USER MOD reduce.3.24.130724 H: found=0, std=0, add=770, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 655 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 25 LYS NZ :NH3+ -177:sc= 1.44 (180deg=1.19) USER MOD Set 1.2: A 27 THR OG1 : rot 149:sc= 0.805 USER MOD Set 2.1: A 20 ASN : amide:sc= 0.638 K(o=0.95,f=-5!) USER MOD Set 2.2: A 64 GLN : amide:sc= 0.313 K(o=0.95,f=-5) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.046) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.0751 USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.0653 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= 1.32 K(o=1.3,f=-1.6!) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 THR OG1 : rot 148:sc= 1.07 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0561) USER MOD Single : A 23 ASN : amide:sc= -4.48! K(o=-4.5!,f=-0.9) USER MOD Single : A 29 ASN : amide:sc= 0.553 K(o=0.55,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= -0.582 X(o=-0.58,f=-0.14) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -0.0112 X(o=-0.011,f=-0.015) USER MOD Single : A 38 THR OG1 : rot 180:sc=-0.00361 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot -60:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0432) USER MOD Single : A 57 MET CE :methyl 171:sc= -0.44 (180deg=-0.569) USER MOD Single : A 60 THR OG1 : rot 180:sc= -0.0148 USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.0839 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.0757 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 HIS : no HD1:sc= -0.73 X(o=-0.73,f=-0.86) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot 180:sc= -0.073 USER MOD Single : A 90 ASN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 94 GLN : amide:sc=-0.00421 X(o=-0.0042,f=0) USER MOD Single : A 99 GLN : amide:sc= -0.247 X(o=-0.25,f=-0.32) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -2.371 25.381 -4.167 1.00 43.25 N ATOM 2 CA GLY A 1 -0.980 25.822 -4.029 1.00 61.01 C ATOM 3 C GLY A 1 -0.903 27.340 -4.042 1.00 30.32 C ATOM 4 O GLY A 1 -1.408 27.977 -4.970 1.00 21.42 O ATOM 0 H1 GLY A 1 -2.408 24.342 -4.157 1.00 43.25 H new ATOM 0 H2 GLY A 1 -2.934 25.756 -3.377 1.00 43.25 H new ATOM 0 H3 GLY A 1 -2.759 25.732 -5.066 1.00 43.25 H new ATOM 0 HA2 GLY A 1 -0.560 25.438 -3.099 1.00 61.01 H new ATOM 0 HA3 GLY A 1 -0.380 25.414 -4.842 1.00 61.01 H new ATOM 8 N ALA A 2 -0.296 27.929 -3.006 1.00 65.01 N ATOM 9 CA ALA A 2 -0.348 29.350 -2.673 1.00 73.12 C ATOM 10 C ALA A 2 1.045 29.922 -2.357 1.00 1.51 C ATOM 11 O ALA A 2 1.157 30.743 -1.458 1.00 62.12 O ATOM 12 CB ALA A 2 -1.297 29.520 -1.473 1.00 74.13 C ATOM 0 H ALA A 2 0.272 27.398 -2.346 1.00 65.01 H new ATOM 0 HA ALA A 2 -0.717 29.908 -3.534 1.00 73.12 H new ATOM 0 HB1 ALA A 2 -1.355 30.574 -1.202 1.00 74.13 H new ATOM 0 HB2 ALA A 2 -2.290 29.159 -1.740 1.00 74.13 H new ATOM 0 HB3 ALA A 2 -0.919 28.948 -0.626 1.00 74.13 H new ATOM 18 N GLN A 3 2.102 29.448 -3.034 1.00 63.11 N ATOM 19 CA GLN A 3 3.530 29.550 -2.669 1.00 30.44 C ATOM 20 C GLN A 3 3.896 28.583 -1.540 1.00 11.12 C ATOM 21 O GLN A 3 5.080 28.299 -1.350 1.00 4.34 O ATOM 22 CB GLN A 3 4.022 30.975 -2.306 1.00 31.02 C ATOM 23 CG GLN A 3 4.119 31.947 -3.488 1.00 52.23 C ATOM 24 CD GLN A 3 5.561 32.049 -3.991 1.00 30.30 C ATOM 25 OE1 GLN A 3 6.383 32.778 -3.448 1.00 31.32 O ATOM 26 NE2 GLN A 3 5.919 31.307 -5.022 1.00 11.22 N ATOM 0 H GLN A 3 1.976 28.947 -3.914 1.00 63.11 H new ATOM 0 HA GLN A 3 4.049 29.274 -3.587 1.00 30.44 H new ATOM 0 HB2 GLN A 3 3.347 31.398 -1.562 1.00 31.02 H new ATOM 0 HB3 GLN A 3 5.003 30.896 -1.838 1.00 31.02 H new ATOM 0 HG2 GLN A 3 3.470 31.610 -4.296 1.00 52.23 H new ATOM 0 HG3 GLN A 3 3.764 32.932 -3.185 1.00 52.23 H new ATOM 0 HE21 GLN A 3 5.236 30.700 -5.475 1.00 11.22 H new ATOM 0 HE22 GLN A 3 6.879 31.341 -5.366 1.00 11.22 H new ATOM 33 N ASP A 4 2.925 27.988 -0.854 1.00 45.53 N ATOM 34 CA ASP A 4 3.146 27.049 0.221 1.00 63.22 C ATOM 35 C ASP A 4 1.958 26.112 0.152 1.00 65.23 C ATOM 36 O ASP A 4 0.837 26.476 0.508 1.00 52.43 O ATOM 37 CB ASP A 4 3.264 27.783 1.558 1.00 24.31 C ATOM 38 CG ASP A 4 3.623 26.832 2.692 1.00 72.33 C ATOM 39 OD1 ASP A 4 3.911 25.635 2.458 1.00 53.12 O ATOM 40 OD2 ASP A 4 3.632 27.282 3.857 1.00 1.41 O ATOM 0 H ASP A 4 1.937 28.156 -1.043 1.00 45.53 H new ATOM 0 HA ASP A 4 4.080 26.494 0.130 1.00 63.22 H new ATOM 0 HB2 ASP A 4 4.024 28.561 1.481 1.00 24.31 H new ATOM 0 HB3 ASP A 4 2.321 28.280 1.785 1.00 24.31 H new ATOM 44 N GLY A 5 2.147 24.988 -0.530 1.00 52.43 N ATOM 45 CA GLY A 5 1.062 24.171 -1.033 1.00 14.30 C ATOM 46 C GLY A 5 1.507 22.727 -1.060 1.00 71.12 C ATOM 47 O GLY A 5 1.945 22.229 -2.098 1.00 53.35 O ATOM 0 H GLY A 5 3.072 24.619 -0.749 1.00 52.43 H new ATOM 0 HA2 GLY A 5 0.182 24.282 -0.400 1.00 14.30 H new ATOM 0 HA3 GLY A 5 0.778 24.496 -2.034 1.00 14.30 H new ATOM 51 N LYS A 6 1.503 22.082 0.105 1.00 25.01 N ATOM 52 CA LYS A 6 2.107 20.768 0.288 1.00 51.45 C ATOM 53 C LYS A 6 1.213 19.828 1.077 1.00 33.42 C ATOM 54 O LYS A 6 1.693 18.874 1.693 1.00 52.24 O ATOM 55 CB LYS A 6 3.479 20.937 0.956 1.00 63.05 C ATOM 56 CG LYS A 6 4.459 21.861 0.214 1.00 72.24 C ATOM 57 CD LYS A 6 5.915 21.482 0.507 1.00 54.22 C ATOM 58 CE LYS A 6 6.333 20.132 -0.093 1.00 4.22 C ATOM 59 NZ LYS A 6 6.302 20.122 -1.567 1.00 43.15 N ATOM 0 H LYS A 6 1.078 22.460 0.952 1.00 25.01 H new ATOM 0 HA LYS A 6 2.236 20.305 -0.690 1.00 51.45 H new ATOM 0 HB2 LYS A 6 3.329 21.326 1.963 1.00 63.05 H new ATOM 0 HB3 LYS A 6 3.939 19.954 1.059 1.00 63.05 H new ATOM 0 HG2 LYS A 6 4.275 21.803 -0.859 1.00 72.24 H new ATOM 0 HG3 LYS A 6 4.283 22.895 0.512 1.00 72.24 H new ATOM 0 HD2 LYS A 6 6.570 22.261 0.117 1.00 54.22 H new ATOM 0 HD3 LYS A 6 6.063 21.452 1.586 1.00 54.22 H new ATOM 0 HE2 LYS A 6 7.340 19.886 0.245 1.00 4.22 H new ATOM 0 HE3 LYS A 6 5.671 19.353 0.284 1.00 4.22 H new ATOM 0 HZ1 LYS A 6 6.705 19.229 -1.917 1.00 43.15 H new ATOM 0 HZ2 LYS A 6 5.319 20.210 -1.894 1.00 43.15 H new ATOM 0 HZ3 LYS A 6 6.860 20.920 -1.931 1.00 43.15 H new ATOM 69 N GLU A 7 -0.087 20.066 1.058 1.00 21.13 N ATOM 70 CA GLU A 7 -1.067 19.282 1.803 1.00 65.42 C