATOM 569 CD ARG A 47 11.774 -8.568 -15.372 1.00 0.25 C ATOM 570 NE ARG A 47 10.507 -8.830 -14.695 1.00 34.30 N ATOM 571 CZ ARG A 47 10.194 -8.336 -13.502 1.00 63.41 C ATOM 572 NH1 ARG A 47 11.053 -7.558 -12.858 1.00 14.03 N ATOM 573 NH2 ARG A 47 9.021 -8.621 -12.952 1.00 11.45 N ATOM 0 H ARG A 47 10.974 -8.421 -19.259 1.00 10.12 H new ATOM 0 HA ARG A 47 13.854 -8.958 -19.457 1.00 22.35 H new ATOM 0 HB2 ARG A 47 14.027 -9.604 -17.152 1.00 40.13 H new ATOM 0 HB3 ARG A 47 13.381 -7.975 -17.187 1.00 40.13 H new ATOM 0 HG2 ARG A 47 11.065 -9.458 -17.193 1.00 5.13 H new ATOM 0 HG3 ARG A 47 12.125 -10.493 -16.256 1.00 5.13 H new ATOM 0 HD2 ARG A 47 12.597 -8.719 -14.673 1.00 0.25 H new ATOM 0 HD3 ARG A 47 11.809 -7.524 -15.684 1.00 0.25 H new ATOM 0 HE ARG A 47 9.824 -9.425 -15.164 1.00 34.30 H new ATOM 0 HH11 ARG A 47 11.956 -7.338 -13.278 1.00 14.03 H new ATOM 0 HH12 ARG A 47 10.811 -7.180 -11.942 1.00 14.03 H new ATOM 0 HH21 ARG A 47 8.359 -9.220 -13.445 1.00 11.45 H new ATOM 0 HH22 ARG A 47 8.781 -8.241 -12.036 1.00 11.45 H new ATOM 587 N TYR A 48 13.375 -11.492 -19.307 1.00 34.14 N ATOM 588 CA TYR A 48 13.050 -12.879 -19.617 1.00 62.25 C ATOM 589 C TYR A 48 13.952 -13.836 -18.843 1.00 74.24 C ATOM 590 O TYR A 48 15.178 -13.744 -18.910 1.00 75.15 O ATOM 591 CB TYR A 48 13.189 -13.133 -21.120 1.00 34.05 C ATOM 592 CG TYR A 48 14.563 -12.813 -21.664 1.00 14.04 C ATOM 593 CD1 TYR A 48 15.487 -13.822 -21.907 1.00 52.42 C ATOM 594 CD2 TYR A 48 14.937 -11.502 -21.933 1.00 71.51 C ATOM 595 CE1 TYR A 48 16.744 -13.534 -22.404 1.00 34.04 C ATOM 596 CE2 TYR A 48 16.191 -11.206 -22.431 1.00 11.21 C ATOM 597 CZ TYR A 48 17.091 -12.225 -22.664 1.00 53.23 C ATOM 598 OH TYR A 48 18.341 -11.933 -23.159 1.00 23.21 O ATOM 0 H TYR A 48 14.365 -11.320 -19.129 1.00 34.14 H new ATOM 0 HA TYR A 48 12.018 -13.060 -19.318 1.00 62.25 H new ATOM 0 HB2 TYR A 48 12.961 -14.179 -21.326 1.00 34.05 H new ATOM 0 HB3 TYR A 48 12.449 -12.534 -21.651 1.00 34.05 H new ATOM 0 HD1 TYR A 48 15.218 -14.848 -21.704 1.00 52.42 H new ATOM 0 HD2 TYR A 48 14.236 -10.701 -21.750 1.00 71.51 H new ATOM 0 HE1 TYR A 48 17.451 -14.330 -22.588 1.00 34.04 H new ATOM 0 HE2 TYR A 48 16.465 -10.182 -22.637 1.00 11.21 H new ATOM 0 HH TYR A 48 18.424 -10.965 -23.288 1.00 23.21 H new ATOM 608 N PHE A 49 13.335 -14.756 -18.109 1.00 13.22 N ATOM 609 CA PHE A 49 14.080 -15.731 -17.321 1.00 13.22 C ATOM 610 C PHE A 49 14.520 -16.907 -18.187 1.00 24.32 C ATOM 611 O PHE A 49 13.692 -17.633 -18.736 1.00 14.43 O ATOM 612 CB PHE A 49 13.227 -16.233 -16.154 1.00 23.23 C ATOM 613 CG PHE A 49 13.828 -15.949 -14.807 1.00 12.43 C ATOM 614 CD1 PHE A 49 14.057 -16.975 -13.905 1.00 20.12 C ATOM 615 CD2 PHE A 49 14.163 -14.654 -14.442 1.00 73.43 C ATOM 616 CE1 PHE A 49 14.610 -16.717 -12.665 1.00 11.24 C ATOM 617 CE2 PHE A 49 14.716 -14.390 -13.204 1.00 22.12 C ATOM 618 CZ PHE A 49 14.939 -15.422 -12.313 1.00 71.34 C ATOM 0 H PHE A 49 12.321 -14.847 -18.043 1.00 13.22 H new ATOM 0 HA PHE A 49 14.970 -15.240 -16.927 1.00 13.22 H new ATOM 0 HB2 PHE A 49 12.242 -15.770 -16.209 1.00 23.23 H new ATOM 0 HB3 PHE A 49 13.080 -17.308 -16.258 1.00 23.23 H new ATOM 0 HD1 PHE A 49 13.800 -17.989 -14.174 1.00 20.12 H new ATOM 0 HD2 PHE A 49 13.990 -13.843 -15.133 1.00 73.43 H new ATOM 0 HE1 PHE A 49 14.785 -17.527 -11.972 1.00 11.24 H new ATOM 0 HE2 PHE A 49 14.974 -13.377 -12.933 1.00 22.12 H new ATOM 0 HZ PHE A 49 15.369 -15.217 -11.344 1.00 71.34 H new ATOM 628 N ALA A 50 15.832 -17.089 -18.304 1.00 73.23 N ATOM 629 CA ALA A 50 16.384 -18.177 -19.102 1.00 35.53 C ATOM 630 C ALA A 50 16.304 -19.503 -18.352 1.00 13.24 C ATOM 631 O ALA A 50 16.172 -20.564 -18.959 1.00 60.23 O ATOM 632 CB ALA A 50 17.824 -17.872 -19.486 1.00 74.33 C ATOM 0 H ALA A 50 16.532 -16.497 -17.856 1.00 73.23 H new ATOM 0 HA ALA A 50 15.789 -18.267 -20.011 1.00 35.53 H new ATOM 0 HB1 ALA A 50 18.223 -18.693 -20.082 1.00 74.33 H new ATOM 0 HB2 ALA A 50 17.858 -16.951 -20.068 1.00 74.33 H new ATOM 0 HB3 ALA A 50 18.424 -17.753 -18.584 1.00 74.33 H new ATOM 638 N GLY A 51 16.385 -19.433 -17.026 1.00 62.42 N ATOM 639 CA GLY A 51 16.321 -20.635 -16.215 1.00 62.22 C ATOM 640 C GLY A 51 17.652 -21.357 -16.143 1.00 21.24 C ATOM 641 O GLY A 51 18.144 -21.872 -17.147 1.00 74.11 O ATOM 0 H GLY A 51 16.494 -18.566 -16.500 1.00 62.42 H new ATOM 0 HA2 GLY A 51 15.998 -20.373 -15.207 1.00 62.22 H new ATOM 0 HA3 GLY A 51 15.568 -21.307 -16.626 1.00 62.22 H new ATOM 645 N LYS A 52 18.239 -21.394 -14.951 1.00 71.51 N ATOM 646 CA LYS A 52 19.521 -22.058 -14.750 1.00 25.02 C ATOM 647 C LYS A 52 19.515 -22.875 -13.462 1.00 21.22 C ATOM 648 O LYS A 52 20.391 -22.719 -12.611 1.00 21.32 O ATOM 649 CB LYS A 52 20.651 -21.027 -14.706 1.00 43.33 C ATOM 650 CG LYS A 52 21.970 -21.546 -15.252 1.00 41.22 C ATOM 651 CD LYS A 52 22.021 -21.453 -16.768 1.00 64.10 C ATOM 652 CE LYS A 52 23.437 -21.646 -17.291 1.00 13.53 C ATOM 653 NZ LYS A 52 23.459 -22.433 -18.555 1.00 0.44 N ATOM 0 H LYS A 52 17.847 -20.972 -14.110 1.00 71.51 H new ATOM 0 HA LYS A 52 19.686 -22.735 -15.588 1.00 25.02 H new ATOM 0 HB2 LYS A 52 20.352 -20.148 -15.277 1.00 43.33 H new ATOM 0 HB3 LYS A 52 20.796 -20.703 -13.675 1.00 43.33 H new ATOM 0 HG2 LYS A 52 22.793 -20.974 -14.824 1.00 41.22 H new ATOM 0 HG3 LYS A 52 22.109 -22.583 -14.945 1.00 41.22 H new ATOM 0 HD2 LYS A 52 21.366 -22.208 -17.202 1.00 64.10 H new ATOM 0 HD3 LYS A 52 21.643 -20.482 -17.087 1.00 64.10 H new ATOM 0 HE2 LYS A 52 23.897 -20.673 -17.461 1.00 13.53 H new ATOM 0 HE3 LYS A 52 24.037 -22.154 -16.536 1.00 13.53 H new ATOM 0 HZ1 LYS A 52 24.441 -22.542 -18.879 1.00 0.44 H new ATOM 0 HZ2 LYS A 52 23.043 -23.371 -18.387 1.00 0.44 H new ATOM 0 HZ3 LYS A 52 22.908 -21.936 -19.283 1.00 0.44 H new ATOM 667 N LYS A 53 18.523 -23.748 -13.325 1.00 74.13 N ATOM 668 CA LYS A 53 18.403 -24.593 -12.143 1.00 1.43 C ATOM 669 C LYS A 53 17.699 -25.903 -12.479 1.00 34.10 C ATOM 670 O LYS A 53 17.243 -26.103 -13.605 1.00 50.42 O ATOM 671 CB LYS A 53 17.637 -23.857 -11.041 1.00 33.30 C ATOM 672 CG LYS A 53 16.204 -23.522 -11.417 1.00 34.34 C ATOM 673 CD LYS A 53 16.087 -22.111 -11.967 1.00 13.23 C ATOM 674 CE LYS A 53 14.813 -21.933 -12.778 1.00 52.45 C ATOM 675 NZ LYS A 53 13.609 -21.839 -11.907 1.00 54.34 N ATOM 0 H LYS A 53 17.789 -23.889 -14.019 1.00 74.13 H new ATOM 0 HA LYS A 53 19.408 -24.823 -11.788 1.00 1.43 H new ATOM 0 HB2 LYS A 53 17.634 -24.471 -10.140 1.00 33.30 H new ATOM 0 HB3 LYS A 53 18.165 -22.935 -10.797 1.00 33.30 H new ATOM 0 HG2 LYS A 53 15.846 -24.234 -12.161 1.00 34.34 H new ATOM 0 HG3 LYS A 53 15.563 -23.626 -10.541 1.00 34.34 H new ATOM 0 HD2 LYS A 53 16.098 -21.396 -11.144 1.00 13.23 H new ATOM 0 HD3 LYS A 53 16.952 -21.890 -12.593 1.00 13.23 H new ATOM 0 HE2 LYS A 53 14.893 -21.032 -13.386 1.00 52.45 H new ATOM 0 HE3 LYS A 53 14.700 -22.772 -13.465 1.00 52.45 H new ATOM 0 HZ1 LYS A 53 12.762 -21.718 -12.498 1.00 54.34 H new ATOM 0 HZ2 LYS A 53 13.518 -22.709 -11.345 1.00 54.34 H new ATOM 0 HZ3 LYS A 53 13.705 -21.023 -11.269 1.00 54.34 H new ATOM 689 N ASP A 54 17.612 -26.792 -11.496 1.00 14.15 N ATOM 690 CA ASP A 54 16.960 -28.082 -11.687 1.00 30.43 C ATOM 691 C ASP A 54 15.523 -28.046 -11.176 1.00 72.33 C ATOM 692 O ASP A 54 14.971 -29.070 -10.774 1.00 53.13 O ATOM 693 CB ASP A 54 17.742 -29.184 -10.969 1.00 13.20 C ATOM 694 CG ASP A 54 19.087 -29.453 -11.614 1.00 20.12 C ATOM 695 OD1 ASP A 54 19.911 -28.517 -11.681 1.00 23.01 O ATOM 696 OD2 ASP A 54 19.316 -30.600 -12.051 1.00 21.24 O ATOM 0 H ASP A 54 17.985 -26.643 -10.558 1.00 14.15 H new ATOM 0 HA ASP A 54 16.941 -28.297 -12.755 1.00 30.43 H new ATOM 0 HB2 ASP A 54 17.892 -28.899 -9.928 1.00 13.20 H new ATOM 0 HB3 ASP A 54 17.153 -30.101 -10.967 1.00 13.20 H new ATOM 701 N ALA A 55 14.923 -26.860 -11.195 1.00 23.32 N ATOM 702 CA ALA A 55 13.551 -26.691 -10.735 1.00 35.10 C ATOM 703 C ALA A 55 12.619 -26.365 -11.897 1.00 54.40 C ATOM 704 O ALA A 55 13.048 -25.925 -12.964 1.00 70.51 O ATOM 705 CB ALA A 55 13.479 -25.601 -9.676 1.00 42.43 C ATOM 0 H ALA A 55 15.366 -26.002 -11.524 1.00 23.32 H new ATOM 0 HA ALA A 55 13.224 -27.632 -10.294 1.00 35.10 H new ATOM 0 HB1 ALA A 55 12.448 -25.486 -9.342 1.00 42.43 H new ATOM 0 HB2 ALA A 55 14.107 -25.875 -8.828 1.00 42.43 H new ATOM 0 HB3 ALA A 55 13.831 -24.660 -10.098 1.00 42.43 H new ATOM 711 N PRO A 56 11.312 -26.584 -11.688 1.00 50.13 N ATOM 712 CA PRO A 56 10.292 -26.320 -12.708 1.00 2.32 C ATOM 713 C PRO A 56 10.101 -24.829 -12.964 1.00 3.30 C ATOM 714 O PRO A 56 10.582 -23.979 -12.214 1.00 12.11 O ATOM 715 CB PRO A 56 9.022 -26.926 -12.105 1.00 5.43 C ATOM 716 CG PRO A 56 9.252 -26.899 -10.633 1.00 23.40 C ATOM 717 CD PRO A 56 10.729 -27.106 -10.441 1.00 23.02 C ATOM 0 HA PRO A 56 10.564 -26.742 -13.675 1.00 2.32 H new ATOM 0 HB2 PRO A 56 8.139 -26.348 -12.378 1.00 5.43 H new ATOM 0 HB3 PRO A 56 8.860 -27.943 -12.462 1.00 5.43 H new ATOM 0 HG2 PRO A 56 8.932 -25.949 -10.205 1.00 23.40 H new ATOM 0 HG3 PRO A 56 8.680 -27.681 -10.134 1.00 23.40 H new ATOM 0 HD2 PRO A 56 11.100 -26.568 -9.568 1.00 23.02 H new ATOM 0 HD3 PRO A 56 10.971 -28.158 -10.294 1.00 23.02 H new ATOM 725 N PRO A 57 9.383 -24.501 -14.048 1.00 73.02 N ATOM 726 CA PRO A 57 9.111 -23.111 -14.427 1.00 61.34 C ATOM 727 C PRO A 57 8.151 -22.424 -13.463 1.00 32.34 C ATOM 728 O PRO A 57 6.934 -22.554 -13.587 1.00 74.22 O ATOM 729 CB PRO A 57 8.475 -23.240 -15.814 1.00 2.11 C ATOM 730 CG PRO A 57 7.878 -24.605 -15.832 1.00 3.32 C ATOM 731 CD PRO A 57 8.780 -25.462 -14.987 1.00 13.01 C ATOM 0 HA PRO A 57 10.014 -22.500 -14.411 1.00 61.34 H new ATOM 0 HB2 PRO A 57 7.716 -22.474 -15.974 1.00 2.11 H new ATOM 0 HB3 PRO A 57 9.218 -23.123 -16.603 1.00 2.11 H new ATOM 0 HG2 PRO A 57 6.864 -24.593 -15.432 1.00 3.32 H new ATOM 0 HG3 PRO A 57 7.815 -24.990 -16.850 1.00 3.32 H new ATOM 0 HD2 PRO A 57 8.222 -26.239 -14.464 1.00 13.01 H new ATOM 0 HD3 PRO A 57 9.537 -25.964 -15.589 1.00 13.01 H new ATOM 739 N GLU A 58 8.707 -21.693 -12.502 1.00 31.14 N ATOM 740 CA GLU A 58 7.898 -20.986 -11.516 1.00 30.13 C ATOM 741 C GLU A 58 7.676 -19.535 -11.933 1.00 65.12 C ATOM 742 O GLU A 58 6.606 -18.970 -11.710 1.00 74.55 O ATOM 743 CB GLU A 58 8.570 -21.036 -10.142 1.00 34.12 C ATOM 744 CG GLU A 58 7.588 -21.008 -8.983 1.00 15.43 C ATOM 745 CD GLU A 58 6.690 -22.230 -8.948 1.00 44.42 C ATOM 746 OE1 GLU A 58 7.226 -23.357 -8.913 1.00 61.31 O ATOM 747 OE2 GLU A 58 5.454 -22.059 -8.956 1.00 55.25 O ATOM 0 H GLU A 58 9.713 -21.575 -12.385 1.00 31.14 H new ATOM 0 HA GLU A 58 6.929 -21.481 -11.457 1.00 30.13 H new ATOM 0 HB2 GLU A 58 9.173 -21.942 -10.075 1.00 34.12 H new ATOM 0 HB3 GLU A 58 9.252 -20.191 -10.050 1.00 34.12 H new ATOM 0 HG2 GLU A 58 8.140 -20.941 -8.046 1.00 15.43 H new ATOM 0 HG3 GLU A 58 6.972 -20.111 -9.055 1.00 15.43 H new ATOM 754 N SER A 59 8.697 -18.938 -12.539 1.00 43.54 N ATOM 755 CA SER A 59 8.617 -17.551 -12.984 1.00 72.24 C ATOM 756 C SER A 59 7.951 -17.458 -14.354 1.00 63.12 C ATOM 757 O SER A 59 7.772 -18.465 -15.039 1.00 33.42 O ATOM 758 CB SER A 59 10.014 -16.929 -13.040 1.00 75.41 C ATOM 759 OG SER A 59 10.852 -17.467 -12.032 1.00 72.32 O ATOM 0 H SER A 59 9.589 -19.393 -12.733 1.00 43.54 H new ATOM 0 HA SER A 59 8.010 -16.999 -12.266 1.00 72.24 H new ATOM 0 HB2 SER A 59 10.457 -17.109 -14.020 1.00 75.41 H new ATOM 0 HB3 SER A 59 9.940 -15.848 -12.917 1.00 75.41 H new ATOM 0 HG SER A 59 11.739 -17.055 -12.090 1.00 72.32 H new ATOM 765 N ARG A 60 7.588 -16.242 -14.747 1.00 13.31 N ATOM 766 CA ARG A 60 6.941 -16.016 -16.034 1.00 11.22 C ATOM 767 C ARG A 60 7.893 -15.328 -17.007 1.00 40.45 C ATOM 768 O ARG A 60 8.235 -14.157 -16.836 1.00 42.02 O ATOM 769 CB ARG A 60 5.679 -15.169 -15.853 1.00 65.30 C ATOM 770 CG ARG A 60 4.723 -15.717 -14.807 1.00 31.53 C ATOM 771 CD ARG A 60 4.140 -17.056 -15.232 1.00 32.01 C ATOM 772 NE ARG A 60 3.585 -17.795 -14.101 1.00 74.13 N ATOM 773 CZ ARG A 60 3.321 -19.097 -14.132 1.00 55.44 C ATOM 774 NH1 ARG A 60 3.560 -19.799 -15.231 1.00 42.12 N ATOM 775 NH2 ARG A 60 2.816 -19.698 -13.063 1.00 20.22 N ATOM 0 H ARG A 60 7.731 -15.398 -14.193 1.00 13.31 H new ATOM 0 HA ARG A 60 6.663 -16.985 -16.448 1.00 11.22 H new ATOM 0 HB2 ARG A 60 5.969 -14.156 -15.573 1.00 65.30 H new ATOM 0 HB3 ARG A 60 5.158 -15.099 -16.808 1.00 65.30 H new ATOM 0 HG2 ARG A 60 5.247 -15.832 -13.858 1.00 31.53 H new ATOM 0 HG3 ARG A 60 3.916 -15.004 -14.641 1.00 31.53 H new ATOM 0 HD2 ARG A 60 3.360 -16.892 -15.976 1.00 32.01 H new ATOM 0 HD3 ARG A 60 4.916 -17.654 -15.710 1.00 32.01 H new ATOM 0 HE ARG A 60 3.389 -17.284 -13.240 1.00 74.13 H new ATOM 0 HH11 ARG A 60 3.947 -19.340 -16.055 1.00 42.12 H new ATOM 0 HH12 ARG A 60 3.356 -20.798 -15.252 1.00 42.12 H new ATOM 0 HH21 ARG A 60 2.630 -19.161 -12.216 1.00 20.22 H new ATOM 0 HH22 ARG A 60 2.614 -20.697 -13.088 1.00 20.22 H new ATOM 789 N THR A 61 8.319 -16.063 -18.030 1.00 53.53 N ATOM 790 CA THR A 61 9.232 -15.524 -19.030 1.00 63.42 C ATOM 791 C THR A 61 8.557 -15.422 -20.393 1.00 63.22 C ATOM 792 O THR A 61 8.344 -16.429 -21.069 1.00 44.25 O ATOM 793 CB THR A 61 10.498 -16.393 -19.160 1.00 74.14 C ATOM 794 OG1 THR A 61 11.260 -15.980 -20.300 1.00 60.51 O ATOM 795 CG2 THR A 61 10.133 -17.864 -19.293 1.00 71.05 C ATOM 0 H THR A 61 8.046 -17.033 -18.187 1.00 53.53 H new ATOM 0 HA THR A 61 9.517 -14.527 -18.694 1.00 63.42 H new ATOM 0 HB THR A 61 11.096 -16.264 -18.258 1.00 74.14 H new ATOM 0 HG1 THR A 61 12.064 -16.536 -20.375 1.00 60.51 H new ATOM 0 HG21 THR A 61 11.043 -18.458 -19.383 1.00 71.05 H new ATOM 0 HG22 THR A 61 9.578 -18.182 -18.411 1.00 71.05 H new ATOM 0 HG23 THR A 61 9.517 -18.007 -20.180 1.00 71.05 H new ATOM 803 N LYS A 62 8.223 -14.200 -20.792 1.00 51.24 N ATOM 804 CA LYS A 62 7.573 -13.965 -22.077 1.00 5.35 C ATOM 805 C LYS A 62 8.163 -12.739 -22.768 1.00 34.31 C ATOM 806 O LYS A 62 8.745 -11.859 -22.134 1.00 14.11 O ATOM 807 CB LYS A 62 6.067 -13.779 -21.883 1.00 32.11 C ATOM 808 CG LYS A 62 5.709 -12.923 -20.680 1.00 60.23 C ATOM 809 CD LYS A 62 5.366 -13.777 -19.471 1.00 11.52 C ATOM 810 CE LYS A 62 3.890 -14.143 -19.448 1.00 12.22 C ATOM 811 NZ LYS A 62 3.665 -15.563 -19.836 1.00 55.44 N ATOM 0 H LYS A 62 8.391 -13.356 -20.244 1.00 51.24 H new ATOM 0 HA LYS A 62 7.747 -14.836 -22.709 1.00 5.35 H new ATOM 0 HB2 LYS A 62 5.647 -13.324 -22.780 1.00 32.11 H new ATOM 0 HB3 LYS A 62 5.600 -14.758 -21.774 1.00 32.11 H new ATOM 0 HG2 LYS A 62 6.545 -12.266 -20.438 1.00 60.23 H new ATOM 0 HG3 LYS A 62 4.862 -12.283 -20.927 1.00 60.23 H new ATOM 0 HD2 LYS A 62 5.967 -14.686 -19.484 1.00 11.52 H new ATOM 0 HD3 LYS A 62 5.623 -13.238 -18.559 1.00 11.52 H new ATOM 0 HE2 LYS A 62 3.489 -13.971 -18.449 1.00 12.22 H new ATOM 0 HE3 LYS A 