ATOM 71 C GLU A 7 -1.507 18.103 0.939 1.00 34.11 C ATOM 72 O GLU A 7 -2.669 17.964 0.561 1.00 1.22 O ATOM 73 CB GLU A 7 -2.227 20.169 2.264 1.00 64.13 C ATOM 74 CG GLU A 7 -1.685 21.344 3.084 1.00 52.21 C ATOM 75 CD GLU A 7 -2.739 22.093 3.885 1.00 64.11 C ATOM 76 OE1 GLU A 7 -3.057 21.649 5.011 1.00 30.43 O ATOM 77 OE2 GLU A 7 -3.166 23.169 3.414 1.00 62.04 O ATOM 0 H GLU A 7 -0.503 20.823 0.515 1.00 21.13 H new ATOM 0 HA GLU A 7 -0.627 18.878 2.715 1.00 65.42 H new ATOM 0 HB2 GLU A 7 -2.779 20.540 1.400 1.00 64.13 H new ATOM 0 HB3 GLU A 7 -2.927 19.587 2.864 1.00 64.13 H new ATOM 0 HG2 GLU A 7 -0.923 20.972 3.769 1.00 52.21 H new ATOM 0 HG3 GLU A 7 -1.193 22.045 2.410 1.00 52.21 H new ATOM 82 N THR A 8 -0.530 17.292 0.570 1.00 32.43 N ATOM 83 CA THR A 8 -0.670 15.993 -0.065 1.00 45.43 C ATOM 84 C THR A 8 -0.868 14.894 0.977 1.00 32.10 C ATOM 85 O THR A 8 -0.726 15.110 2.187 1.00 30.40 O ATOM 86 CB THR A 8 0.590 15.714 -0.907 1.00 3.30 C ATOM 87 OG1 THR A 8 1.769 16.186 -0.270 1.00 45.43 O ATOM 88 CG2 THR A 8 0.484 16.418 -2.261 1.00 43.32 C ATOM 0 H THR A 8 0.448 17.541 0.716 1.00 32.43 H new ATOM 0 HA THR A 8 -1.550 16.000 -0.708 1.00 45.43 H new ATOM 0 HB THR A 8 0.653 14.633 -1.029 1.00 3.30 H new ATOM 0 HG1 THR A 8 2.546 15.989 -0.833 1.00 45.43 H new ATOM 0 HG21 THR A 8 1.380 16.214 -2.848 1.00 43.32 H new ATOM 0 HG22 THR A 8 -0.392 16.049 -2.795 1.00 43.32 H new ATOM 0 HG23 THR A 8 0.389 17.493 -2.106 1.00 43.32 H new ATOM 96 N THR A 9 -1.161 13.697 0.482 1.00 41.15 N ATOM 97 CA THR A 9 -1.069 12.474 1.250 1.00 4.12 C ATOM 98 C THR A 9 0.327 11.867 1.082 1.00 11.43 C ATOM 99 O THR A 9 1.091 12.287 0.207 1.00 51.35 O ATOM 100 CB THR A 9 -2.229 11.543 0.853 1.00 61.32 C ATOM 101 OG1 THR A 9 -2.681 11.688 -0.492 1.00 45.14 O ATOM 102 CG2 THR A 9 -3.395 11.849 1.781 1.00 30.04 C ATOM 0 H THR A 9 -1.473 13.553 -0.478 1.00 41.15 H new ATOM 0 HA THR A 9 -1.181 12.659 2.318 1.00 4.12 H new ATOM 0 HB THR A 9 -1.858 10.522 0.938 1.00 61.32 H new ATOM 0 HG1 THR A 9 -3.415 11.061 -0.660 1.00 45.14 H new ATOM 0 HG21 THR A 9 -4.239 11.206 1.529 1.00 30.04 H new ATOM 0 HG22 THR A 9 -3.096 11.667 2.813 1.00 30.04 H new ATOM 0 HG23 THR A 9 -3.687 12.893 1.666 1.00 30.04 H new ATOM 110 N THR A 10 0.666 10.898 1.932 1.00 3.50 N ATOM 111 CA THR A 10 1.888 10.120 1.810 1.00 1.10 C ATOM 112 C THR A 10 1.552 8.682 2.202 1.00 54.14 C ATOM 113 O THR A 10 0.867 8.455 3.210 1.00 32.42 O ATOM 114 CB THR A 10 3.003 10.692 2.704 1.00 31.24 C ATOM 115 OG1 THR A 10 3.025 12.114 2.681 1.00 74.13 O ATOM 116 CG2 THR A 10 4.387 10.151 2.308 1.00 74.01 C ATOM 0 H THR A 10 0.091 10.632 2.731 1.00 3.50 H new ATOM 0 HA THR A 10 2.261 10.158 0.787 1.00 1.10 H new ATOM 0 HB THR A 10 2.776 10.364 3.718 1.00 31.24 H new ATOM 0 HG1 THR A 10 3.745 12.439 3.261 1.00 74.13 H new ATOM 0 HG21 THR A 10 5.146 10.579 2.963 1.00 74.01 H new ATOM 0 HG22 THR A 10 4.395 9.065 2.405 1.00 74.01 H new ATOM 0 HG23 THR A 10 4.603 10.425 1.275 1.00 74.01 H new ATOM 124 N ILE A 11 2.032 7.714 1.426 1.00 11.30 N ATOM 125 CA ILE A 11 1.732 6.301 1.593 1.00 65.15 C ATOM 126 C ILE A 11 3.054 5.585 1.856 1.00 52.54 C ATOM 127 O ILE A 11 4.077 5.946 1.280 1.00 52.52 O ATOM 128 CB ILE A 11 1.021 5.764 0.337 1.00 23.04 C ATOM 129 CG1 ILE A 11 -0.282 6.518 -0.005 1.00 22.24 C ATOM 130 CG2 ILE A 11 0.690 4.269 0.490 1.00 21.30 C ATOM 131 CD1 ILE A 11 -0.554 6.428 -1.507 1.00 62.14 C ATOM 0 H ILE A 11 2.658 7.900 0.642 1.00 11.30 H new ATOM 0 HA ILE A 11 1.057 6.131 2.431 1.00 65.15 H new ATOM 0 HB ILE A 11 1.725 5.922 -0.480 1.00 23.04 H new ATOM 0 HG12 ILE A 11 -1.117 6.091 0.551 1.00 22.24 H new ATOM 0 HG13 ILE A 11 -0.199 7.562 0.297 1.00 22.24 H new ATOM 0 HG21 ILE A 11 0.188 3.913 -0.410 1.00 21.30 H new ATOM 0 HG22 ILE A 11 1.611 3.706 0.638 1.00 21.30 H new ATOM 0 HG23 ILE A 11 0.036 4.127 1.350 1.00 21.30 H new ATOM 0 HD11 ILE A 11 -1.475 6.962 -1.743 1.00 62.14 H new ATOM 0 HD12 ILE A 11 0.275 6.876 -2.054 1.00 62.14 H new ATOM 0 HD13 ILE A 11 -0.657 5.382 -1.796 1.00 62.14 H new ATOM 142 N ARG A 12 3.036 4.547 2.696 1.00 14.23 N ATOM 143 CA ARG A 12 4.240 3.848 3.136 1.00 64.31 C ATOM 144 C ARG A 12 3.983 2.352 3.095 1.00 44.44 C ATOM 145 O ARG A 12 2.990 1.890 3.661 1.00 54.11 O ATOM 146 CB ARG A 12 4.601 4.388 4.523 1.00 34.04 C ATOM 147 CG ARG A 12 6.068 4.249 4.956 1.00 52.41 C ATOM 148 CD ARG A 12 6.235 3.317 6.153 1.00 10.14 C ATOM 149 NE ARG A 12 7.390 3.663 6.984 1.00 52.03 N ATOM 150 CZ ARG A 12 7.420 4.580 7.953 1.00 54.02 C ATOM 151 NH1 ARG A 12 6.472 5.511 8.079 1.00 21.20 N ATOM 152 NH2 ARG A 12 8.407 4.541 8.831 1.00 25.11 N ATOM 0 H ARG A 12 2.176 4.167 3.092 1.00 14.23 H new ATOM 0 HA ARG A 12 5.096 4.022 2.484 1.00 64.31 H new ATOM 0 HB2 ARG A 12 4.335 5.444 4.557 1.00 34.04 H new ATOM 0 HB3 ARG A 12 3.979 3.879 5.259 1.00 34.04 H new ATOM 0 HG2 ARG A 12 6.657 3.871 4.120 1.00 52.41 H new ATOM 0 HG3 ARG A 12 6.465 5.233 5.207 1.00 52.41 H new ATOM 0 HD2 ARG A 12 5.332 3.350 6.762 1.00 10.14 H new ATOM 0 HD3 ARG A 12 6.343 2.292 5.798 1.00 10.14 H new ATOM 0 HE ARG A 12 8.255 3.154 6.805 1.00 52.03 H new ATOM 0 HH11 ARG A 12 5.692 5.537 7.422 1.00 21.20 H new ATOM 0 HH12 ARG A 12 6.527 6.197 8.832 1.00 21.20 H new ATOM 0 HH21 ARG A 12 9.125 3.820 8.759 1.00 25.11 H new ATOM 0 HH22 ARG A 12 8.451 5.232 9.580 1.00 25.11 H new ATOM 163 N LEU A 13 4.806 1.605 2.366 1.00 2.22 N ATOM 164 CA LEU A 13 4.552 0.201 2.005 1.00 33.03 C ATOM 165 C LEU A 13 5.542 -0.730 2.689 1.00 10.41 C ATOM 166 O LEU A 13 6.718 -0.729 2.320 1.00 63.33 O ATOM 167 CB LEU A 13 4.668 0.040 0.482 1.00 52.41 C ATOM 168 CG LEU A 13 3.359 0.063 -0.307 1.00 44.21 C ATOM 169 CD1 LEU A 13 2.640 -1.278 -0.156 1.00 72.05 C ATOM 170 CD2 LEU A 13 2.466 1.233 0.104 1.00 65.12 C ATOM 0 H LEU A 13 5.689 1.960 1.998 1.00 2.22 H new ATOM 0 HA LEU A 13 3.548 -0.064 2.336 1.00 33.03 H new ATOM 0 HB2 LEU A 13 5.309 0.836 0.103 1.00 52.41 H new ATOM 0 HB3 LEU A 13 5.174 -0.903 0.276 1.00 52.41 H new ATOM 0 HG LEU A 13 3.595 0.214 -1.360 1.00 44.21 H new ATOM 0 HD11 LEU A 13 1.708 -1.256 -0.720 1.00 72.05 H new ATOM 0 HD12 LEU A 13 3.276 -2.077 -0.537 