62 3.343 -13.490 -20.128 1.00 12.22 H new ATOM 0 HZ1 LYS A 62 2.672 -15.817 -19.663 1.00 55.44 H new ATOM 0 HZ2 LYS A 62 3.883 -15.686 -20.846 1.00 55.44 H new ATOM 0 HZ3 LYS A 62 4.284 -16.179 -19.271 1.00 55.44 H new ATOM 825 N PRO A 63 8.008 -12.678 -24.099 1.00 23.31 N ATOM 826 CA PRO A 63 8.517 -11.564 -24.905 1.00 35.05 C ATOM 827 C PRO A 63 7.746 -10.272 -24.658 1.00 1.54 C ATOM 828 O PRO A 63 8.213 -9.185 -24.997 1.00 44.45 O ATOM 829 CB PRO A 63 8.310 -12.043 -26.343 1.00 74.44 C ATOM 830 CG PRO A 63 7.190 -13.022 -26.259 1.00 72.43 C ATOM 831 CD PRO A 63 7.325 -13.692 -24.920 1.00 22.22 C ATOM 0 HA PRO A 63 9.554 -11.327 -24.665 1.00 35.05 H new ATOM 0 HB2 PRO A 63 8.062 -11.213 -27.005 1.00 74.44 H new ATOM 0 HB3 PRO A 63 9.213 -12.508 -26.739 1.00 74.44 H new ATOM 0 HG2 PRO A 63 6.226 -12.521 -26.349 1.00 72.43 H new ATOM 0 HG3 PRO A 63 7.247 -13.751 -27.068 1.00 72.43 H new ATOM 0 HD2 PRO A 63 6.353 -13.958 -24.504 1.00 22.22 H new ATOM 0 HD3 PRO A 63 7.906 -14.612 -24.988 1.00 22.22 H new ATOM 839 N SER A 64 6.564 -10.397 -24.064 1.00 34.03 N ATOM 840 CA SER A 64 5.727 -9.238 -23.774 1.00 73.43 C ATOM 841 C SER A 64 6.514 -8.176 -23.013 1.00 62.05 C ATOM 842 O SER A 64 7.431 -8.491 -22.255 1.00 2.21 O ATOM 843 CB SER A 64 4.500 -9.659 -22.963 1.00 11.12 C ATOM 844 OG SER A 64 4.016 -10.921 -23.388 1.00 35.15 O ATOM 0 H SER A 64 6.164 -11.289 -23.774 1.00 34.03 H new ATOM 0 HA SER A 64 5.399 -8.812 -24.722 1.00 73.43 H new ATOM 0 HB2 SER A 64 4.757 -9.702 -21.905 1.00 11.12 H new ATOM 0 HB3 SER A 64 3.715 -8.910 -23.070 1.00 11.12 H new ATOM 0 HG SER A 64 3.152 -11.100 -22.962 1.00 35.15 H new ATOM 850 N VAL A 65 6.149 -6.915 -23.222 1.00 61.04 N ATOM 851 CA VAL A 65 6.819 -5.805 -22.556 1.00 44.33 C ATOM 852 C VAL A 65 5.949 -5.223 -21.448 1.00 44.40 C ATOM 853 O VAL A 65 4.721 -5.255 -21.527 1.00 1.43 O ATOM 854 CB VAL A 65 7.178 -4.687 -23.553 1.00 4.50 C ATOM 855 CG1 VAL A 65 8.219 -5.173 -24.550 1.00 72.51 C ATOM 856 CG2 VAL A 65 5.931 -4.192 -24.270 1.00 2.00 C ATOM 0 H VAL A 65 5.393 -6.637 -23.847 1.00 61.04 H new ATOM 0 HA VAL A 65 7.736 -6.203 -22.122 1.00 44.33 H new ATOM 0 HB VAL A 65 7.605 -3.852 -22.997 1.00 4.50 H new ATOM 0 HG11 VAL A 65 8.460 -4.369 -25.246 1.00 72.51 H new ATOM 0 HG12 VAL A 65 9.121 -5.473 -24.017 1.00 72.51 H new ATOM 0 HG13 VAL A 65 7.823 -6.025 -25.103 1.00 72.51 H new ATOM 0 HG21 VAL A 65 6.203 -3.402 -24.970 1.00 2.00 H new ATOM 0 HG22 VAL A 65 5.472 -5.018 -24.814 1.00 2.00 H new ATOM 0 HG23 VAL A 65 5.223 -3.801 -23.540 1.00 2.00 H new ATOM 866 N PHE A 66 6.594 -4.690 -20.415 1.00 62.12 N ATOM 867 CA PHE A 66 5.879 -4.100 -19.289 1.00 63.43 C ATOM 868 C PHE A 66 6.036 -2.583 -19.281 1.00 13.54 C ATOM 869 O PHE A 66 7.149 -2.061 -19.342 1.00 63.45 O ATOM 870 CB PHE A 66 6.391 -4.685 -17.971 1.00 14.42 C ATOM 871 CG PHE A 66 6.517 -6.181 -17.987 1.00 72.22 C ATOM 872 CD1 PHE A 66 7.763 -6.784 -18.055 1.00 15.14 C ATOM 873 CD2 PHE A 66 5.390 -6.985 -17.936 1.00 35.31 C ATOM 874 CE1 PHE A 66 7.882 -8.161 -18.069 1.00 43.25 C ATOM 875 CE2 PHE A 66 5.503 -8.363 -17.950 1.00 41.41 C ATOM 876 CZ PHE A 66 6.751 -8.951 -18.018 1.00 71.12 C ATOM 0 H PHE A 66 7.610 -4.655 -20.335 1.00 62.12 H new ATOM 0 HA PHE A 66 4.821 -4.337 -19.397 1.00 63.43 H new ATOM 0 HB2 PHE A 66 7.364 -4.249 -17.743 1.00 14.42 H new ATOM 0 HB3 PHE A 66 5.715 -4.394 -17.167 1.00 14.42 H new ATOM 0 HD1 PHE A 66 8.651 -6.171 -18.098 1.00 15.14 H new ATOM 0 HD2 PHE A 66 4.412 -6.530 -17.885 1.00 35.31 H new ATOM 0 HE1 PHE A 66 8.859 -8.619 -18.120 1.00 43.25 H new ATOM 0 HE2 PHE A 66 4.617 -8.979 -17.908 1.00 41.41 H new ATOM 0 HZ PHE A 66 6.842 -10.027 -18.031 1.00 71.12 H new ATOM 886 N VAL A 67 4.911 -1.878 -19.204 1.00 31.11 N ATOM 887 CA VAL A 67 4.922 -0.420 -19.187 1.00 34.34 C ATOM 888 C VAL A 67 4.150 0.121 -17.988 1.00 25.32 C ATOM 889 O VAL A 67 3.124 -0.434 -17.595 1.00 11.43 O ATOM 890 CB VAL A 67 4.315 0.161 -20.478 1.00 23.22 C ATOM 891 CG1 VAL A 67 5.136 -0.257 -21.688 1.00 41.13 C ATOM 892 CG2 VAL A 67 2.866 -0.277 -20.629 1.00 42.52 C ATOM 0 H VAL A 67 3.981 -2.293 -19.152 1.00 31.11 H new ATOM 0 HA VAL A 67 5.965 -0.112 -19.114 1.00 34.34 H new ATOM 0 HB VAL A 67 4.337 1.249 -20.412 1.00 23.22 H new ATOM 0 HG11 VAL A 67 4.693 0.162 -22.591 1.00 41.13 H new ATOM 0 HG12 VAL A 67 6.156 0.111 -21.580 1.00 41.13 H new ATOM 0 HG13 VAL A 67 5.148 -1.344 -21.761 1.00 41.13 H new ATOM 0 HG21 VAL A 67 2.453 0.142 -21.546 1.00 42.52 H new ATOM 0 HG22 VAL A 67 2.818 -1.365 -20.674 1.00 42.52 H new ATOM 0 HG23 VAL A 67 2.288 0.077 -19.775 1.00 42.52 H new ATOM 902 N VAL A 68 4.652 1.208 -17.410 1.00 71.12 N ATOM 903 CA VAL A 68 4.010 1.826 -16.256 1.00 75.14 C ATOM 904 C VAL A 68 3.650 3.280 -16.541 1.00 25.02 C ATOM 905 O VAL A 68 4.528 4.118 -16.749 1.00 50.11 O ATOM 906 CB VAL A 68 4.914 1.766 -15.011 1.00 43.14 C ATOM 907 CG1 VAL A 68 4.194 2.338 -13.800 1.00 3.41 C ATOM 908 CG2 VAL A 68 5.364 0.337 -14.748 1.00 63.15 C ATOM 0 H VAL A 68 5.501 1.679 -17.722 1.00 71.12 H new ATOM 0 HA VAL A 68 3.099 1.261 -16.060 1.00 75.14 H new ATOM 0 HB VAL A 68 5.800 2.373 -15.197 1.00 43.14 H new ATOM 0 HG11 VAL A 68 4.849 2.287 -12.930 1.00 3.41 H new ATOM 0 HG12 VAL A 68 3.927 3.377 -13.993 1.00 3.41 H new ATOM 0 HG13 VAL A 68 3.290 1.760 -13.608 1.00 3.41 H new ATOM 0 HG21 VAL A 68 6.002 0.313 -13.865 1.00 63.15 H new ATOM 0 HG22 VAL A 68 4.491 -0.295 -14.582 1.00 63.15 H new ATOM 0 HG23 VAL A 68 5.922 -0.033 -15.608 1.00 63.15 H new ATOM 918 N PHE A 69 2.354 3.573 -16.548 1.00 3.13 N ATOM 919 CA PHE A 69 1.878 4.927 -16.807 1.00 60.20 C ATOM 920 C PHE A 69 1.912 5.768 -15.535 1.00 2.53 C ATOM 921 O PHE A 69 1.638 5.273 -14.443 1.00 13.13 O ATOM 922 CB PHE A 69 0.456 4.891 -17.370 1.00 72.31 C ATOM 923 CG PHE A 69 0.339 4.121 -18.655 1.00 31.15 C ATOM 924 CD1 PHE A 69 0.259 2.738 -18.644 1.00 33.21 C ATOM 925 CD2 PHE A 69 0.310 4.781 -19.873 1.00 32.43 C ATOM 926 CE1 PHE A 69 0.151 2.026 -19.824 1.00 53.41 C ATOM 927 CE2 PHE A 69 0.202 4.075 -21.056 1.00 35.31 C ATOM 928 CZ PHE A 69 0.123 2.696 -21.032 1.00 21.23 C ATOM 0 H PHE A 69 1.615 2.891 -16.377 1.00 3.13 H new ATOM 0 HA PHE A 69 2.541 5.384 -17.542 1.00 60.20 H new ATOM 0 HB2 PHE A 69 -0.209 4.448 -16.628 1.00 72.31 H new ATOM 0 HB3 PHE A 69 0.113 5.912 -17.535 1.00 72.31 H new ATOM 0 HD1 PHE A 69 0.281 2.210 -17.702 1.00 33.21 H new ATOM 0 HD2 PHE A 69 0.372 5.859 -19.898 1.00 32.43 H new ATOM 0 HE1 PHE A 69 0.089 0.948 -19.802 1.00 53.41 H new ATOM 0 HE2 PHE A 69 0.179 4.601 -21.999 1.00 35.31 H new ATOM 0 HZ PHE A 69 0.040 2.143 -21.956 1.00 21.23 H new ATOM 938 N ASN A 70 2.252 7.045 -15.686 1.00 20.55 N ATOM 939 CA ASN A 70 2.324 7.956 -14.549 1.00 74.21 C ATOM 940 C ASN A 70 0.950 8.537 -14.231 1.00 15.24 C ATOM 941 O ASN A 70 0.581 8.684 -13.065 1.00 62.02 O ATOM 942 CB ASN A 70 3.314 9.086 -14.837 1.00 12.21 C ATOM 943 CG ASN A 70 3.559 9.963 -13.624 1.00 33.00 C ATOM 944 OD1 ASN A 70 2.618 10.444 -12.992 1.00 2.11 O ATOM 945 ND2 ASN A 70 4.827 10.175 -13.294 1.00 24.23 N ATOM 0 H ASN A 70 2.482 7.471 -16.584 1.00 20.55 H new ATOM 0 HA ASN A 70 2.670 7.391 -13.683 1.00 74.21 H new ATOM 0 HB2 ASN A 70 4.260 8.660 -15.171 1.00 12.21 H new ATOM 0 HB3 ASN A 70 2.934 9.699 -15.654 1.00 12.21 H new ATOM 0 HD21 ASN A 70 5.054 10.757 -12.488 1.00 24.23 H new ATOM 0 