1.00 72.05 H new ATOM 0 HD13 LEU A 13 2.423 -1.458 0.897 1.00 72.05 H new ATOM 0 HD21 LEU A 13 1.546 1.212 -0.481 1.00 65.12 H new ATOM 0 HD22 LEU A 13 2.224 1.151 1.164 1.00 65.12 H new ATOM 0 HD23 LEU A 13 2.990 2.172 -0.077 1.00 65.12 H new ATOM 181 N ILE A 14 5.121 -1.453 3.725 1.00 43.14 N ATOM 182 CA ILE A 14 5.975 -2.316 4.535 1.00 51.14 C ATOM 183 C ILE A 14 5.721 -3.777 4.138 1.00 62.25 C ATOM 184 O ILE A 14 4.572 -4.235 4.096 1.00 14.44 O ATOM 185 CB ILE A 14 5.715 -2.095 6.042 1.00 23.11 C ATOM 186 CG1 ILE A 14 5.784 -0.627 6.531 1.00 12.10 C ATOM 187 CG2 ILE A 14 6.770 -2.851 6.862 1.00 44.13 C ATOM 188 CD1 ILE A 14 4.546 0.229 6.233 1.00 13.32 C ATOM 0 H ILE A 14 4.148 -1.454 4.032 1.00 43.14 H new ATOM 0 HA ILE A 14 7.020 -2.069 4.351 1.00 51.14 H new ATOM 0 HB ILE A 14 4.694 -2.449 6.184 1.00 23.11 H new ATOM 0 HG12 ILE A 14 5.952 -0.629 7.608 1.00 12.10 H new ATOM 0 HG13 ILE A 14 6.652 -0.151 6.074 1.00 12.10 H new ATOM 0 HG21 ILE A 14 6.586 -2.694 7.925 1.00 44.13 H new ATOM 0 HG22 ILE A 14 6.712 -3.916 6.637 1.00 44.13 H new ATOM 0 HG23 ILE A 14 7.763 -2.480 6.608 1.00 44.13 H new ATOM 0 HD11 ILE A 14 4.700 1.237 6.617 1.00 13.32 H new ATOM 0 HD12 ILE A 14 4.384 0.272 5.156 1.00 13.32 H new ATOM 0 HD13 ILE A 14 3.673 -0.213 6.714 1.00 13.32 H new ATOM 199 N ASN A 15 6.802 -4.521 3.886 1.00 62.33 N ATOM 200 CA ASN A 15 6.755 -5.893 3.387 1.00 4.00 C ATOM 201 C ASN A 15 6.940 -6.917 4.518 1.00 51.11 C ATOM 202 O ASN A 15 8.001 -7.534 4.632 1.00 62.52 O ATOM 203 CB ASN A 15 7.833 -6.066 2.303 1.00 52.02 C ATOM 204 CG ASN A 15 7.597 -7.349 1.513 1.00 3.43 C ATOM 205 OD1 ASN A 15 6.520 -7.568 0.976 1.00 23.32 O ATOM 206 ND2 ASN A 15 8.591 -8.210 1.423 1.00 64.32 N ATOM 0 H ASN A 15 7.752 -4.177 4.027 1.00 62.33 H new ATOM 0 HA ASN A 15 5.771 -6.078 2.957 1.00 4.00 H new ATOM 0 HB2 ASN A 15 7.820 -5.210 1.629 1.00 52.02 H new ATOM 0 HB3 ASN A 15 8.820 -6.093 2.765 1.00 52.02 H new ATOM 0 HD21 ASN A 15 8.469 -9.076 0.899 1.00 64.32 H new ATOM 0 HD22 ASN A 15 9.482 -8.010 1.878 1.00 64.32 H new ATOM 212 N GLN A 16 5.961 -7.066 5.414 1.00 41.32 N ATOM 213 CA GLN A 16 6.121 -7.806 6.673 1.00 14.03 C ATOM 214 C GLN A 16 5.829 -9.298 6.467 1.00 63.54 C ATOM 215 O GLN A 16 4.965 -9.869 7.135 1.00 12.32 O ATOM 216 CB GLN A 16 5.257 -7.167 7.783 1.00 10.30 C ATOM 217 CG GLN A 16 5.523 -5.660 7.899 1.00 31.14 C ATOM 218 CD GLN A 16 4.836 -4.990 9.073 1.00 72.23 C ATOM 219 OE1 GLN A 16 5.441 -4.249 9.853 1.00 72.33 O ATOM 220 NE2 GLN A 16 3.538 -5.157 9.177 1.00 23.20 N ATOM 0 H GLN A 16 5.028 -6.675 5.287 1.00 41.32 H new ATOM 0 HA GLN A 16 7.158 -7.739 7.002 1.00 14.03 H new ATOM 0 HB2 GLN A 16 4.202 -7.337 7.568 1.00 10.30 H new ATOM 0 HB3 GLN A 16 5.470 -7.650 8.736 1.00 10.30 H new ATOM 0 HG2 GLN A 16 6.598 -5.499 7.983 1.00 31.14 H new ATOM 0 HG3 GLN A 16 5.198 -5.174 6.979 1.00 31.14 H new ATOM 0 HE21 GLN A 16 3.049 -5.772 8.526 1.00 23.20 H new ATOM 0 HE22 GLN A 16 3.018 -4.672 9.908 1.00 23.20 H new ATOM 227 N THR A 17 6.546 -9.922 5.531 1.00 64.31 N ATOM 228 CA THR A 17 6.208 -11.222 4.960 1.00 61.32 C ATOM 229 C THR A 17 7.455 -12.086 4.732 1.00 70.25 C ATOM 230 O THR A 17 8.582 -11.586 4.672 1.00 34.22 O ATOM 231 CB THR A 17 5.451 -10.991 3.635 1.00 31.34 C ATOM 232 OG1 THR A 17 5.890 -9.819 2.966 1.00 23.50 O ATOM 233 CG2 THR A 17 3.962 -10.825 3.902 1.00 43.25 C ATOM 0 H THR A 17 7.400 -9.524 5.140 1.00 64.31 H new ATOM 0 HA THR A 17 5.576 -11.766 5.662 1.00 61.32 H new ATOM 0 HB THR A 17 5.649 -11.862 3.011 1.00 31.34 H new ATOM 0 HG1 THR A 17 5.814 -9.947 1.997 1.00 23.50 H new ATOM 0 HG21 THR A 17 3.439 -10.663 2.959 1.00 43.25 H new ATOM 0 HG22 THR A 17 3.576 -11.725 4.381 1.00 43.25 H new ATOM 0 HG23 THR A 17 3.803 -9.968 4.557 1.00 43.25 H new ATOM 241 N TYR A 18 7.251 -13.391 4.518 1.00 4.14 N ATOM 242 CA TYR A 18 8.293 -14.403 4.313 1.00 61.21 C ATOM 243 C TYR A 18 8.940 -14.385 2.921 1.00 54.13 C ATOM 244 O TYR A 18 9.695 -15.307 2.588 1.00 54.32 O ATOM 245 CB TYR A 18 7.729 -15.802 4.614 1.00 45.44 C ATOM 246 CG TYR A 18 6.967 -16.531 3.512 1.00 73.25 C ATOM 247 CD1 TYR A 18 6.006 -15.872 2.726 1.00 51.23 C ATOM 248 CD2 TYR A 18 7.178 -17.908 3.312 1.00 51.31 C ATOM 249 CE1 TYR A 18 5.166 -16.607 1.870 1.00 43.03 C ATOM 250 CE2 TYR A 18 6.414 -18.630 2.381 1.00 42.42 C ATOM 251 CZ TYR A 18 5.392 -17.985 1.659 1.00 24.14 C ATOM 252 OH TYR A 18 4.597 -18.711 0.832 1.00 64.24 O ATOM 0 H TYR A 18 6.312 -13.788 4.481 1.00 4.14 H new ATOM 0 HA TYR A 18 9.092 -14.149 5.010 1.00 61.21 H new ATOM 0 HB2 TYR A 18 8.561 -16.437 4.918 1.00 45.44 H new ATOM 0 HB3 TYR A 18 7.065 -15.714 5.474 1.00 45.44 H new ATOM 0 HD1 TYR A 18 5.912 -14.797 2.779 1.00 51.23 H new ATOM 0 HD2 TYR A 18 7.940 -18.417 3.884 1.00 51.31 H new ATOM 0 HE1 TYR A 18 4.344 -16.115 1.372 1.00 43.03 H new ATOM 0 HE2 TYR A 18 6.610 -19.680 2.219 1.00 42.42 H new ATOM 0 HH TYR A 18 4.908 -19.640 0.812 1.00 64.24 H new ATOM 261 N PHE A 19 8.617 -13.390 2.089 1.00 22.33 N ATOM 262 CA PHE A 19 9.056 -13.321 0.707 1.00 25.42 C ATOM 263 C PHE A 19 9.602 -11.935 0.375 1.00 50.32 C ATOM 264 O PHE A 19 9.439 -10.982 1.133 1.00 21.32 O ATOM 265 CB PHE A 19 7.942 -13.728 -0.270 1.00 34.40 C ATOM 266 CG PHE A 19 6.629 -12.991 -0.111 1.00 10.02 C ATOM 267 CD1 PHE A 19 6.530 -11.586 -0.167 1.00 70.41 C ATOM 268 CD2 PHE A 19 5.485 -13.749 0.154 1.00 22.33 C ATOM 269 CE1 PHE A 19 5.305 -10.955 0.097 1.00 52.32 C ATOM 270 CE2 PHE A 19 4.282 -13.118 0.482 1.00 45.31 C ATOM 271 CZ PHE A 19 4.182 -11.724 0.436 1.00 33.11 C ATOM 0 H PHE A 19 8.034 -12.601 2.369 1.00 22.33 H new ATOM 0 HA PHE A 19 9.865 -14.041 0.588 1.00 25.42 H new ATOM 0 HB2 PHE A 19 8.302 -13.576 -1.287 1.00 34.40 H new ATOM 0 HB3 PHE A 19 7.755 -14.796 -0.155 1.00 34.40 H new ATOM 0 HD1 PHE A 19 7.399 -10.994 -0.414 1.00 70.41 H new ATOM 0 HD2 PHE A 19 5.531 -14.827 0.105 1.00 22.33 H new ATOM 0 HE1 PHE A 19 5.227 -9.879 0.039 1.00 52.32 H new ATOM 0 HE2 PHE A 19 3.426 -13.709 0.772 1.00 45.31 H new ATOM 0 HZ PHE A 19 3.243 -11.241 0.661 1.00 33.11 H new ATOM 280 N ASN A 20 10.144 -11.809 -0.834 1.00 74.45 N ATOM 281 CA