HD22 ASN A 70 5.575 9.756 -13.847 1.00 24.23 H new ATOM 952 N SER A 71 0.195 8.866 -15.275 1.00 25.33 N ATOM 953 CA SER A 71 -1.137 9.434 -15.107 1.00 1.02 C ATOM 954 C SER A 71 -2.162 8.341 -14.821 1.00 22.42 C ATOM 955 O SER A 71 -2.293 7.383 -15.583 1.00 53.00 O ATOM 956 CB SER A 71 -1.543 10.215 -16.358 1.00 61.43 C ATOM 957 OG SER A 71 -0.404 10.652 -17.078 1.00 44.34 O ATOM 0 H SER A 71 0.484 8.749 -16.246 1.00 25.33 H new ATOM 0 HA SER A 71 -1.110 10.114 -14.256 1.00 1.02 H new ATOM 0 HB2 SER A 71 -2.163 9.587 -16.998 1.00 61.43 H new ATOM 0 HB3 SER A 71 -2.149 11.075 -16.073 1.00 61.43 H new ATOM 0 HG SER A 71 -0.690 11.147 -17.874 1.00 44.34 H new ATOM 963 N SER A 72 -2.886 8.491 -13.716 1.00 42.23 N ATOM 964 CA SER A 72 -3.897 7.515 -13.326 1.00 42.41 C ATOM 965 C SER A 72 -4.954 7.364 -14.415 1.00 73.22 C ATOM 966 O SER A 72 -5.279 6.251 -14.828 1.00 55.21 O ATOM 967 CB SER A 72 -4.558 7.933 -12.011 1.00 55.15 C ATOM 968 OG SER A 72 -5.349 9.096 -12.186 1.00 11.25 O ATOM 0 H SER A 72 -2.791 9.279 -13.075 1.00 42.23 H new ATOM 0 HA SER A 72 -3.404 6.553 -13.187 1.00 42.41 H new ATOM 0 HB2 SER A 72 -5.180 7.119 -11.638 1.00 55.15 H new ATOM 0 HB3 SER A 72 -3.792 8.120 -11.258 1.00 55.15 H new ATOM 0 HG SER A 72 -5.762 9.342 -11.332 1.00 11.25 H new ATOM 974 N GLU A 73 -5.487 8.492 -14.875 1.00 61.44 N ATOM 975 CA GLU A 73 -6.508 8.484 -15.916 1.00 14.21 C ATOM 976 C GLU A 73 -6.032 7.708 -17.140 1.00 74.33 C ATOM 977 O GLU A 73 -6.675 6.749 -17.568 1.00 2.22 O ATOM 978 CB GLU A 73 -6.871 9.916 -16.316 1.00 30.02 C ATOM 979 CG GLU A 73 -8.104 10.008 -17.198 1.00 74.44 C ATOM 980 CD GLU A 73 -7.985 11.086 -18.257 1.00 51.35 C ATOM 981 OE1 GLU A 73 -8.929 11.893 -18.391 1.00 11.14 O ATOM 982 OE2 GLU A 73 -6.949 11.124 -18.953 1.00 23.31 O ATOM 0 H GLU A 73 -5.229 9.422 -14.544 1.00 61.44 H new ATOM 0 HA GLU A 73 -7.394 7.990 -15.516 1.00 14.21 H new ATOM 0 HB2 GLU A 73 -7.035 10.506 -15.414 1.00 30.02 H new ATOM 0 HB3 GLU A 73 -6.026 10.363 -16.840 1.00 30.02 H new ATOM 0 HG2 GLU A 73 -8.273 9.046 -17.682 1.00 74.44 H new ATOM 0 HG3 GLU A 73 -8.976 10.209 -16.576 1.00 74.44 H new ATOM 989 N GLU A 74 -4.903 8.130 -17.699 1.00 65.12 N ATOM 990 CA GLU A 74 -4.341 7.475 -18.875 1.00 15.00 C ATOM 991 C GLU A 74 -4.002 6.018 -18.576 1.00 22.30 C ATOM 992 O GLU A 74 -3.993 5.175 -19.473 1.00 20.24 O ATOM 993 CB GLU A 74 -3.089 8.215 -19.349 1.00 50.04 C ATOM 994 CG GLU A 74 -2.869 8.138 -20.851 1.00 1.41 C ATOM 995 CD GLU A 74 -3.481 9.312 -21.591 1.00 35.41 C ATOM 996 OE1 GLU A 74 -4.701 9.273 -21.856 1.00 53.05 O ATOM 997 OE2 GLU A 74 -2.742 10.267 -21.905 1.00 1.54 O ATOM 0 H GLU A 74 -4.359 8.922 -17.357 1.00 65.12 H new ATOM 0 HA GLU A 74 -5.090 7.500 -19.666 1.00 15.00 H new ATOM 0 HB2 GLU A 74 -3.162 9.262 -19.054 1.00 50.04 H new ATOM 0 HB3 GLU A 74 -2.218 7.801 -18.841 1.00 50.04 H new ATOM 0 HG2 GLU A 74 -1.799 8.102 -21.056 1.00 1.41 H new ATOM 0 HG3 GLU A 74 -3.298 7.211 -21.230 1.00 1.41 H new ATOM 1004 N ALA A 75 -3.722 5.729 -17.309 1.00 52.41 N ATOM 1005 CA ALA A 75 -3.383 4.375 -16.891 1.00 33.13 C ATOM 1006 C ALA A 75 -4.575 3.437 -17.050 1.00 70.20 C ATOM 1007 O ALA A 75 -4.448 2.346 -17.606 1.00 4.52 O ATOM 1008 CB ALA A 75 -2.897 4.374 -15.449 1.00 34.21 C ATOM 0 H ALA A 75 -3.723 6.415 -16.554 1.00 52.41 H new ATOM 0 HA ALA A 75 -2.581 4.013 -17.534 1.00 33.13 H new ATOM 0 HB1 ALA A 75 -2.647 3.356 -15.150 1.00 34.21 H new ATOM 0 HB2 ALA A 75 -2.012 5.005 -15.363 1.00 34.21 H new ATOM 0 HB3 ALA A 75 -3.683 4.760 -14.800 1.00 34.21 H new ATOM 1014 N GLU A 76 -5.732 3.868 -16.558 1.00 11.51 N ATOM 1015 CA GLU A 76 -6.946 3.065 -16.645 1.00 62.01 C ATOM 1016 C GLU A 76 -7.444 2.987 -18.085 1.00 72.33 C ATOM 1017 O GLU A 76 -7.912 1.941 -18.535 1.00 51.33 O ATOM 1018 CB GLU A 76 -8.037 3.651 -15.747 1.00 75.22 C ATOM 1019 CG GLU A 76 -8.036 3.084 -14.338 1.00 24.44 C ATOM 1020 CD GLU A 76 -8.543 1.656 -14.283 1.00 34.15 C ATOM 1021 OE1 GLU A 76 -9.727 1.461 -13.936 1.00 13.04 O ATOM 1022 OE2 GLU A 76 -7.758 0.734 -14.586 1.00 2.02 O ATOM 0 H GLU A 76 -5.854 4.769 -16.095 1.00 11.51 H new ATOM 0 HA GLU A 76 -6.709 2.057 -16.306 1.00 62.01 H new ATOM 0 HB2 GLU A 76 -7.910 4.732 -15.694 1.00 75.22 H new ATOM 0 HB3 GLU A 76 -9.009 3.466 -16.203 1.00 75.22 H new ATOM 0 HG2 GLU A 76 -7.024 3.122 -13.936 1.00 24.44 H new ATOM 0 HG3 GLU A 76 -8.657 3.711 -13.698 1.00 24.44 H new ATOM 1029 N ALA A 77 -7.340 4.101 -18.802 1.00 74.24 N ATOM 1030 CA ALA A 77 -7.779 4.159 -20.191 1.00 63.24 C ATOM 1031 C ALA A 77 -6.990 3.182 -21.057 1.00 73.21 C ATOM 1032 O ALA A 77 -7.563 2.455 -21.869 1.00 61.22 O ATOM 1033 CB ALA A 77 -7.640 5.575 -20.730 1.00 22.01 C ATOM 0 H ALA A 77 -6.956 4.975 -18.444 1.00 74.24 H new ATOM 0 HA ALA A 77 -8.829 3.870 -20.227 1.00 63.24 H new ATOM 0 HB1 ALA A 77 -7.971 5.603 -21.768 1.00 22.01 H new ATOM 0 HB2 ALA A 77 -8.252 6.253 -20.135 1.00 22.01 H new ATOM 0 HB3 ALA A 77 -6.597 5.885 -20.674 1.00 22.01 H new ATOM 1039 N PHE A 78 -5.673 3.170 -20.879 1.00 55.40 N ATOM 1040 CA PHE A 78 -4.806 2.284 -21.646 1.00 30.55 C ATOM 1041 C PHE A 78 -4.990 0.833 -21.210 1.00 74.33 C ATOM 1042 O PHE A 78 -5.008 -0.077 -22.039 1.00 41.33 O ATOM 1043 CB PHE A 78 -3.342 2.696 -21.477 1.00 53.21 C ATOM 1044 CG PHE A 78 -2.814 3.512 -22.622 1.00 61.23 C ATOM 1045 CD1 PHE A 78 -2.024 2.928 -23.600 1.00 32.13 C ATOM 1046 CD2 PHE A 78 -3.106 4.863 -22.721 1.00 73.42 C ATOM 1047 CE1 PHE A 78 -1.537 3.675 -24.655 1.00 44.41 C ATOM 1048 CE2 PHE A 78 -2.622 5.615 -23.774 1.00 61.04 C ATOM 1049 CZ PHE A 78 -1.835 5.021 -24.742 1.00 11.01 C ATOM 0 H PHE A 78 -5.183 3.764 -20.210 1.00 55.40 H new ATOM 0 HA PHE A 78 -5.081 2.368 -22.697 1.00 30.55 H new ATOM 0 HB2 PHE A 78 -3.238 3.268 -20.555 1.00 53.21 H new ATOM 0 HB3 PHE A 78 -2.731 1.800 -21.367 1.00 53.21 H new ATOM 0 HD1 PHE A 78 -1.786 1.876 -23.536 1.00 32.13 H new ATOM 0 HD2 PHE A 78 -3.719 5.333 -21.966 1.00 73.42 H new ATOM 0 HE1 PHE A 78 -0.924 3.207 -25.411 1.00 44.41 H new ATOM 0 HE2 PHE A 78 -2.859 6.667 -23.841 1.00 61.04 H new ATOM 0 HZ PHE A 78 -1.454 5.608 -25.565 1.00 11.01 H new ATOM 1059 N GLN A 79 -5.127 0.626 -19.905 1.00 21.35 N ATOM 1060 CA GLN A 79 -5.309 -0.714 -19.359 1.00 25.21 C ATOM 1061 C GLN A 79 -6.552 -1.376 -19.944 1.00 21.14 C ATOM 1062 O GLN A 79 -6.513 -2.533 -20.364 1.00 53.32 O ATOM 1063 CB GLN A 79 -5.416 -0.657 -17.834 1.00 52.51 C ATOM 1064 CG GLN A 79 -4.152 -1.103 -17.118 1.00 0.14 C ATOM 1065 CD GLN A 79 -4.140 -0.708 -15.654 1.00 52.11 C ATOM 1066 OE1 GLN A 79 -5.083 -0.091 -15.158 1.00 54.11 O ATOM 1067 NE2 GLN A 79 -3.069 -1.062 -14.953 1.00 74.55 N ATOM 0 H GLN A 79 -5.116 1.369 -19.206 1.00 21.35 H new ATOM 0 HA GLN A 79 -4.439 -1.311 -19.632 1.00 25.21 H new ATOM 0 HB2 GLN A 79 -5.653 0.363 -17.533 1.00 52.51 H new ATOM 0 HB3 GLN A 79 -6.247 -1.286 -17.513 1.00 52.51 H new ATOM 0 HG2 GLN A 79 -4.056 -2.186 -17.199 1.00 0.14 H new ATOM 0 HG3 GLN A 79 -3.285 -0.668 -17.615 1.00 0.14 H new ATOM 0 HE21 GLN A 79 -2.310 -1.573 -15.404 1.00 74.55 H new ATOM 0 HE22 GLN A 79 -3.005 -0.823 -13.963 1.00 74.55 H new ATOM 1076 N LYS A 80 -7.655 -0.636 -19.967 1.00 2.41 N ATOM 1077 CA LYS A 80 -8.911 -1.149 -20.501 1.00 23.13 C ATOM 1078 C LYS A 80 -8.745 -1.590 -21.951 1.00 74.25 C ATOM 1079 O LYS A 80 -8.826 -2.778 -22.262 1.00 32.32 O ATOM 