ASN A 20 10.435 -10.558 -1.531 1.00 4.44 C ATOM 282 C ASN A 20 9.322 -10.268 -2.548 1.00 43.13 C ATOM 283 O ASN A 20 8.638 -11.199 -2.987 1.00 21.11 O ATOM 284 CB ASN A 20 11.778 -10.767 -2.237 1.00 51.24 C ATOM 285 CG ASN A 20 12.126 -9.666 -3.224 1.00 71.12 C ATOM 286 OD1 ASN A 20 12.362 -8.540 -2.829 1.00 21.11 O ATOM 287 ND2 ASN A 20 12.223 -9.967 -4.508 1.00 11.00 N ATOM 0 H ASN A 20 10.407 -12.625 -1.386 1.00 74.45 H new ATOM 0 HA ASN A 20 10.485 -9.710 -0.849 1.00 4.44 H new ATOM 0 HB2 ASN A 20 12.566 -10.833 -1.487 1.00 51.24 H new ATOM 0 HB3 ASN A 20 11.757 -11.721 -2.763 1.00 51.24 H new ATOM 0 HD21 ASN A 20 12.499 -9.251 -5.180 1.00 11.00 H new ATOM 0 HD22 ASN A 20 12.022 -10.915 -4.826 1.00 11.00 H new ATOM 293 N VAL A 21 9.149 -9.012 -2.963 1.00 12.54 N ATOM 294 CA VAL A 21 8.191 -8.583 -3.989 1.00 14.11 C ATOM 295 C VAL A 21 8.848 -7.514 -4.872 1.00 70.33 C ATOM 296 O VAL A 21 9.657 -6.733 -4.391 1.00 23.01 O ATOM 297 CB VAL A 21 6.902 -8.030 -3.352 1.00 73.11 C ATOM 298 CG1 VAL A 21 5.974 -9.105 -2.797 1.00 72.21 C ATOM 299 CG2 VAL A 21 7.184 -7.048 -2.214 1.00 14.11 C ATOM 0 H VAL A 21 9.690 -8.236 -2.582 1.00 12.54 H new ATOM 0 HA VAL A 21 7.915 -9.446 -4.596 1.00 14.11 H new ATOM 0 HB VAL A 21 6.409 -7.525 -4.183 1.00 73.11 H new ATOM 0 HG11 VAL A 21 5.090 -8.635 -2.366 1.00 72.21 H new ATOM 0 HG12 VAL A 21 5.673 -9.776 -3.601 1.00 72.21 H new ATOM 0 HG13 VAL A 21 6.495 -9.673 -2.026 1.00 72.21 H new ATOM 0 HG21 VAL A 21 6.241 -6.689 -1.801 1.00 14.11 H new ATOM 0 HG22 VAL A 21 7.755 -7.550 -1.433 1.00 14.11 H new ATOM 0 HG23 VAL A 21 7.758 -6.203 -2.596 1.00 14.11 H new ATOM 309 N LYS A 22 8.502 -7.458 -6.163 1.00 44.42 N ATOM 310 CA LYS A 22 9.298 -6.766 -7.199 1.00 2.22 C ATOM 311 C LYS A 22 8.452 -6.138 -8.314 1.00 62.14 C ATOM 312 O LYS A 22 8.896 -6.018 -9.455 1.00 13.20 O ATOM 313 CB LYS A 22 10.286 -7.779 -7.793 1.00 31.22 C ATOM 314 CG LYS A 22 9.560 -9.016 -8.355 1.00 1.11 C ATOM 315 CD LYS A 22 9.678 -10.207 -7.391 1.00 30.24 C ATOM 316 CE LYS A 22 8.767 -11.317 -7.880 1.00 41.13 C ATOM 317 NZ LYS A 22 9.261 -11.918 -9.134 1.00 52.42 N ATOM 0 H LYS A 22 7.655 -7.894 -6.528 1.00 44.42 H new ATOM 0 HA LYS A 22 9.814 -5.934 -6.721 1.00 2.22 H new ATOM 0 HB2 LYS A 22 10.863 -7.303 -8.586 1.00 31.22 H new ATOM 0 HB3 LYS A 22 10.995 -8.090 -7.026 1.00 31.22 H new ATOM 0 HG2 LYS A 22 8.509 -8.781 -8.522 1.00 1.11 H new ATOM 0 HG3 LYS A 22 9.984 -9.283 -9.323 1.00 1.11 H new ATOM 0 HD2 LYS A 22 10.709 -10.556 -7.346 1.00 30.24 H new ATOM 0 HD3 LYS A 22 9.399 -9.906 -6.381 1.00 30.24 H new ATOM 0 HE2 LYS A 22 8.689 -12.088 -7.113 1.00 41.13 H new ATOM 0 HE3 LYS A 22 7.764 -10.921 -8.037 1.00 41.13 H new ATOM 0 HZ1 LYS A 22 8.681 -12.747 -9.374 1.00 52.42 H new ATOM 0 HZ2 LYS A 22 9.200 -11.219 -9.902 1.00 52.42 H new ATOM 0 HZ3 LYS A 22 10.251 -12.212 -9.012 1.00 52.42 H new ATOM 327 N ASN A 23 7.180 -5.860 -8.031 1.00 73.12 N ATOM 328 CA ASN A 23 6.224 -5.279 -8.975 1.00 70.35 C ATOM 329 C ASN A 23 4.947 -4.814 -8.262 1.00 12.21 C ATOM 330 O ASN A 23 3.833 -5.114 -8.704 1.00 71.32 O ATOM 331 CB ASN A 23 5.872 -6.250 -10.126 1.00 54.14 C ATOM 332 CG ASN A 23 5.218 -7.577 -9.758 1.00 10.53 C ATOM 333 OD1 ASN A 23 4.526 -8.174 -10.580 1.00 21.03 O ATOM 334 ND2 ASN A 23 5.449 -8.089 -8.562 1.00 72.11 N ATOM 0 H ASN A 23 6.774 -6.038 -7.112 1.00 73.12 H new ATOM 0 HA ASN A 23 6.714 -4.410 -9.415 1.00 70.35 H new ATOM 0 HB2 ASN A 23 5.207 -5.728 -10.814 1.00 54.14 H new ATOM 0 HB3 ASN A 23 6.789 -6.468 -10.673 1.00 54.14 H new ATOM 0 HD21 ASN A 23 5.051 -8.993 -8.309 1.00 72.11 H new ATOM 0 HD22 ASN A 23 6.026 -7.580 -7.892 1.00 72.11 H new ATOM 340 N ILE A 24 5.079 -4.150 -7.112 1.00 3.44 N ATOM 341 CA ILE A 24 3.915 -3.637 -6.410 1.00 50.54 C ATOM 342 C ILE A 24 3.447 -2.337 -7.084 1.00 73.31 C ATOM 343 O ILE A 24 4.179 -1.346 -7.130 1.00 41.35 O ATOM 344 CB ILE A 24 4.170 -3.433 -4.903 1.00 13.24 C ATOM 345 CG1 ILE A 24 4.922 -4.593 -4.210 1.00 13.31 C ATOM 346 CG2 ILE A 24 2.812 -3.273 -4.209 1.00 64.35 C ATOM 347 CD1 ILE A 24 6.437 -4.377 -4.146 1.00 10.10 C ATOM 0 H ILE A 24 5.971 -3.960 -6.656 1.00 3.44 H new ATOM 0 HA ILE A 24 3.124 -4.384 -6.477 1.00 50.54 H new ATOM 0 HB ILE A 24 4.808 -2.554 -4.816 1.00 13.24 H new ATOM 0 HG12 ILE A 24 4.536 -4.715 -3.198 1.00 13.31 H new ATOM 0 HG13 ILE A 24 4.716 -5.521 -4.743 1.00 13.31 H new ATOM 0 HG21 ILE A 24 2.965 -3.127 -3.140 1.00 64.35 H new ATOM 0 HG22 ILE A 24 2.292 -2.409 -4.622 1.00 64.35 H new ATOM 0 HG23 ILE A 24 2.213 -4.169 -4.371 1.00 64.35 H new ATOM 0 HD11 ILE A 24 6.905 -5.226 -3.648 1.00 10.10 H new ATOM 0 HD12 ILE A 24 6.834 -4.285 -5.157 1.00 10.10 H new ATOM 0 HD13 ILE A 24 6.651 -3.466 -3.587 1.00 10.10 H new ATOM 358 N LYS A 25 2.222 -2.352 -7.600 1.00 70.14 N ATOM 359 CA LYS A 25 1.393 -1.226 -8.012 1.00 33.32 C ATOM 360 C LYS A 25 0.621 -0.726 -6.780 1.00 5.52 C ATOM 361 O LYS A 25 0.122 -1.540 -5.994 1.00 51.13 O ATOM 362 CB LYS A 25 0.408 -1.763 -9.080 1.00 1.43 C ATOM 363 CG LYS A 25 0.232 -0.933 -10.361 1.00 1.12 C ATOM 364 CD LYS A 25 -0.278 0.495 -10.141 1.00 25.02 C ATOM 365 CE LYS A 25 -1.680 0.555 -9.516 1.00 10.41 C ATOM 366 NZ LYS A 25 -2.772 0.462 -10.509 1.00 65.25 N ATOM 0 H LYS A 25 1.740 -3.237 -7.755 1.00 70.14 H new ATOM 0 HA LYS A 25 1.982 -0.405 -8.420 1.00 33.32 H new ATOM 0 HB2 LYS A 25 0.736 -2.762 -9.368 1.00 1.43 H new ATOM 0 HB3 LYS A 25 -0.570 -1.871 -8.612 1.00 1.43 H new ATOM 0 HG2 LYS A 25 1.190 -0.885 -10.880 1.00 1.12 H new ATOM 0 HG3 LYS A 25 -0.462 -1.453 -11.021 1.00 1.12 H new ATOM 0 HD2 LYS A 25 0.422 1.027 -9.496 1.00 25.02 H new ATOM 0 HD3 LYS A 25 -0.292 1.019 -11.097 1.00 25.02 H new ATOM 0 HE2 LYS A 25 -1.784 -0.257 -8.796 1.00 10.41 H new ATOM 0 HE3 LYS A 25 -1.782 1.488 -8.961 1.00 10.41 H new ATOM 0 HZ1 LYS A 25 -3.689 0.560 -10.027 1.00 65.25 H new ATOM 0 HZ2 LYS A 25 -2.668 1.221 -11.212 1.00 65.25 H new ATOM 0 HZ3 LYS A 25 -2.729 -0.461 -10.987 1.00 65.25 H new ATOM 376 N VAL A 26 0.462 0.590 -6.637 1.00 44.31 N ATOM 377 CA VAL A 26 -0.243 1.219 -5.517 1.00 72.02 C ATOM 378 C VAL A 26 -1.166 2.300 -6.097 1.00 70.01 C ATOM 379 O VAL A 26 -0.623 3.223 -6.688 1.00 52.23 O ATOM 380 CB VAL A 26 0.785 1.872 -4.563 1.00 63.23 C ATOM 381 CG1 VAL A 26 0.072 2.309 -3.275 1.00 71.34 C ATOM 382 CG2 VAL A 26 2.000 0.971 -4.283 1.00 5.31 C ATOM 0 H VAL A 26 0.827 1.264 -7.310 1.00 44.31 H new ATOM 0 HA VAL A 26 -0.820 0.481 -4.960 1.00 72.02 H new ATOM 0 HB VAL A 26 1.198 2.753 -5.055 1.00 63.23 H new ATOM 0 HG11 VAL A 26 0.792 2.770 -2.599 1.00 71.34 H new ATOM 0 HG12 VAL A 26 -0.710 3.029 -3.518 1.00 71.34 H new ATOM 0 HG13 VAL A 26 -0.373 1.439 -2.792 1.00 71.34 H new ATOM 0 HG21 VAL A 26 2.685 1.484 -3.608 1.00 5.31 H new ATOM 0 HG22 VAL A 26 1.665 0.041 -3.823 1.00 5.31 H new ATOM 0 HG23 VAL A 26 2.512 0.749 -5.219 1.00 5.31 H new ATOM 392 N THR A 27 -2.491 2.245 -5.928 1.00 41.24 N ATOM 393 CA THR A 27 -3.463 3.250 -6.388 1.00 62.23 C ATOM 394 C THR A 27 -4.228 3.819 -5.176 1.00 61.14 C ATOM 395 O THR A 27 -4.519 3.077 -4.237 1.00 64.11 O ATOM 396 CB THR A 27 -4.477 2.610 -7.368 1.00 2.42 C ATOM 397 OG1 THR A 27 -4.001 1.455 -8.028 1.00 25.21 O ATOM 398 CG2 THR A 27 -4.961 3.580 -8.446 1.00 33.43 C ATOM 0 H THR A 27 -2.938 1.465 -5.446 1.00 41.24 H new ATOM 0 HA THR A 27 -2.925 4.048 -6.899 1.00 62.23 H new ATOM 0 HB THR A 27 -5.300 2.329 -6.711 1.00 2.42 H new ATOM 0 HG1 THR A 27 -4.749 0.847 -8.204 1.00 25.21 H new ATOM 0 HG21 THR A 27 -5.669 3.072 -9.101 1.00 33.43 H new ATOM 0 HG22 THR A 27 -5.450 4.433 -7.975 1.00 33.43 H new ATOM 0 HG23 THR A 27 -4.110 3.927 -9.032 1.00 33.43 H new ATOM 406 N TRP A 28 -4.594 5.107 -5.174 1.00 12.24 N ATOM 407 CA TRP A 28 -5.240 5.782 -4.027 1.00 1.22 C ATOM 408 C TRP A 28 -6.260 6.839 -4.460 1.00 14.51 C ATOM 409 O TRP A 28 -6.546 7.803 -3.746 1.00 1.13 O ATOM 410 CB TRP A 28 -4.152 6.399 -3.143 1.00 4.13 C ATOM 411 CG TRP A 28 -3.266 7.387 -3.821 1.00 24.33 C ATOM 412 CD1 TRP A 28 -3.456 8.723 -3.862 1.00 11.54 C ATOM 413 CD2 TRP A 28 -2.003 7.125 -4.480 1.00 65.13 C ATOM 414 NE1 TRP A 28 -2.408 9.306 -4.550 1.00 24.00 N ATOM 415 CE2 TRP A 28 -1.451 8.368 -4.893 1.00 64.42 C ATOM 416 CE3 TRP A 28 -1.248 5.956 -4.702 1.00 13.23 C ATOM 417 CZ2 TRP A 28 -0.178 8.449 -5.471 1.00 64.41 C ATOM 418 CZ3 TRP A 28 0.039 6.027 -5.249 1.00 10.52 C ATOM 419 CH2 TRP A 28 0.579 7.270 -5.613 1.00 62.03 C ATOM 0 H TRP A 28 -4.451 5.722 -5.975 1.00 12.24 H new ATOM 0 HA TRP A 28 -5.803 5.037 -3.464 1.00 1.22 H new ATOM 0 HB2 TRP A 28 -4.630 6.887 -2.294 1.00 4.13 H new ATOM 0 HB3 TRP A 28 -3.534 5.596 -2.742 1.00 4.13 H new ATOM 0 HD1 TRP A 28 -4.292 9.251 -3.427 1.00 11.54 H new ATOM 0 HE1 TRP A 28 -2.348 10.299 -4.775 1.00 24.00 H new ATOM 0 HE3 TRP A 28 -1.667 4.994 -4.447 1.00 13.23 H new ATOM 0 HZ2 TRP A 28 0.216 9.399 -5.802 1.00 64.41 H new ATOM 0 HZ3 TRP A 28 0.616 5.125 -5.391 1.00 10.52 H new ATOM 0 HH2 TRP A 28 1.584 7.323 -6.005 1.00 62.03 H new ATOM 429 N ASN A 29 -6.765 6.711 -5.679 1.00 14.53 N ATOM 430 CA ASN A 29 -7.706 7.604 -6.334 1.00 52.33 C ATOM 431 C ASN A 29 -8.100 6.948 -7.653 1.00 30.22 C ATOM 432 O ASN A 29 -7.712 5.802 -7.879 1.00 24.02 O ATOM 433 CB ASN A 29 -7.097 9.000 -6.540 1.00 41.43 C ATOM 434 CG ASN A 29 -7.977 10.034 -5.870 1.00 22.24 C ATOM 435 OD1 ASN A 29 -8.820 10.641 -6.519 1.00 10.23 O ATOM 436 ND2 ASN A 29 -7.872 10.191 -4.558 1.00 44.55 N ATOM 0 H ASN A 29 -6.509 5.925 -6.277 1.00 14.53 H new ATOM 0 HA ASN A 29 -8.591 7.758 -5.716 1.00 52.33 H new ATOM 0 HB2 ASN A 29 -6.091 9.036 -6.122 1.00 41.43 H new ATOM 0 HB3 ASN A 29 -7.007 9.217 -7.604 1.00 41.43 H new ATOM 0 HD21 ASN A 29 -8.501 10.828 -4.069 1.00 44.55 H new ATOM 0 HD22 ASN A 29 -7.162 9.675 -4.038 1.00 44.55 H new ATOM 442 N ASP A 30 -8.875 7.619 -8.506 1.00 13.52 N ATOM 443 CA ASP A 30 -9.376 6.981 -9.726 1.00 45.33 C ATOM 444 C ASP A 30 -8.328 6.929 -10.847 1.00 5.34 C ATOM 445 O ASP A 30 -8.516 6.219 -11.835 1.00 53.22 O ATOM 446 CB ASP A 30 -10.691 7.619 -10.209 1.00 30.22 C ATOM 447 CG ASP A 30 -11.572 6.646 -11.003 1.00 43.12 C ATOM 448 OD1 ASP A 30 -11.347 5.416 -10.945 1.00 30.11 O ATOM 449 OD2 ASP A 30 -12.588 7.078 -11.595 1.00 2.14 O ATOM 0 H ASP A 30 -9.166 8.588 -8.379 1.00 13.52 H new ATOM 0 HA ASP A 30 -9.592 5.947 -9.458 1.00 45.33 H new ATOM 0 HB2 ASP A 30 -11.249 7.985 -9.347 1.00 30.22 H new ATOM 0 HB3 ASP A 30 -10.462 8.484 -10.831 1.00 30.22 H new ATOM 453 N GLY A 31 -7.207 7.647 -10.700 1.00 74.12 N ATOM 454 CA GLY A 31 -6.150 7.717 -11.702 1.00 22.24 C ATOM 455 C GLY A 31 -4.795 8.159 -11.142 1.00 70.12 C ATOM 456 O GLY A 31 -3.973 8.653 -11.913 1.00 51.13 O ATOM 0 H GLY A 31 -7.012 8.202 -9.867 1.00 74.12 H new ATOM 0 HA2 GLY A 31 -6.038 6.738 -12.167 1.00 22.24 H new ATOM 0 HA3 GLY A 31 -6.452 8.410 -12.487 1.00 22.24 H new ATOM 460 N LYS A 32 -4.545 8.015 -9.833 1.00 10.12 N ATOM 461 CA LYS A 32 -3.222 8.212 -9.243 1.00 52.32 C ATOM 462 C LYS A 32 -2.744 6.870 -8.736 1.00 12.54 C ATOM 463 O LYS A 32 -3.347 6.310 -7.816 1.00 72.03 O ATOM 464 CB LYS A 32 -3.210 9.227 -8.081 1.00 5.13 C ATOM 465 CG LYS A 32 -3.098 10.712 -8.458 1.00 50.15 C ATOM 466 CD LYS A 32 -1.886 11.084 -9.338 1.00 65.13 C ATOM 467 CE LYS A 32 -0.508 10.774 -8.733 1.00 2.31 C ATOM 468 NZ LYS A 32 0.551 10.825 -9.763 1.00 64.25 N ATOM 0 H LYS A 32 -5.261 7.757 -9.154 1.00 10.12 H new ATOM 0 HA LYS A 32 -2.569 8.622 -10.013 1.00 52.32 H new ATOM 0 HB2 LYS A 32 -4.124 9.092 -7.503 1.00 5.13 H new ATOM 0 HB3 LYS A 32 -2.377 8.980 -7.423 1.00 5.13 H new ATOM 0 HG2 LYS A 32 -4.008 11.006 -8.981 1.00 50.15 H new ATOM 0 HG3 LYS A 32 -3.053 11.299 -7.541 1.00 50.15 H new ATOM 0 HD2 LYS A 32 -1.973 10.556 -10.288 1.00 65.13 H new ATOM 0 HD3 LYS A 32 -1.934 12.150 -9.560 1.00 65.13 H new ATOM 0 HE2 LYS A 32 -0.285 11.491 -7.943 1.00 2.31 H new ATOM 0 HE3 LYS A 32 -0.524 9.786 -8.272 1.00 2.31 H new ATOM 0 HZ1 LYS A 32 1.471 10.612 -9.326 1.00 64.25 H new ATOM 0 HZ2 LYS A 32 0.349 10.124 -10.504 1.00 64.25 H new ATOM 0 HZ3 LYS A 32 0.580 11.775 -10.184 1.00 64.25 H new ATOM 478 N GLU A 33 -1.627 6.418 -9.295 1.00 73.32 N ATOM 479 CA GLU A 33 -0.811 5.363 -8.737 1.00 61.25 C ATOM 480 C GLU A 33 0.667 5.753 -8.788 1.00 22.30 C ATOM 481 O GLU A 33 1.036 6.776 -9.378 1.00 