1080 CB LYS A 80 -10.004 -0.083 -20.402 1.00 74.30 C ATOM 1081 CG LYS A 80 -11.369 -0.567 -20.862 1.00 64.23 C ATOM 1082 CD LYS A 80 -12.483 0.320 -20.333 1.00 42.44 C ATOM 1083 CE LYS A 80 -12.885 1.376 -21.351 1.00 41.54 C ATOM 1084 NZ LYS A 80 -13.013 2.724 -20.731 1.00 43.45 N ATOM 0 H LYS A 80 -7.705 0.322 -19.621 1.00 2.41 H new ATOM 0 HA LYS A 80 -9.203 -2.015 -19.908 1.00 23.13 H new ATOM 0 HB2 LYS A 80 -10.077 0.256 -19.369 1.00 74.30 H new ATOM 0 HB3 LYS A 80 -9.713 0.780 -21.000 1.00 74.30 H new ATOM 0 HG2 LYS A 80 -11.402 -0.583 -21.951 1.00 64.23 H new ATOM 0 HG3 LYS A 80 -11.526 -1.591 -20.523 1.00 64.23 H new ATOM 0 HD2 LYS A 80 -13.349 -0.292 -20.081 1.00 42.44 H new ATOM 0 HD3 LYS A 80 -12.157 0.805 -19.413 1.00 42.44 H new ATOM 0 HE2 LYS A 80 -12.143 1.412 -22.149 1.00 41.54 H new ATOM 0 HE3 LYS A 80 -13.833 1.096 -21.810 1.00 41.54 H new ATOM 0 HZ1 LYS A 80 -13.288 3.416 -21.457 1.00 43.45 H new ATOM 0 HZ2 LYS A 80 -13.739 2.696 -19.987 1.00 43.45 H new ATOM 0 HZ3 LYS A 80 -12.101 3.003 -20.315 1.00 43.45 H new ATOM 1098 N ALA A 81 -8.512 -0.626 -22.836 1.00 14.35 N ATOM 1099 CA ALA A 81 -8.332 -0.916 -24.253 1.00 11.54 C ATOM 1100 C ALA A 81 -7.013 -0.348 -24.766 1.00 11.23 C ATOM 1101 O ALA A 81 -6.418 0.546 -24.163 1.00 22.41 O ATOM 1102 CB ALA A 81 -9.497 -0.359 -25.058 1.00 12.05 C ATOM 0 H ALA A 81 -8.443 0.363 -22.596 1.00 14.35 H new ATOM 0 HA ALA A 81 -8.304 -1.999 -24.376 1.00 11.54 H new ATOM 0 HB1 ALA A 81 -9.349 -0.583 -26.114 1.00 12.05 H new ATOM 0 HB2 ALA A 81 -10.426 -0.815 -24.717 1.00 12.05 H new ATOM 0 HB3 ALA A 81 -9.551 0.721 -24.920 1.00 12.05 H new ATOM 1108 N PRO A 82 -6.543 -0.877 -25.905 1.00 33.30 N ATOM 1109 CA PRO A 82 -5.289 -0.438 -26.524 1.00 32.01 C ATOM 1110 C PRO A 82 -5.391 0.968 -27.104 1.00 43.44 C ATOM 1111 O PRO A 82 -6.476 1.534 -27.238 1.00 10.24 O ATOM 1112 CB PRO A 82 -5.066 -1.462 -27.639 1.00 74.25 C ATOM 1113 CG PRO A 82 -6.429 -1.967 -27.967 1.00 60.54 C ATOM 1114 CD PRO A 82 -7.201 -1.945 -26.677 1.00 24.10 C ATOM 0 HA PRO A 82 -4.473 -0.389 -25.803 1.00 32.01 H new ATOM 0 HB2 PRO A 82 -4.593 -1.004 -28.508 1.00 74.25 H new ATOM 0 HB3 PRO A 82 -4.413 -2.270 -27.310 1.00 74.25 H new ATOM 0 HG2 PRO A 82 -6.907 -1.339 -28.719 1.00 60.54 H new ATOM 0 HG3 PRO A 82 -6.383 -2.976 -28.377 1.00 60.54 H new ATOM 0 HD2 PRO A 82 -8.256 -1.729 -26.844 1.00 24.10 H new ATOM 0 HD3 PRO A 82 -7.150 -2.904 -26.161 1.00 24.10 H new ATOM 1122 N PRO A 83 -4.234 1.548 -27.459 1.00 72.23 N ATOM 1123 CA PRO A 83 -4.167 2.895 -28.033 1.00 12.45 C ATOM 1124 C PRO A 83 -4.743 2.954 -29.443 1.00 41.53 C ATOM 1125 O PRO A 83 -5.332 3.959 -29.841 1.00 71.25 O ATOM 1126 CB PRO A 83 -2.667 3.197 -28.054 1.00 43.42 C ATOM 1127 CG PRO A 83 -2.012 1.860 -28.107 1.00 1.33 C ATOM 1128 CD PRO A 83 -2.903 0.932 -27.329 1.00 30.13 C ATOM 0 HA PRO A 83 -4.752 3.613 -27.458 1.00 12.45 H new ATOM 0 HB2 PRO A 83 -2.398 3.804 -28.918 1.00 43.42 H new ATOM 0 HB3 PRO A 83 -2.362 3.752 -27.167 1.00 43.42 H new ATOM 0 HG2 PRO A 83 -1.900 1.521 -29.137 1.00 1.33 H new ATOM 0 HG3 PRO A 83 -1.013 1.897 -27.673 1.00 1.33 H new ATOM 0 HD2 PRO A 83 -2.886 -0.078 -27.738 1.00 30.13 H new ATOM 0 HD3 PRO A 83 -2.594 0.859 -26.286 1.00 30.13 H new ATOM 1136 N MET A 84 -4.569 1.872 -30.194 1.00 44.04 N ATOM 1137 CA MET A 84 -5.073 1.801 -31.561 1.00 11.21 C ATOM 1138 C MET A 84 -4.401 2.848 -32.443 1.00 64.05 C ATOM 1139 O MET A 84 -4.837 3.998 -32.501 1.00 62.12 O ATOM 1140 CB MET A 84 -6.590 2.001 -31.578 1.00 62.33 C ATOM 1141 CG MET A 84 -7.360 0.765 -32.015 1.00 52.20 C ATOM 1142 SD MET A 84 -8.398 1.068 -33.458 1.00 61.22 S ATOM 1143 CE MET A 84 -9.638 2.156 -32.761 1.00 51.02 C ATOM 0 H MET A 84 -4.083 1.032 -29.880 1.00 44.04 H new ATOM 0 HA MET A 84 -4.839 0.813 -31.958 1.00 11.21 H new ATOM 0 HB2 MET A 84 -6.921 2.292 -30.581 1.00 62.33 H new ATOM 0 HB3 MET A 84 -6.832 2.826 -32.248 1.00 62.33 H new ATOM 0 HG2 MET A 84 -6.656 -0.036 -32.240 1.00 52.20 H new ATOM 0 HG3 MET A 84 -7.983 0.419 -31.190 1.00 52.20 H new ATOM 0 HE1 MET A 84 -10.355 2.433 -33.534 1.00 51.02 H new ATOM 0 HE2 MET A 84 -10.157 1.644 -31.951 1.00 51.02 H new ATOM 0 HE3 MET A 84 -9.157 3.054 -32.374 1.00 51.02 H new ATOM 1153 N TYR A 85 -3.337 2.443 -33.129 1.00 33.43 N ATOM 1154 CA TYR A 85 -2.603 3.347 -34.006 1.00 74.41 C ATOM 1155 C TYR A 85 -2.636 2.852 -35.449 1.00 30.52 C ATOM 1156 O TYR A 85 -2.265 1.713 -35.735 1.00 4.11 O ATOM 1157 CB TYR A 85 -1.155 3.484 -33.535 1.00 64.10 C ATOM 1158 CG TYR A 85 -0.689 4.918 -33.420 1.00 23.34 C ATOM 1159 CD1 TYR A 85 0.004 5.355 -32.297 1.00 41.33 C ATOM 1160 CD2 TYR A 85 -0.942 5.835 -34.432 1.00 21.01 C ATOM 1161 CE1 TYR A 85 0.431 6.664 -32.187 1.00 42.40 C ATOM 1162 CE2 TYR A 85 -0.517 7.146 -34.331 1.00 33.42 C ATOM 1163 CZ TYR A 85 0.169 7.556 -33.207 1.00 34.45 C ATOM 1164 OH TYR A 85 0.592 8.861 -33.101 1.00 71.34 O ATOM 0 H TYR A 85 -2.964 1.494 -33.094 1.00 33.43 H new ATOM 0 HA TYR A 85 -3.085 4.324 -33.965 1.00 74.41 H new ATOM 0 HB2 TYR A 85 -1.050 2.998 -32.565 1.00 64.10 H new ATOM 0 HB3 TYR A 85 -0.504 2.954 -34.230 1.00 64.10 H new ATOM 0 HD1 TYR A 85 0.212 4.660 -31.497 1.00 41.33 H new ATOM 0 HD2 TYR A 85 -1.480 5.518 -35.313 1.00 21.01 H new ATOM 0 HE1 TYR A 85 0.967 6.988 -31.307 1.00 42.40 H new ATOM 0 HE2 TYR A 85 -0.721 7.846 -35.128 1.00 33.42 H new ATOM 0 HH TYR A 85 0.328 9.357 -33.904 1.00 71.34 H new ATOM 1174 N ASP A 86 -3.083 3.715 -36.354 1.00 4.53 N ATOM 1175 CA ASP A 86 -3.163 3.368 -37.768 1.00 1.51 C ATOM 1176 C ASP A 86 -1.828 2.828 -38.271 1.00 72.23 C ATOM 1177 O ASP A 86 -1.783 1.826 -38.986 1.00 2.31 O ATOM 1178 CB ASP A 86 -3.576 4.589 -38.592 1.00 13.03 C ATOM 1179 CG ASP A 86 -4.898 4.385 -39.306 1.00 21.21 C ATOM 1180 OD1 ASP A 86 -4.877 4.046 -40.508 1.00 21.31 O ATOM 1181 OD2 ASP A 86 -5.953 4.563 -38.663 1.00 11.12 O ATOM 0 H ASP A 86 -3.396 4.661 -36.134 1.00 4.53 H new ATOM 0 HA ASP A 86 -3.917 2.589 -37.884 1.00 1.51 H new ATOM 0 HB2 ASP A 86 -3.650 5.457 -37.937 1.00 13.03 H new ATOM 0 HB3 ASP A 86 -2.800 4.808 -39.326 1.00 13.03 H new ATOM 1186 N ASP A 87 -0.745 3.498 -37.895 1.00 24.42 N ATOM 1187 CA ASP A 87 0.592 3.085 -38.308 1.00 75.41 C ATOM 1188 C ASP A 87 0.831 1.613 -37.983 1.00 15.52 C ATOM 1189 O ASP A 87 0.982 0.785 -38.881 1.00 31.14 O ATOM 1190 CB ASP A 87 1.651 3.950 -37.623 1.00 74.21 C ATOM 1191 CG ASP A 87 2.990 3.894 -38.331 1.00 22.43 C ATOM 1192 OD1 ASP A 87 3.659 2.841 -38.253 1.00 51.53 O ATOM 1193 OD2 ASP A 87 3.370 4.901 -38.963 1.00 14.54 O ATOM 0 H ASP A 87 -0.766 4.330 -37.305 1.00 24.42 H new ATOM 0 HA ASP A 87 0.669 3.217 -39.387 1.00 75.41 H new ATOM 0 HB2 ASP A 87 1.305 4.983 -37.588 1.00 74.21 H new ATOM 0 HB3 ASP A 87 1.774 3.620 -36.592 1.00 74.21 H new ATOM 1198 N VAL A 88 0.864 1.296 -36.692 1.00 62.24 N ATOM 1199 CA VAL A 88 1.085 -0.075 -36.248 1.00 71.21 C ATOM 1200 C VAL A 88 0.018 -0.508 -35.249 1.00 54.41 C ATOM 1201 O VAL A 88 -0.268 0.202 -34.285 1.00 43.43 O ATOM 1202 CB VAL A 88 2.474 -0.239 -35.602 1.00 75.43 C ATOM 1203 CG1 VAL A 88 2.692 -1.679 -35.163 1.00 74.32 C ATOM 1204 CG2 VAL A 88 3.564 0.204 -36.566 1.00 23.14 C ATOM 0 H VAL A 88 0.741 1.970 -35.936 1.00 62.24 H new ATOM 0 HA VAL A 88 1.027 -0.708 -37.134 1.00 71.21 H new ATOM 0 HB VAL A 88 2.522 0.396 -34.717 1.00 75.43 H new ATOM 0 HG11 VAL A 