34.02 O ATOM 482 CB GLU A 33 -1.063 4.025 -9.466 1.00 51.12 C ATOM 483 CG GLU A 33 -0.864 4.047 -10.982 1.00 54.23 C ATOM 484 CD GLU A 33 -2.170 3.910 -11.755 1.00 41.23 C ATOM 485 OE1 GLU A 33 -2.561 2.749 -12.031 1.00 52.25 O ATOM 486 OE2 GLU A 33 -2.732 4.955 -12.142 1.00 71.22 O ATOM 0 H GLU A 33 -1.260 6.789 -10.171 1.00 73.32 H new ATOM 0 HA GLU A 33 -1.091 5.224 -7.693 1.00 61.25 H new ATOM 0 HB2 GLU A 33 -0.400 3.271 -9.042 1.00 51.12 H new ATOM 0 HB3 GLU A 33 -2.084 3.705 -9.257 1.00 51.12 H new ATOM 0 HG2 GLU A 33 -0.376 4.980 -11.266 1.00 54.23 H new ATOM 0 HG3 GLU A 33 -0.193 3.237 -11.267 1.00 54.23 H new ATOM 491 N GLN A 34 1.507 4.896 -8.209 1.00 73.15 N ATOM 492 CA GLN A 34 2.902 4.710 -8.583 1.00 4.32 C ATOM 493 C GLN A 34 3.226 3.214 -8.486 1.00 71.25 C ATOM 494 O GLN A 34 2.362 2.407 -8.114 1.00 13.11 O ATOM 495 CB GLN A 34 3.838 5.637 -7.779 1.00 41.35 C ATOM 496 CG GLN A 34 3.886 5.453 -6.255 1.00 43.32 C ATOM 497 CD GLN A 34 4.799 4.314 -5.810 1.00 21.20 C ATOM 498 OE1 GLN A 34 6.017 4.396 -5.865 1.00 12.33 O ATOM 499 NE2 GLN A 34 4.237 3.200 -5.380 1.00 4.43 N ATOM 0 H GLN A 34 1.221 4.292 -7.439 1.00 73.15 H new ATOM 0 HA GLN A 34 3.074 5.013 -9.616 1.00 4.32 H new ATOM 0 HB2 GLN A 34 4.849 5.509 -8.165 1.00 41.35 H new ATOM 0 HB3 GLN A 34 3.547 6.667 -7.984 1.00 41.35 H new ATOM 0 HG2 GLN A 34 4.225 6.381 -5.795 1.00 43.32 H new ATOM 0 HG3 GLN A 34 2.877 5.265 -5.887 1.00 43.32 H new ATOM 0 HE21 GLN A 34 3.221 3.127 -5.332 1.00 4.43 H new ATOM 0 HE22 GLN A 34 4.819 2.412 -5.095 1.00 4.43 H new ATOM 506 N THR A 35 4.455 2.839 -8.822 1.00 3.43 N ATOM 507 CA THR A 35 4.956 1.481 -8.716 1.00 54.42 C ATOM 508 C THR A 35 6.297 1.512 -7.986 1.00 73.34 C ATOM 509 O THR A 35 7.077 2.459 -8.105 1.00 33.10 O ATOM 510 CB THR A 35 5.095 0.839 -10.104 1.00 63.12 C ATOM 511 OG1 THR A 35 5.792 1.680 -11.010 1.00 64.35 O ATOM 512 CG2 THR A 35 3.743 0.489 -10.723 1.00 1.11 C ATOM 0 H THR A 35 5.148 3.493 -9.186 1.00 3.43 H new ATOM 0 HA THR A 35 4.250 0.872 -8.151 1.00 54.42 H new ATOM 0 HB THR A 35 5.663 -0.077 -9.940 1.00 63.12 H new ATOM 0 HG1 THR A 35 5.862 1.236 -11.881 1.00 64.35 H new ATOM 0 HG21 THR A 35 3.897 0.038 -11.703 1.00 1.11 H new ATOM 0 HG22 THR A 35 3.219 -0.216 -10.078 1.00 1.11 H new ATOM 0 HG23 THR A 35 3.146 1.395 -10.830 1.00 1.11 H new ATOM 520 N VAL A 36 6.558 0.454 -7.240 1.00 30.02 N ATOM 521 CA VAL A 36 7.732 0.300 -6.403 1.00 53.35 C ATOM 522 C VAL A 36 8.777 -0.468 -7.222 1.00 5.13 C ATOM 523 O VAL A 36 8.397 -1.252 -8.098 1.00 5.12 O ATOM 524 CB VAL A 36 7.241 -0.465 -5.159 1.00 4.40 C ATOM 525 CG1 VAL A 36 8.361 -0.844 -4.178 1.00 31.40 C ATOM 526 CG2 VAL A 36 6.134 0.321 -4.422 1.00 51.35 C ATOM 0 H VAL A 36 5.934 -0.352 -7.200 1.00 30.02 H new ATOM 0 HA VAL A 36 8.200 1.232 -6.085 1.00 53.35 H new ATOM 0 HB VAL A 36 6.832 -1.401 -5.539 1.00 4.40 H new ATOM 0 HG11 VAL A 36 7.935 -1.379 -3.329 1.00 31.40 H new ATOM 0 HG12 VAL A 36 9.086 -1.482 -4.683 1.00 31.40 H new ATOM 0 HG13 VAL A 36 8.857 0.060 -3.825 1.00 31.40 H new ATOM 0 HG21 VAL A 36 5.807 -0.243 -3.549 1.00 51.35 H new ATOM 0 HG22 VAL A 36 6.524 1.288 -4.104 1.00 51.35 H new ATOM 0 HG23 VAL A 36 5.288 0.474 -5.093 1.00 51.35 H new ATOM 536 N ASN A 37 10.066 -0.331 -6.900 1.00 62.15 N ATOM 537 CA ASN A 37 11.120 -1.184 -7.442 1.00 65.35 C ATOM 538 C ASN A 37 10.992 -2.605 -6.887 1.00 41.11 C ATOM 539 O ASN A 37 10.356 -3.461 -7.508 1.00 4.14 O ATOM 540 CB ASN A 37 12.504 -0.593 -7.144 1.00 1.32 C ATOM 541 CG ASN A 37 13.589 -1.491 -7.719 1.00 45.41 C ATOM 542 OD1 ASN A 37 13.619 -1.704 -8.925 1.00 74.25 O ATOM 543 ND2 ASN A 37 14.460 -2.046 -6.896 1.00 70.25 N ATOM 0 H ASN A 37 10.407 0.379 -6.252 1.00 62.15 H new ATOM 0 HA ASN A 37 11.007 -1.232 -8.525 1.00 65.35 H new ATOM 0 HB2 ASN A 37 12.582 0.406 -7.573 1.00 1.32 H new ATOM 0 HB3 ASN A 37 12.640 -0.489 -6.068 1.00 1.32 H new ATOM 0 HD21 ASN A 37 15.180 -2.669 -7.260 1.00 70.25 H new ATOM 0 HD22 ASN A 37 14.412 -1.851 -5.896 1.00 70.25 H new ATOM 549 N THR A 38 11.551 -2.881 -5.713 1.00 2.12 N ATOM 550 CA THR A 38 11.553 -4.185 -5.072 1.00 54.31 C ATOM 551 C THR A 38 11.538 -3.955 -3.552 1.00 43.31 C ATOM 552 O THR A 38 11.908 -2.876 -3.077 1.00 65.45 O ATOM 553 CB THR A 38 12.755 -5.002 -5.608 1.00 53.54 C ATOM 554 OG1 THR A 38 12.703 -5.161 -7.018 1.00 1.14 O ATOM 555 CG2 THR A 38 12.844 -6.421 -5.063 1.00 51.13 C ATOM 0 H THR A 38 12.034 -2.171 -5.162 1.00 2.12 H new ATOM 0 HA THR A 38 10.672 -4.783 -5.304 1.00 54.31 H new ATOM 0 HB THR A 38 13.612 -4.415 -5.279 1.00 53.54 H new ATOM 0 HG1 THR A 38 13.479 -5.680 -7.318 1.00 1.14 H new ATOM 0 HG21 THR A 38 13.713 -6.921 -5.490 1.00 51.13 H new ATOM 0 HG22 THR A 38 12.941 -6.389 -3.978 1.00 51.13 H new ATOM 0 HG23 THR A 38 11.942 -6.971 -5.331 1.00 51.13 H new ATOM 563 N LEU A 39 11.065 -4.935 -2.783 1.00 34.23 N ATOM 564 CA LEU A 39 10.827 -4.852 -1.349 1.00 25.53 C ATOM 565 C LEU A 39 11.256 -6.179 -0.740 1.00 25.33 C ATOM 566 O LEU A 39 10.604 -7.210 -0.926 1.00 32.11 O ATOM 567 CB LEU A 39 9.343 -4.544 -1.067 1.00 14.24 C ATOM 568 CG LEU A 39 9.023 -3.351 -0.156 1.00 44.14 C ATOM 569 CD1 LEU A 39 9.779 -2.052 -0.485 1.00 22.11 C ATOM 570 CD2 LEU A 39 7.518 -3.112 -0.250 1.00 24.43 C ATOM 0 H LEU A 39 10.827 -5.851 -3.165 1.00 34.23 H new ATOM 0 HA LEU A 39 11.402 -4.041 -0.902 1.00 25.53 H new ATOM 0 HB2 LEU A 39 8.847 -4.378 -2.023 1.00 14.24 H new ATOM 0 HB3 LEU A 39 8.894 -5.433 -0.625 1.00 14.24 H new ATOM 0 HG LEU A 39 9.354 -3.610 0.850 1.00 44.14 H new ATOM 0 HD11 LEU A 39 9.483 -1.271 0.215 1.00 22.11 H new ATOM 0 HD12 LEU A 39 10.852 -2.225 -0.403 1.00 22.11 H new ATOM 0 HD13 LEU A 39 9.539 -1.739 -1.501 1.00 22.11 H new ATOM 0 HD21 LEU A 39 7.243 -2.269 0.384 1.00 24.43 H new ATOM 0 HD22 LEU A 39 7.248 -2.892 -1.283 1.00 24.43 H new ATOM 0 HD23 LEU A 39 6.987 -4.004 0.082 1.00 24.43 H new ATOM 581 N GLY A 40 12.382 -6.121 -0.038 1.00 1.10 N ATOM 582 CA GLY A 40 12.961 -7.203 0.731 1.00 10.02 C ATOM 583 C GLY A 40 12.092 -7.640 1.912 1.00 32.22 C ATOM 584 O GLY A 40 11.024 -7.087 2.171 1.00 23.40 O ATOM 0 H GLY A 40 12.941 -5.269 0.009 1.00 1.10 H new ATOM 0 HA2 GLY A 40 13.126 -8.058 0.075 1.00 10.02 H new ATOM 0 HA3 GLY A 40 13.938 -6.893 1.103 1.00 10.02 H new ATOM 588 N SER A 41 12.535 -8.641 2.666 1.00 62.52 N ATOM 589 CA SER A 41 11.826 -9.069 3.865 1.00 11.43 C ATOM 590 C SER A 41 11.859 -7.938 4.900 1.00 24.50 C ATOM 591 O SER A 41 12.945 -7.461 5.232 1.00 10.32 O ATOM 592 CB SER A 41 12.487 -10.334 4.413 1.00 10.14 C ATOM 593 OG SER A 41 12.605 -11.314 3.394 1.00 43.43 O ATOM 0 H SER A 41 13.383 -9.171 2.467 1.00 62.52 H new ATOM 0 HA SER A 41 10.785 -9.295 3.632 1.00 11.43 H new ATOM 0 HB2 SER A 41 13.473 -10.093 4.810 1.00 10.14 H new ATOM 0 HB3 SER A 41 11.898 -10.730 5.240 1.00 10.14 H new ATOM 0 HG SER A 41 13.031 -12.117 3.760 1.00 43.43 H new ATOM 598 N HIS A 42 10.695 -7.508 5.396 1.00 65.11 N ATOM 599 CA HIS A 42 10.517 -6.354 6.278 1.00 71.11 C ATOM 600 C HIS A 42 11.048 -5.037 5.688 1.00 64.23 C ATOM 601 O HIS A 42 11.276 -4.078 6.433 1.00 45.25 O ATOM 602 CB HIS A 42 11.023 -6.658 7.702 1.00 52.33 C ATOM 603 CG HIS A 42 9.958 -7.263 8.575 1.00 70.21 C ATOM 604 ND1 HIS A 42 9.222 -6.588 9.525 1.00 65.15 N ATOM 605 CD2 HIS A 42 9.523 -8.559 8.546 1.00 72.55 C ATOM 606 CE1 HIS A 42 8.359 -7.461 10.066 1.00 5.33 C ATOM 607 NE2 HIS A 42 8.527 -8.682 9.524 1.00 5.01 N ATOM 0 H HIS A 42 9.814 -7.976 5.184 1.00 65.11 H new ATOM 0 HA HIS A 42 9.444 -6.180 6.363 1.00 71.11 H new ATOM 0 HB2 HIS A 42 11.872 -7.340 7.645 1.00 52.33 H new ATOM 0 HB3 HIS A 42 11.384 -5.737 8.160 1.00 52.33 H new ATOM 0 HD2 HIS A 42 9.880 -9.341 7.892 1.00 72.55 H new ATOM 0 HE1 HIS A 42 7.633 -7.219 10.828 1.00 5.33 H new ATOM 0 HE2 HIS A 42 8.025 -9.533 9.777 1.00 5.01 H new ATOM 614 N ASP A 43 11.215 -4.950 4.363 1.00 70.31 N ATOM 615 CA ASP A 43 11.562 -3.683 3.719 1.00 50.45 C ATOM 616 C ASP A 43 10.436 -2.679 3.893 1.00 14.44 C ATOM 617 O ASP A 43 9.306 -3.003 4.277 1.00 72.15 O ATOM 618 CB ASP A 43 11.868 -3.843 2.232 1.00 53.34 C ATOM 619 CG ASP A 43 13.230 -3.384 1.738 1.00 31.51 C ATOM 620 OD1 ASP A 43 14.218 -4.102 1.988 1.00 34.41 O ATOM 621 OD2 ASP A 43 13.268 -2.423 0.939 1.00 32.23 O ATOM 0 H ASP A 43 11.116 -5.737 3.722 1.00 70.31 H new ATOM 0 HA ASP A 43 12.468 -3.323 4.207 1.00 50.45 H new ATOM 0 HB2 ASP A 43 11.757 -4.897 1.978 1.00 53.34 H new ATOM 0 HB3 ASP A 43 11.107 -3.299 1.673 1.00 53.34 H new ATOM 625 N SER A 44 10.772 -1.445 3.561 1.00 51.41 N ATOM 626 CA SER A 44 9.915 -0.285 3.780 1.00 22.11 C ATOM 627 C SER A 44 10.414 0.937 3.003 1.00 72.34 C ATOM 628 O SER A 44 11.599 1.027 2.669 1.00 74.34 O ATOM 629 CB SER A 44 9.770 -0.025 5.293 1.00 41.41 C ATOM 630 OG SER A 44 11.023 -0.012 5.959 1.00 74.15 O ATOM 0 H SER A 44 11.664 -1.213 3.123 1.00 51.41 H new ATOM 0 HA SER A 44 8.920 -0.493 3.387 1.00 22.11 H new ATOM 0 HB2 SER A 44 9.268 0.930 5.449 1.00 41.41 H new ATOM 0 HB3 SER A 44 9.135 -0.794 5.733 1.00 41.41 H new ATOM 0 HG SER A 44 10.884 0.158 6.914 1.00 74.15 H new ATOM 635 N ILE A 45 9.503 1.864 2.694 1.00 30.21 N ATOM 636 CA ILE A 45 9.628 2.936 1.715 1.00 50.43 C ATOM 637 C ILE A 45 8.324 3.727 1.748 1.00 54.23 C ATOM 638 O ILE A 45 7.235 3.156 1.848 1.00 34.03 O ATOM 639 CB ILE A 45 9.920 2.382 0.302 1.00 3.20 C ATOM 640 CG1 ILE A 45 10.209 3.524 -0.690 1.00 73.32 C ATOM 641 CG2 ILE A 45 8.812 1.450 -0.206 1.00 10.52 C ATOM 642 CD1 ILE A 45 10.412 3.049 -2.124 1.00 41.52 C ATOM 0 H ILE A 45 8.595 1.882 3.158 1.00 30.21 H new ATOM 0 HA ILE A 45 10.471 3.581 1.962 1.00 50.43 H new ATOM 0 HB ILE A 45 10.819 1.770 0.378 1.00 3.20 H new ATOM 0 HG12 ILE A 45 9.382 4.234 -0.665 1.00 73.32 H new ATOM 0 HG13 ILE A 45 11.100 4.061 -0.364 1.00 73.32 H new ATOM 0 HG21 ILE A 45 9.068 1.090 -1.202 1.00 10.52 H new ATOM 0 HG22 ILE A 45 8.711 0.602 0.472 1.00 10.52 H new ATOM 0 HG23 ILE A 45 7.869 1.995 -0.249 1.00 10.52 H new ATOM 0 HD11 ILE A 45 10.611 3.907 -2.767 1.00 41.52 H new ATOM 0 HD12 ILE A 45 11.257 2.362 -2.163 1.00 41.52 H new ATOM 0 HD13 ILE A 45 9.513 2.538 -2.469 1.00 41.52 H new ATOM 653 N ASP A 46 8.449 5.037 1.611 1.00 5.34 N ATOM 654 CA ASP A 46 7.378 6.023 1.660 1.00 51.41 C ATOM 655 C ASP A 46 7.392 6.739 0.313 1.00 70.11 C ATOM 656 O ASP A 46 8.461 6.934 -0.281 1.00 2.33 O ATOM 657 CB ASP A 46 7.680 6.946 2.847 1.00 43.33 C ATOM 658 CG ASP A 46 6.729 8.057 3.200 1.00 13.11 C ATOM 659 OD1 ASP A 46 5.700 7.767 3.849 1.00 43.35 O ATOM 660 OD2 ASP A 46 7.182 9.222 3.083 1.00 51.42 O ATOM 0 H ASP A 46 9.359 5.469 1.452 1.00 5.34 H new ATOM 0 HA ASP A 46 6.382 5.606 1.811 1.00 51.41 H new ATOM 0 HB2 ASP A 46 7.782 6.315 3.730 1.00 43.33 H new ATOM 0 HB3 ASP A 46 8.654 7.400 2.665 1.00 43.33 H new ATOM 664 N PHE A 47 6.222 7.081 -0.211 1.00 33.22 N ATOM 665 CA PHE A 47 6.098 7.910 -1.408 1.00 43.53 C ATOM 666 C PHE A 47 4.969 8.923 -1.243 1.00 41.55 C ATOM 667 O PHE A 47 3.872 8.604 -0.770 1.00 42.24 O ATOM 668 CB PHE A 47 5.939 7.067 -2.686 1.00 13.51 C ATOM 669 CG PHE A 47 4.992 5.898 -2.578 1.00 5.54 C ATOM 670 CD1 PHE A 47 3.627 6.066 -2.866 1.00 4.52 C ATOM 671 CD2 PHE A 47 5.490 4.644 -2.173 1.00 21.23 C ATOM 672 CE1 PHE A 47 2.750 4.980 -2.720 1.00 50.54 C ATOM 673 CE2 PHE A 47 4.609 3.569 -1.993 1.00 34.13 C ATOM 674 CZ PHE A 47 3.241 3.752 -2.244 1.00 12.13 C ATOM 0 H PHE A 47 5.327 6.791 0.183 1.00 33.22 H new ATOM 0 HA PHE A 47 7.029 8.464 -1.527 1.00 43.53 H new ATOM 0 HB2 PHE A 47 5.595 7.718 -3.490 1.00 13.51 H new ATOM 0 HB3 PHE A 47 6.920 6.692 -2.978 1.00 13.51 H new ATOM 0 HD1 PHE A 47 3.255 7.024 -3.197 1.00 4.52 H new ATOM 0 HD2 PHE A 47 6.548 4.511 -2.002 1.00 21.23 H new ATOM 0 HE1 PHE A 47 1.705 5.087 -2.972 1.00 50.54 H new ATOM 0 HE2 PHE A 47 4.980 2.609 -1.664 1.00 34.13 H new ATOM 0 HZ PHE A 47 2.555 2.937 -2.069 1.00 12.13 H new ATOM 683 N SER A 48 5.256 10.156 -1.658 1.00 63.24 N ATOM 684 CA SER A 48 4.303 11.249 -1.712 1.00 24.32 C ATOM 685 C SER A 48 3.185 10.912 -2.694 1.00 62.35 C ATOM 686 O SER A 48 3.368 10.189 -3.681 1.00 72.31 O ATOM 687 CB SER A 48 5.071 12.526 -2.096 1.00 25.12 C ATOM 688 OG SER A 48 4.241 13.651 -2.324 1.00 70.41 O ATOM 0 H SER A 48 6.188 10.424 -1.974 1.00 63.24 H new ATOM 0 HA SER A 48 3.825 11.412 -0.746 