88 3.678 -1.776 -34.709 1.00 74.32 H new ATOM 0 HG12 VAL A 88 1.929 -1.957 -34.436 1.00 74.32 H new ATOM 0 HG13 VAL A 88 2.625 -2.337 -36.029 1.00 74.32 H new ATOM 0 HG21 VAL A 88 4.539 0.082 -36.094 1.00 23.14 H new ATOM 0 HG22 VAL A 88 3.520 -0.404 -37.470 1.00 23.14 H new ATOM 0 HG23 VAL A 88 3.416 1.252 -36.826 1.00 23.14 H new ATOM 1214 N GLN A 89 -0.568 -1.677 -35.486 1.00 52.13 N ATOM 1215 CA GLN A 89 -1.605 -2.204 -34.607 1.00 2.24 C ATOM 1216 C GLN A 89 -1.040 -2.515 -33.225 1.00 4.44 C ATOM 1217 O GLN A 89 -0.116 -3.318 -33.086 1.00 50.31 O ATOM 1218 CB GLN A 89 -2.225 -3.464 -35.212 1.00 70.22 C ATOM 1219 CG GLN A 89 -3.531 -3.207 -35.946 1.00 33.21 C ATOM 1220 CD GLN A 89 -4.375 -4.458 -36.091 1.00 61.34 C ATOM 1221 OE1 GLN A 89 -4.293 -5.375 -35.273 1.00 14.43 O ATOM 1222 NE2 GLN A 89 -5.192 -4.503 -37.137 1.00 70.41 N ATOM 0 H GLN A 89 -0.342 -2.277 -36.279 1.00 52.13 H new ATOM 0 HA GLN A 89 -2.378 -1.442 -34.501 1.00 2.24 H new ATOM 0 HB2 GLN A 89 -1.512 -3.914 -35.903 1.00 70.22 H new ATOM 0 HB3 GLN A 89 -2.401 -4.190 -34.418 1.00 70.22 H new ATOM 0 HG2 GLN A 89 -4.101 -2.449 -35.410 1.00 33.21 H new ATOM 0 HG3 GLN A 89 -3.314 -2.803 -36.935 1.00 33.21 H new ATOM 0 HE21 GLN A 89 -5.228 -3.720 -37.790 1.00 70.41 H new ATOM 0 HE22 GLN A 89 -5.784 -5.320 -37.287 1.00 70.41 H new ATOM 1231 N LEU A 90 -1.599 -1.874 -32.204 1.00 52.44 N ATOM 1232 CA LEU A 90 -1.151 -2.081 -30.832 1.00 22.22 C ATOM 1233 C LEU A 90 -2.090 -3.026 -30.089 1.00 52.10 C ATOM 1234 O LEU A 90 -3.312 -2.926 -30.209 1.00 21.11 O ATOM 1235 CB LEU A 90 -1.066 -0.744 -30.094 1.00 51.33 C ATOM 1236 CG LEU A 90 0.335 -0.293 -29.680 1.00 22.31 C ATOM 1237 CD1 LEU A 90 0.998 -1.347 -28.807 1.00 23.41 C ATOM 1238 CD2 LEU A 90 1.186 -0.002 -30.907 1.00 65.11 C ATOM 0 H LEU A 90 -2.364 -1.206 -32.301 1.00 52.44 H new ATOM 0 HA LEU A 90 -0.160 -2.534 -30.865 1.00 22.22 H new ATOM 0 HB2 LEU A 90 -1.501 0.027 -30.730 1.00 51.33 H new ATOM 0 HB3 LEU A 90 -1.685 -0.806 -29.199 1.00 51.33 H new ATOM 0 HG LEU A 90 0.244 0.625 -29.100 1.00 22.31 H new ATOM 0 HD11 LEU A 90 1.994 -1.009 -28.522 1.00 23.41 H new ATOM 0 HD12 LEU A 90 0.399 -1.507 -27.911 1.00 23.41 H new ATOM 0 HD13 LEU A 90 1.077 -2.282 -29.362 1.00 23.41 H new ATOM 0 HD21 LEU A 90 2.180 0.318 -30.593 1.00 65.11 H new ATOM 0 HD22 LEU A 90 1.270 -0.904 -31.514 1.00 65.11 H new ATOM 0 HD23 LEU A 90 0.719 0.789 -31.494 1.00 65.11 H new ATOM 1250 N THR A 91 -1.512 -3.943 -29.319 1.00 13.52 N ATOM 1251 CA THR A 91 -2.297 -4.904 -28.555 1.00 71.44 C ATOM 1252 C THR A 91 -1.912 -4.881 -27.081 1.00 20.33 C ATOM 1253 O THR A 91 -0.857 -5.386 -26.697 1.00 11.50 O ATOM 1254 CB THR A 91 -2.117 -6.334 -29.099 1.00 65.30 C ATOM 1255 OG1 THR A 91 -1.739 -6.290 -30.479 1.00 43.45 O ATOM 1256 CG2 THR A 91 -3.399 -7.138 -28.945 1.00 10.22 C ATOM 0 H THR A 91 -0.503 -4.040 -29.208 1.00 13.52 H new ATOM 0 HA THR A 91 -3.342 -4.612 -28.659 1.00 71.44 H new ATOM 0 HB THR A 91 -1.330 -6.821 -28.523 1.00 65.30 H new ATOM 0 HG1 THR A 91 -1.625 -7.203 -30.816 1.00 43.45 H new ATOM 0 HG21 THR A 91 -3.247 -8.144 -29.336 1.00 10.22 H new ATOM 0 HG22 THR A 91 -3.668 -7.196 -27.890 1.00 10.22 H new ATOM 0 HG23 THR A 91 -4.202 -6.651 -29.498 1.00 10.22 H new ATOM 1264 N ALA A 92 -2.774 -4.293 -26.258 1.00 33.41 N ATOM 1265 CA ALA A 92 -2.525 -4.207 -24.824 1.00 71.33 C ATOM 1266 C ALA A 92 -3.528 -5.048 -24.041 1.00 40.23 C ATOM 1267 O ALA A 92 -4.703 -5.121 -24.400 1.00 21.25 O ATOM 1268 CB ALA A 92 -2.577 -2.757 -24.366 1.00 22.42 C ATOM 0 H ALA A 92 -3.651 -3.869 -26.560 1.00 33.41 H new ATOM 0 HA ALA A 92 -1.528 -4.603 -24.629 1.00 71.33 H new ATOM 0 HB1 ALA A 92 -2.389 -2.707 -23.293 1.00 22.42 H new ATOM 0 HB2 ALA A 92 -1.817 -2.181 -24.894 1.00 22.42 H new ATOM 0 HB3 ALA A 92 -3.562 -2.342 -24.582 1.00 22.42 H new ATOM 1274 N GLU A 93 -3.056 -5.681 -22.972 1.00 4.52 N ATOM 1275 CA GLU A 93 -3.912 -6.517 -22.140 1.00 33.22 C ATOM 1276 C GLU A 93 -4.088 -5.906 -20.753 1.00 20.25 C ATOM 1277 O GLU A 93 -3.376 -4.975 -20.378 1.00 64.14 O ATOM 1278 CB GLU A 93 -3.325 -7.925 -22.018 1.00 52.04 C ATOM 1279 CG GLU A 93 -3.784 -8.872 -23.114 1.00 62.42 C ATOM 1280 CD GLU A 93 -5.221 -9.320 -22.934 1.00 73.31 C ATOM 1281 OE1 GLU A 93 -5.576 -10.399 -23.455 1.00 43.55 O ATOM 1282 OE2 GLU A 93 -5.991 -8.593 -22.273 1.00 35.42 O ATOM 0 H GLU A 93 -2.086 -5.631 -22.662 1.00 4.52 H new ATOM 0 HA GLU A 93 -4.890 -6.579 -22.618 1.00 33.22 H new ATOM 0 HB2 GLU A 93 -2.237 -7.859 -22.038 1.00 52.04 H new ATOM 0 HB3 GLU A 93 -3.601 -8.342 -21.050 1.00 52.04 H new ATOM 0 HG2 GLU A 93 -3.679 -8.380 -24.081 1.00 62.42 H new ATOM 0 HG3 GLU A 93 -3.134 -9.747 -23.129 1.00 62.42 H new ATOM 1289 N MET A 94 -5.042 -6.437 -19.995 1.00 71.20 N ATOM 1290 CA MET A 94 -5.311 -5.945 -18.649 1.00 54.20 C ATOM 1291 C MET A 94 -4.729 -6.886 -17.599 1.00 45.43 C ATOM 1292 O MET A 94 -4.544 -8.076 -17.852 1.00 23.42 O ATOM 1293 CB MET A 94 -6.818 -5.790 -18.432 1.00 2.45 C ATOM 1294 CG MET A 94 -7.177 -4.733 -17.400 1.00 11.32 C ATOM 1295 SD MET A 94 -8.958 -4.532 -17.202 1.00 51.15 S ATOM 1296 CE MET A 94 -9.122 -2.758 -17.389 1.00 25.02 C ATOM 0 H MET A 94 -5.641 -7.208 -20.290 1.00 71.20 H new ATOM 0 HA MET A 94 -4.833 -4.971 -18.543 1.00 54.20 H new ATOM 0 HB2 MET A 94 -7.289 -5.534 -19.381 1.00 2.45 H new ATOM 0 HB3 MET A 94 -7.232 -6.748 -18.118 1.00 2.45 H new ATOM 0 HG2 MET A 94 -6.737 -5.004 -16.440 1.00 11.32 H new ATOM 0 HG3 MET A 94 -6.738 -3.780 -17.694 1.00 11.32 H new ATOM 0 HE1 MET A 94 -10.033 -2.533 -17.944 1.00 25.02 H new ATOM 0 HE2 MET A 94 -9.172 -2.291 -16.405 1.00 25.02 H new ATOM 0 HE3 MET A 94 -8.261 -2.368 -17.932 1.00 25.02 H new ATOM 1306 N LYS A 95 -4.440 -6.344 -16.421 1.00 34.13 N ATOM 1307 CA LYS A 95 -3.879 -7.135 -15.332 1.00 12.45 C ATOM 1308 C LYS A 95 -4.811 -8.282 -14.956 1.00 71.41 C ATOM 1309 O LYS A 95 -4.362 -9.391 -14.665 1.00 23.35 O ATOM 1310 CB LYS A 95 -3.625 -6.249 -14.109 1.00 74.14 C ATOM 1311 CG LYS A 95 -4.871 -5.544 -13.600 1.00 45.00 C ATOM 1312 CD LYS A 95 -4.519 -4.375 -12.695 1.00 24.30 C ATOM 1313 CE LYS A 95 -5.609 -3.314 -12.705 1.00 65.44 C ATOM 1314 NZ LYS A 95 -5.598 -2.496 -11.461 1.00 42.13 N ATOM 0 H LYS A 95 -4.585 -5.360 -16.196 1.00 34.13 H new ATOM 0 HA LYS A 95 -2.933 -7.556 -15.672 1.00 12.45 H new ATOM 0 HB2 LYS A 95 -3.211 -6.860 -13.307 1.00 74.14 H new ATOM 0 HB3 LYS A 95 -2.873 -5.502 -14.362 1.00 74.14 H new ATOM 0 HG2 LYS A 95 -5.459 -5.187 -14.445 1.00 45.00 H new ATOM 0 HG3 LYS A 95 -5.494 -6.253 -13.055 1.00 45.00 H new ATOM 0 HD2 LYS A 95 -4.369 -4.734 -11.677 1.00 24.30 H new ATOM 0 HD3 LYS A 95 -3.577 -3.933 -13.019 1.00 24.30 H new ATOM 0 HE2 LYS A 95 -5.474 -2.663 -13.569 1.00 65.44 H new ATOM 0 HE3 LYS A 95 -6.582 -3.794 -12.816 1.00 65.44 H new ATOM 0 HZ1 LYS A 95 -6.355 -1.785 -11.507 1.00 42.13 H new ATOM 0 HZ2 LYS A 95 -5.752 -3.113 -10.638 1.00 42.13 H new ATOM 0 HZ3 LYS A 95 -4.679 -2.018 -11.368 1.00 42.13 H new ATOM 1328 N THR A 96 -6.112 -8.010 -14.966 1.00 53.04 N ATOM 1329 CA THR A 96 -7.107 -9.020 -14.628 1.00 13.55 C ATOM 1330 C THR A 96 -7.063 -10.186 -15.608 1.00 23.23 C ATOM 1331 O THR A 96 -7.077 -11.350 -15.206 1.00 34.15 O ATOM 1332 CB THR A 96 -8.529 -8.426 -14.617 1.00 62.34 C ATOM 1333 OG1 THR A 96 -8.467 -7.009 -14.424 1.00 44.22 O ATOM 1334 CG2 THR A 96 -9.370 -9.057 -13.518 1.00 54.41 C ATOM 0 H THR A 96 -6.501 -7.098 -15.205 1.00 53.04 H new ATOM 0 HA THR A 96 -6.864 -9.381 -13.629 1.00 13.55 H new ATOM 0 HB THR A 96 -8.996 -8.640 -15.578 1.00 62.34 H new ATOM 0 HG1 THR A 96 -9.375 -6.639 -14.420 1.00 44.22 H new ATOM 0 HG21 THR A 96 -10.369 -8.622 -13.530 1.00 54.41 H new ATOM 0 HG22 THR A 96 -9.440 -10.132 -13.685 1.00 54.41 H new ATOM 0 HG23 THR A 96 -8.904 -8.870 -12.551 1.00 54.41 H new ATOM 1342 N THR A 97 -7.007 -9.868 -16.897 1.00 55.13 N ATOM 1343 CA THR A 97 -6.961 -10.890 -17.935 1.00 52.24 C ATOM 1344 C THR A 97 -5.782 -11.833 -17.727 1.00 5.53 C ATOM 1345 O THR A 97 -5.960 -13.041 -17.572 1.00 41.04 O ATOM 1346 CB THR A 97 -6.860 -10.262 -19.338 1.00 44.51 C ATOM 1347 OG1 THR A 97 -7.298 -8.899 -19.298 1.00 34.14 O ATOM 1348 CG2 THR A 97 -7.697 -11.040 -20.342 1.00 13.34 C ATOM 0 H THR A 97 -6.992 -8.910 -17.247 1.00 55.13 H new ATOM 0 HA THR A 97 -7.891 -11.454 -17.864 1.00 52.24 H new ATOM 0 HB THR A 97 -5.817 -10.299 -19.653 1.00 44.51 H new ATOM 0 HG1 THR A 97 -7.229 -8.507 -20.193 1.00 34.14 H new ATOM 0 HG21 THR A 97 -7.609 -10.577 -21.325 1.00 13.34 H new ATOM 0 HG22 THR A 97 -7.341 -12.069 -20.392 1.00 13.34 H new ATOM 0 HG23 THR A 97 -8.741 -11.032 -20.029 1.00 13.34 H new ATOM 1356 N TYR A 98 -4.577 -11.273 -17.722 1.00 41.13 N ATOM 1357 CA TYR A 98 -3.367 -12.065 -17.534 1.00 11.30 C ATOM 1358 C TYR A 98 -3.461 -12.910 -16.267 1.00 43.22 C ATOM 1359 O TYR A 98 -3.180 -14.109 -16.284 1.00 73.14 O ATOM 1360 CB TYR A 98 -2.141 -11.152 -17.462 1.00 73.43 C ATOM 1361 CG TYR A 98 -1.245 -11.246 -18.677 1.00 13.24 C ATOM 1362 CD1 TYR A 98 -1.779 -11.243 -19.960 1.00 3.13 C ATOM 1363 CD2 TYR A 98 0.134 -11.338 -18.541 1.00 44.11 C ATOM 1364 CE1 TYR A 98 -0.964 -11.329 -21.072 1.00 51.32 C ATOM 1365 CE2 TYR A 98 0.957 -11.423 -19.648 1.00 13.41 C ATOM 1366 CZ TYR A 98 0.403 -11.418 -20.911 1.00 51.21 C ATOM 1367 OH TYR A 98 1.219 -11.503 -22.016 1.00 75.50 O ATOM 0 H TYR A 98 -4.412 -10.274 -17.846 1.00 41.13 H new ATOM 0 HA TYR A 98 -3.264 -12.734 -18.388 1.00 11.30 H new ATOM 0 HB2 TYR A 98 -2.473 -10.120 -17.344 1.00 73.43 H new ATOM 0 HB3 TYR A 98 -1.562 -11.404 -16.573 1.00 73.43 H new ATOM 0 HD1 TYR A 98 -2.849 -11.172 -20.090 1.00 3.13 H new ATOM 0 HD2 TYR A 98 0.571 -11.343 -17.553 1.00 44.11 H new ATOM 0 HE1 TYR A 98 -1.395 -11.327 -22.062 1.00 51.32 H new ATOM 0 HE2 TYR A 98 2.028 -11.493 -19.525 1.00 13.41 H new ATOM 0 HH TYR A 98 0.802 -11.032 -22.768 1.00 75.50 H new ATOM 1377 N LEU A 99 -3.858 -12.276 -15.169 1.00 44.03 N ATOM 1378 CA LEU A 99 -3.990 -12.968 -13.892 1.00 1.01 C ATOM 1379 C LEU A 99 -4.849 -14.220 -14.037 1.00 53.22 C ATOM 1380 O LEU A 99 -4.488 -15.291 -13.552 1.00 32.31 O ATOM 1381 CB LEU A 99 -4.601 -12.035 -12.845 1.00 4.11 C ATOM 1382 CG LEU A 99 -4.998 -12.683 -11.518 1.00 60.33 C ATOM 1383 CD1 LEU A 99 -4.782 -11.715 -10.365 1.00 73.33 C ATOM 1384 CD2 LEU A 99 -6.447 -13.147 -11.564 1.00 4.10 C ATOM 0 H LEU A 99 -4.094 -11.284 -15.138 1.00 44.03 H new ATOM 0 HA LEU A 99 -2.995 -13.269 -13.565 1.00 1.01 H new ATOM 0 HB2 LEU A 99 -3.887 -11.237 -12.638 1.00 4.11 H new ATOM 0 HB3 LEU A 99 -5.486 -11.567 -13.277 1.00 4.11 H new ATOM 0 HG LEU A 99 -4.363 -13.554 -11.357 1.00 60.33 H new ATOM 0 HD11 LEU A 99 -5.070 -12.194 -9.429 1.00 73.33 H new ATOM 0 HD12 LEU A 99 -3.730 -11.432 -10.319 1.00 73.33 H new ATOM 0 HD13 LEU A 99 -5.391 -10.824 -10.519 1.00 73.33 H new ATOM 0 HD21 LEU A 99 -6.713 -13.606 -10.612 1.00 4.10 H new ATOM 0 HD22 LEU A 99 -7.097 -12.292 -11.749 1.00 4.10 H new ATOM 0 HD23 LEU A 99 -6.570 -13.876 -12.365 1.00 4.10 H new ATOM 1396 N GLU A 100 -5.987 -14.076 -14.710 1.00 43.22 N ATOM 1397 CA GLU A 100 -6.896 -15.196 -14.920 1.00 52.03 C ATOM 1398 C GLU A 100 -6.243 -16.273 -15.782 1.00 30.15 C ATOM 1399 O GLU A 100 -6.430 -17.467 -15.548 1.00 62.30 O ATOM 1400 CB GLU A 100 -8.190 -14.714 -15.581 1.00 22.54 C ATOM 1401 CG GLU A 100 -9.441 -15.056 -14.789 1.00 70.31 C ATOM 1402 CD GLU A 100 -10.713 -14.638 -15.500 1.00 14.21 C ATOM 1403 OE1 GLU A 100 -11.035 -15.242 -16.545 1.00 3.13 O ATOM 1404 OE2 GLU A 100 -11.387 -13.707 -15.012 1.00 55.21 O ATOM 0 H GLU A 100 -6.301 -13.195 -15.118 1.00 43.22 H new ATOM 0 HA GLU A 100 -7.131 -15.627 -13.947 1.00 52.03 H new ATOM 0 HB2 GLU A 100 -8.139 -13.634 -15.715 1.00 22.54 H new ATOM 0 HB3 GLU A 100 -8.267 -15.155 -16.575 1.00 22.54 H new ATOM 0 HG2 GLU A 100 -9.468 -16.130 -14.605 1.00 70.31 H new ATOM 0 HG3 GLU A 100 -9.396 -14.567 -13.816 1.00 70.31 H new ATOM 1411 N ARG A 101 -5.477 -15.842 -16.778 1.00 50.42 N ATOM 1412 CA ARG A 101 -4.797 -16.768 -17.676 1.00 14.13 C ATOM 1413 C ARG A 101 -3.840 -17.670 -16.903 1.00 21.13 C ATOM 1414 O ARG A 101 -3.944 -18.896 -16.956 1.00 54.34 O ATOM 1415 CB ARG A 101 -4.032 -15.998 -18.753 1.00 63.13 C ATOM 1416 CG ARG A 101 -4.230 -16.552 -20.155 1.00 20.33 C ATOM 1417 CD ARG A 101 -5.653 -16.333 -20.644 1.00 61.23 C ATOM 1418 NE ARG A 101 -5.691 -15.884 -22.034 1.00 22.55 N ATOM 1419 CZ ARG A 101 -5.550 -16.699 -23.073 1.00 72.41 C ATOM 1420 NH1 ARG A 101 -5.364 -17.998 -22.881 1.00 61.02 N ATOM 1421 NH2 ARG A 101 -5.596 -16.216 -24.308 1.00 14.32 N ATOM 0 H ARG A 101 -5.311 -14.857 -16.984 1.00 50.42 H new ATOM 0 HA ARG A 101 -5.552 -17.393 -18.153 1.00 14.13 H new ATOM 0 HB2 ARG A 101 -4.348 -14.955 -18.736 1.00 63.13 H new ATOM 0 HB3 ARG A 101 -2.969 -16.013 -18.512 1.00 63.13 H new ATOM 0 HG2 ARG A 101 -3.531 -16.072 -20.839 1.00 20.33 H new ATOM 0 HG3 ARG A 101 -4.002 -17.618 -20.162 1.00 20.33 H new ATOM 0 HD2 ARG A 101 -6.216 -17.261 -20.547 1.00 61.23 H new ATOM 0 HD3 ARG A 101 -6.144 -15.594 -20.011 1.00 61.23 H new ATOM 0 HE ARG A 101 -5.834 -14.891 -22.216 1.00 22.55 H new ATOM 0 HH11 ARG A 101 -5.329 -18.374 -21.933 1.00 61.02 H new ATOM 0 HH12 ARG A 101 -5.256 -18.621 -23.681 1.00 61.02 H new ATOM 0 HH21 ARG A 101 -5.740 -15.218 -24.460 1.00 14.32 H new ATOM 0 HH22 ARG A 101 -5.488 -16.843 -25.105 1.00 14.32 H new ATOM 1435 N LYS A 102 -2.906 -17.056 -16.184 1.00 53.43 N ATOM 1436 CA LYS A 102 -1.930 -17.801 -15.399 1.00 61.42 C ATOM 1437 C LYS A 102 -2.622 -18.668 -14.351 1.00 44.34 C ATOM 1438 O LYS A 102 -2.213 -19.802 -14.102 1.00 54.53 O ATOM 1439 CB LYS A 102 -0.952 -16.841 -14.718 1.00 32.32 C ATOM 1440 CG LYS A 102 -1.629 -15.822 -13.818 1.00 44.40 C ATOM 1441 CD LYS A 102 -0.620 -14.867 -13.201 1.00 54.42 C ATOM 1442 CE LYS A 102 0.286 -15.578 -12.209 1.00 23.13 C ATOM 1443 NZ LYS A 102 0.040 -15.128 -10.811 1.00 33.13 N ATOM 0 H LYS A 102 -2.805 -16.043 -16.129 1.00 53.43 H new ATOM 0 HA LYS A 102 -1.377 -18.452 -16.076 1.00 61.42 H new ATOM 0 HB2 LYS A 102 -0.240 -17.418 -14.128 1.00 32.32 H new ATOM 0 HB3 LYS A 102 -0.380 -16.315 -15.482 1.00 32.32 H new ATOM 0 HG2 LYS A 102 -2.362 -15.257 -14.394 1.00 44.40 H new ATOM 0 HG3 LYS A 102 -2.174 -16.338 -13.027 1.00 44.40 H new ATOM 0 HD2 LYS A 102 -0.016 -14.416 -13.988 1.00 54.42 H new ATOM 0 HD3 LYS A 102 -1.146 -14.056 -12.698 1.00 54.42 H new ATOM 0 HE2 LYS A 102 0.126 -16.654 -12.278 1.00 23.13 H new ATOM 0 HE3 LYS A 102 1.328 -15.394 -12.472 1.00 23.13 H new ATOM 0 HZ1 LYS A 102 0.677 -15.636 -10.165 1.00 33.13 H new ATOM 0 HZ2 LYS A 102 0.217 -14.106 -10.739 1.00 33.13 H new ATOM 0 HZ3 LYS A 102 -0.947 -15.327 -10.551 1.00 33.13 H new ATOM 1457 N ALA A 103 -3.671 -18.126 -13.742 1.00 33.40 N ATOM 1458 CA ALA A 103 -4.421 -18.851 -12.724 1.00 74.51 C ATOM 1459 C ALA A 103 -4.988 -20.152 -13.282 1.00 72.44 C ATOM 1460 O ALA A 103 -4.927 -21.195 -12.632 1.00 73.43 O ATOM 1461 CB ALA A 103 -5.540 -17.980 -12.172 1.00 21.21 C ATOM 0 H ALA A 103 -4.021 -17.188 -13.936 1.00 33.40 H new ATOM 0 HA ALA A 103 -3.736 -19.101 -11.914 1.00 74.51 H new ATOM 0 HB1 ALA A 103 -6.092 -18.534 -11.413 1.00 21.21 H new ATOM 0 HB2 ALA A 103 -5.115 -17.080 -11.727 1.00 21.21 H new ATOM 0 HB3 ALA A 103 -6.216 -17.701 -12.980 1.00 21.21 H new ATOM 1467 N GLU A 104 -5.540 -20.082 -14.490 1.00 65.30 N ATOM 1468 CA GLU A 104 -6.118 -21.256 -15.134 1.00 15.41 C ATOM 1469 C GLU A 104 -5.029 -22.236 -15.559 1.00 52.13 C ATOM 1470 O GLU A 104 -5.209 -23.451 -15.481 1.00 4.44 O ATOM 1471 CB GLU A 104 -6.949 -20.840 -16.350 1.00 1.30 C ATOM 1472 CG GLU A 104 -8.318 -21.496 -16.405 1.00 71.12 C ATOM 1473 CD GLU A 104 -8.316 -22.784 -17.206 1.00 1.12 C ATOM 1474 OE1 GLU A 104 -8.565 -22.722 -18.428 1.00 73.31 O ATOM 1475 OE2 GLU A 104 -8.065 -23.853 -16.611 1.00 12.42 O ATOM 0 H GLU A 104 -5.599 -19.226 -15.041 1.00 65.30 H new ATOM 0 HA GLU A 104 -6.766 -21.752 -14.412 1.00 15.41 H new ATOM 0 HB2 GLU A 104 -7.074 -19.757 -16.341 1.00 1.30 H new ATOM 0 HB3 GLU A 104 -6.399 -21.089 -17.258 1.00 1.30 H new ATOM 0 HG2 GLU A 104 -8.658 -21.704 -15.391 1.00 71.12 H new ATOM 0 HG3 GLU A 104 -9.033 -20.800 -16.845 1.00 71.12 H new ATOM 1482 N GLU A 105 -3.900 -21.698 -16.011 1.00 13.14 N ATOM 1483 CA GLU A 105 -2.783 -22.525 -16.450 1.00 22.22 C ATOM 1484 C GLU A 105 -2.272 -23.401 -15.309 1.00 15.43 C ATOM 1485 O GLU A 105 -2.303 -24.629 -15.393 1.00 40.33 O ATOM 1486 CB GLU A 105 -1.647 -21.648 -16.981 1.00 15.41 C ATOM 1487 CG GLU A 105 -0.606 -22.416 -17.777 1.00 41.42 C ATOM 1488 CD GLU A 105 -0.207 -21.704 -19.055 1.00 43.50 C ATOM 1489 OE1 GLU A 105 0.680 -20.826 -18.992 1.00 55.31 O ATOM 1490 OE2 GLU A 105 -0.780 -22.023 -20.117 1.00 60.41 O ATOM 0 H GLU A 105 -3.735 -20.694 -16.082 1.00 13.14 H new ATOM 0 HA GLU A 105 -3.138 -23.173 -17.252 1.00 22.22 H new ATOM 0 HB2 GLU A 105 -2.068 -20.864 -17.611 1.00 15.41 H new ATOM 0 HB3 GLU A 105 -1.158 -21.154 -16.141 1.00 15.41 H new ATOM 0 HG2 GLU A 105 0.279 -22.568 -17.159 1.00 41.42 H new ATOM 0 HG3 GLU A 105 -0.997 -23.403 -18.022 1.00 41.42 H new ATOM 1497 N ILE A 106 -1.804 -22.760 -14.243 1.00 44.45 N ATOM 1498 CA ILE A 106 -1.287 -23.479 -13.086 1.00 32.13 C ATOM 1499 C ILE A 106 -2.336 -24.429 -12.516 1.00 44.22 C ATOM 1500 O ILE A 106 -2.009 -25.512 -12.032 1.00 2.23 O ATOM 1501 CB ILE A 106 -0.832 -22.511 -11.978 1.00 15.41 C ATOM 1502 CG1 ILE A 106 -0.256 -23.290 -10.794 1.00 14.21 C ATOM 1503 CG2 ILE A 106 -1.994 -21.636 -11.529 1.00 61.40 C ATOM 1504 CD1 ILE A 106 1.014 -22.689 -10.236 1.00 5.33 C ATOM 0 H ILE A 106 -1.772 -21.744 -14.157 1.00 44.45 H new ATOM 0 HA ILE A 106 -0.427 -24.054 -13.430 1.00 32.13 H new ATOM 0 HB ILE A 106 -0.050 -21.866 -12.378 1.00 15.41 H new ATOM 0 HG12 ILE A 106 -1.004 -23.338 -10.003 1.00 14.21 H new ATOM 0 HG13 ILE A 106 -0.057 -24.315 -11.106 1.00 14.21 H new ATOM 0 HG21 ILE A 106 -1.657 -20.957 -10.746 1.00 61.40 H new ATOM 0 HG22 ILE A 106 -2.363 -21.058 -12.376 1.00 61.40 H new ATOM 0 HG23 ILE A 106 -2.796 -22.266 -11.143 1.00 61.40 H new ATOM 0 HD11 ILE A 106 1.365 -23.293 -9.400 1.00 5.33 H new ATOM 0 HD12 ILE A 106 1.778 -22.666 -11.013 1.00 5.33 H new ATOM 0 HD13 ILE A 106 0.816 -21.674 -9.892 1.00 5.33 H new ATOM 1516 N ALA A 107 -3.597 -24.016 -12.580 1.00 11.32 N ATOM 1517 CA ALA A 107 -4.694 -24.831 -12.074 1.00 74.22 C ATOM 1518 C ALA A 107 -4.805 -26.142 -12.846 1.00 11.13 C ATOM 1519 O ALA A 107 -5.069 -27.194 -12.265 1.00 60.31 O ATOM 1520 CB ALA A 107 -6.004 -24.060 -12.150 1.00 3.21 C ATOM 0 H ALA A 107 -3.884 -23.122 -12.977 1.00 11.32 H new ATOM 0 HA ALA A 107 -4.485 -25.069 -11.031 1.00 74.22 H new ATOM 0 HB1 ALA A 107 -6.814 -24.681 -11.769 1.00 3.21 H new ATOM 0 HB2 ALA A 107 -5.928 -23.154 -11.549 1.00 3.21 H new ATOM 0 HB3 ALA A 107 -6.209 -23.792 -13.187 1.00 3.21 H new ATOM 1526 N ALA A 108 -4.602 -26.070 -14.157 1.00 73.21 N ATOM 1527 CA ALA A 108 -4.678 -27.252 -15.008 1.00 11.44 C ATOM 1528 C ALA A 108 -3.592 -28.259 -14.646 1.00 31.02 C ATOM 1529 O ALA A 108 -3.838 -29.465 -14.604 1.00 0.33 O ATOM 1530 CB ALA A 108 -4.566 -26.855 -16.472 1.00 74.44 C ATOM 0 H ALA A 108 -4.384 -25.206 -14.653 1.00 73.21 H new ATOM 0 HA ALA A 108 -5.646 -27.726 -14.845 1.00 11.44 H new ATOM 0 HB1 ALA A 108 -4.624 -27.747 -17.096 1.00 74.44 H new ATOM 0 HB2 ALA A 108 -5.381 -26.178 -16.729 1.00 74.44 H new ATOM 0 HB3 ALA A 108 -3.612 -26.355 -16.641 1.00 74.44 H new ATOM 1536 N LYS A 109 -2.389 -27.758 -14.386 1.00 14.32 N ATOM 1537 CA LYS A 109 -1.265 -28.613 -14.027 1.00 25.21 C ATOM 1538 C LYS A 109 -1.487 -29.260 -12.664 1.00 24.54 C ATOM 1539 O LYS A 109 -1.437 -30.483 -12.530 1.00 32.41 O ATOM 1540 CB LYS A 109 0.034 -27.804 -14.014 1.00 3.04 C ATOM 1541 CG LYS A 109 0.283 -27.032 -15.298 1.00 11.44 C ATOM 1542 CD LYS A 109 1.543 -27.509 -16.001 1.00 34.15 C ATOM 1543 CE LYS A 109 1.330 -28.858 -16.671 1.00 14.22 C ATOM 1544 NZ LYS A 109 2.594 -29.400 -17.240 1.00 23.33 N ATOM 0 H LYS A 109 -2.168 -26.763 -14.417 1.00 14.32 H new ATOM 0 HA LYS A 109 -1.187 -29.402 -14.775 1.00 25.21 H new ATOM 0 HB2 LYS A 109 0.008 -27.104 -13.179 1.00 3.04 H new ATOM 0 HB3 LYS A 109 0.871 -28.480 -13.838 1.00 3.04 H new ATOM 0 HG2 LYS A 109 -0.572 -27.147 -15.964 1.00 11.44 H new ATOM 0 HG3 LYS A 109 0.371 -25.969 -15.073 1.00 11.44 H new ATOM 0 HD2 LYS A 109 1.845 -26.774 -16.747 1.00 34.15 H new ATOM 0 HD3 LYS A 109 2.357 -27.584 -15.280 1.00 34.15 H new ATOM 0 HE2 LYS A 109 0.926 -29.564 -15.945 1.00 14.22 H new ATOM 0 HE3 LYS A 109 0.589 -28.757 -17.464 1.00 14.22 H new ATOM 0 HZ1 LYS A 109 2.407 -30.320 -17.688 1.00 23.33 H new ATOM 0 HZ2 LYS A 109 2.966 -28.738 -17.951 1.00 23.33 H new ATOM 0 HZ3 LYS A 109 3.293 -29.521 -16.480 1.00 23.33 H new ATOM 1558 N LYS A 110 -1.733 -28.433 -11.654 1.00 2.22 N ATOM 1559 CA LYS A 110 -1.966 -28.924 -10.301 1.00 5.32 C ATOM 1560 C LYS A 110 -3.415 -29.366 -10.124 1.00 43.12 C ATOM 1561 O LYS A 110 -4.059 -29.810 -11.075 1.00 43.31 O ATOM 1562 CB LYS A 110 -1.624 -27.839 -9.277 1.00 23.13 C ATOM 1563 CG LYS A 110 -0.164 -27.838 -8.856 1.00 33.21 C ATOM 1564 CD LYS A 110 0.367 -26.424 -8.690 1.00 23.42 C ATOM 1565 CE LYS A 110 -0.218 -25.750 -7.459 1.00 11.14 C ATOM 1566 NZ LYS A 110 -1.351 -24.848 -7.806 1.00 72.21 N ATOM 0 H LYS A 110 -1.776 -27.418 -11.747 1.00 2.22 H new ATOM 0 HA LYS A 110 -1.319 -29.786 -10.138 1.00 5.32 H new ATOM 0 HB2 LYS A 110 -1.873 -26.864 -9.696 1.00 23.13 H new ATOM 0 HB3 LYS A 110 -2.248 -27.975 -8.394 1.00 23.13 H new ATOM 0 HG2 LYS A 110 -0.055 -28.381 -7.917 1.00 33.21 H new ATOM 0 HG3 LYS A 110 0.431 -28.366 -9.601 1.00 33.21 H new ATOM 0 HD2 LYS A 110 1.454 -26.449 -8.610 1.00 23.42 H new ATOM 0 HD3 LYS A 110 0.126 -25.837 -9.576 1.00 23.42 H new ATOM 0 HE2 LYS A 110 -0.561 -26.510 -6.757 1.00 11.14 H new ATOM 0 HE3 LYS A 110 0.560 -25.178 -6.954 1.00 11.14 H new ATOM 0 HZ1 LYS A 110 -1.068 -23.859 -7.650 1.00 72.21 H new ATOM 0 HZ2 LYS A 110 -1.608 -24.982 -8.805 1.00 72.21 H new ATOM 0 HZ3 LYS A 110 -2.170 -25.072 -7.205 1.00 72.21 H new TER 1580 LYS A 110