1.00 24.32 H new ATOM 0 HB2 SER A 48 5.779 12.765 -1.302 1.00 25.12 H new ATOM 0 HB3 SER A 48 5.655 12.330 -2.995 1.00 25.12 H new ATOM 0 HG SER A 48 4.795 14.424 -2.561 1.00 70.41 H new ATOM 693 N SER A 49 2.001 11.445 -2.414 1.00 23.01 N ATOM 694 CA SER A 49 0.757 11.029 -3.020 1.00 31.20 C ATOM 695 C SER A 49 0.004 12.312 -3.380 1.00 63.44 C ATOM 696 O SER A 49 -0.509 13.001 -2.503 1.00 53.32 O ATOM 697 CB SER A 49 0.016 10.094 -2.047 1.00 12.51 C ATOM 698 OG SER A 49 0.907 9.323 -1.254 1.00 4.52 O ATOM 0 H SER A 49 1.885 12.200 -1.738 1.00 23.01 H new ATOM 0 HA SER A 49 0.883 10.448 -3.934 1.00 31.20 H new ATOM 0 HB2 SER A 49 -0.626 10.687 -1.395 1.00 12.51 H new ATOM 0 HB3 SER A 49 -0.634 9.426 -2.613 1.00 12.51 H new ATOM 0 HG SER A 49 1.467 8.769 -1.837 1.00 4.52 H new ATOM 703 N ASP A 50 0.010 12.668 -4.669 1.00 72.41 N ATOM 704 CA ASP A 50 -0.347 13.992 -5.213 1.00 30.00 C ATOM 705 C ASP A 50 -1.763 14.479 -4.870 1.00 14.13 C ATOM 706 O ASP A 50 -2.068 15.670 -4.986 1.00 64.15 O ATOM 707 CB ASP A 50 -0.196 13.930 -6.741 1.00 64.32 C ATOM 708 CG ASP A 50 -0.237 15.301 -7.427 1.00 5.30 C ATOM 709 OD1 ASP A 50 0.455 16.245 -6.968 1.00 5.13 O ATOM 710 OD2 ASP A 50 -0.897 15.422 -8.478 1.00 1.24 O ATOM 0 H ASP A 50 0.277 12.011 -5.402 1.00 72.41 H new ATOM 0 HA ASP A 50 0.327 14.711 -4.747 1.00 30.00 H new ATOM 0 HB2 ASP A 50 0.748 13.442 -6.983 1.00 64.32 H new ATOM 0 HB3 ASP A 50 -0.991 13.307 -7.150 1.00 64.32 H new ATOM 714 N ALA A 51 -2.626 13.558 -4.444 1.00 61.01 N ATOM 715 CA ALA A 51 -3.980 13.829 -4.011 1.00 52.54 C ATOM 716 C ALA A 51 -3.941 14.507 -2.637 1.00 45.55 C ATOM 717 O ALA A 51 -3.139 14.148 -1.770 1.00 44.35 O ATOM 718 CB ALA A 51 -4.747 12.504 -3.975 1.00 51.12 C ATOM 0 H ALA A 51 -2.384 12.568 -4.392 1.00 61.01 H new ATOM 0 HA ALA A 51 -4.490 14.504 -4.698 1.00 52.54 H new ATOM 0 HB1 ALA A 51 -5.772 12.685 -3.651 1.00 51.12 H new ATOM 0 HB2 ALA A 51 -4.755 12.061 -4.971 1.00 51.12 H new ATOM 0 HB3 ALA A 51 -4.261 11.821 -3.278 1.00 51.12 H new ATOM 724 N GLY A 52 -4.831 15.470 -2.423 1.00 22.04 N ATOM 725 CA GLY A 52 -4.924 16.199 -1.168 1.00 22.12 C ATOM 726 C GLY A 52 -5.598 15.384 -0.070 1.00 25.40 C ATOM 727 O GLY A 52 -5.430 15.696 1.111 1.00 54.31 O ATOM 0 H GLY A 52 -5.512 15.767 -3.122 1.00 22.04 H new ATOM 0 HA2 GLY A 52 -3.924 16.485 -0.842 1.00 22.12 H new ATOM 0 HA3 GLY A 52 -5.483 17.121 -1.327 1.00 22.12 H new ATOM 731 N SER A 53 -6.342 14.341 -0.439 1.00 42.33 N ATOM 732 CA SER A 53 -6.871 13.337 0.464 1.00 22.14 C ATOM 733 C SER A 53 -6.894 11.993 -0.276 1.00 74.15 C ATOM 734 O SER A 53 -6.859 11.961 -1.509 1.00 23.11 O ATOM 735 CB SER A 53 -8.291 13.721 0.915 1.00 31.30 C ATOM 736 OG SER A 53 -8.422 15.077 1.315 1.00 52.31 O ATOM 0 H SER A 53 -6.598 14.172 -1.412 1.00 42.33 H new ATOM 0 HA SER A 53 -6.244 13.265 1.352 1.00 22.14 H new ATOM 0 HB2 SER A 53 -8.986 13.525 0.099 1.00 31.30 H new ATOM 0 HB3 SER A 53 -8.584 13.078 1.745 1.00 31.30 H new ATOM 0 HG SER A 53 -9.348 15.250 1.586 1.00 52.31 H new ATOM 741 N VAL A 54 -7.033 10.889 0.452 1.00 24.12 N ATOM 742 CA VAL A 54 -7.509 9.620 -0.065 1.00 72.32 C ATOM 743 C VAL A 54 -8.601 9.065 0.843 1.00 41.41 C ATOM 744 O VAL A 54 -8.512 9.135 2.074 1.00 10.44 O ATOM 745 CB VAL A 54 -6.347 8.655 -0.374 1.00 3.31 C ATOM 746 CG1 VAL A 54 -5.235 8.567 0.669 1.00 45.33 C ATOM 747 CG2 VAL A 54 -6.858 7.223 -0.590 1.00 31.01 C ATOM 0 H VAL A 54 -6.810 10.857 1.447 1.00 24.12 H new ATOM 0 HA VAL A 54 -7.981 9.769 -1.036 1.00 72.32 H new ATOM 0 HB VAL A 54 -5.914 9.095 -1.272 1.00 3.31 H new ATOM 0 HG11 VAL A 54 -4.479 7.856 0.336 1.00 45.33 H new ATOM 0 HG12 VAL A 54 -4.779 9.548 0.798 1.00 45.33 H new ATOM 0 HG13 VAL A 54 -5.653 8.233 1.619 1.00 45.33 H new ATOM 0 HG21 VAL A 54 -6.016 6.565 -0.806 1.00 31.01 H new ATOM 0 HG22 VAL A 54 -7.366 6.878 0.311 1.00 31.01 H new ATOM 0 HG23 VAL A 54 -7.555 7.208 -1.428 1.00 31.01 H new ATOM 757 N TYR A 55 -9.607 8.479 0.191 1.00 5.40 N ATOM 758 CA TYR A 55 -10.743 7.783 0.764 1.00 65.13 C ATOM 759 C TYR A 55 -10.853 6.318 0.271 1.00 73.41 C ATOM 760 O TYR A 55 -11.653 5.559 0.824 1.00 4.12 O ATOM 761 CB TYR A 55 -12.017 8.578 0.505 1.00 63.22 C ATOM 762 CG TYR A 55 -12.238 9.018 -0.931 1.00 45.51 C ATOM 763 CD1 TYR A 55 -12.412 8.061 -1.945 1.00 65.02 C ATOM 764 CD2 TYR A 55 -12.194 10.383 -1.262 1.00 70.03 C ATOM 765 CE1 TYR A 55 -12.480 8.457 -3.296 1.00 1.31 C ATOM 766 CE2 TYR A 55 -12.331 10.795 -2.597 1.00 64.13 C ATOM 767 CZ TYR A 55 -12.467 9.835 -3.622 1.00 52.33 C ATOM 768 OH TYR A 55 -12.570 10.243 -4.913 1.00 52.55 O ATOM 0 H TYR A 55 -9.644 8.483 -0.828 1.00 5.40 H new ATOM 0 HA TYR A 55 -10.592 7.714 1.841 1.00 65.13 H new ATOM 0 HB2 TYR A 55 -12.870 7.974 0.816 1.00 63.22 H new ATOM 0 HB3 TYR A 55 -12.006 9.464 1.140 1.00 63.22 H new ATOM 0 HD1 TYR A 55 -12.494 7.015 -1.688 1.00 65.02 H new ATOM 0 HD2 TYR A 55 -12.054 11.120 -0.485 1.00 70.03 H new ATOM 0 HE1 TYR A 55 -12.542 7.714 -4.078 1.00 1.31 H new ATOM 0 HE2 TYR A 55 -12.332 11.847 -2.840 1.00 64.13 H new ATOM 0 HH TYR A 55 -12.544 11.222 -4.950 1.00 52.55 H new ATOM 777 N LYS A 56 -10.062 5.876 -0.725 1.00 34.22 N ATOM 778 CA LYS A 56 -9.979 4.469 -1.144 1.00 4.40 C ATOM 779 C LYS A 56 -8.574 4.114 -1.610 1.00 5.14 C ATOM 780 O LYS A 56 -7.927 4.921 -2.269 1.00 62.35 O ATOM 781 CB LYS A 56 -10.984 4.141 -2.265 1.00 23.34 C ATOM 782 CG LYS A 56 -10.890 5.047 -3.515 1.00 74.05 C ATOM 783 CD LYS A 56 -11.623 4.444 -4.724 1.00 63.15 C ATOM 784 CE LYS A 56 -10.660 3.779 -5.715 1.00 30.13 C ATOM 785 NZ LYS A 56 -9.744 2.803 -5.092 1.00 2.31 N ATOM 0 H LYS A 56 -9.457 6.495 -1.265 1.00 34.22 H new ATOM 0 HA LYS A 56 -10.230 3.871 -0.268 1.00 4.40 H new ATOM 0 HB2 LYS A 56 -10.836 3.106 -2.573 1.00 23.34 H new ATOM 0 HB3 LYS A 56 -11.993 4.211 -1.859 1.00 23.34 H new ATOM 0 HG2 LYS A 56 -11.314 6.025 -3.286 1.00 74.05 H new ATOM 0 HG3 LYS A 56 -9.842 5.205 -3.769 1.00 74.05 H new ATOM 0 HD2 LYS A 56 -12.349 3.709 -4.377 1.00 63.15 H new ATOM 0 HD3 LYS A 56 -12.183 5.228 -5.235 1.00 63.15 H new ATOM 0 HE2 LYS A 56 -11.240 3.276 -6.489 1.00 30.13 H new ATOM 0 HE3 LYS A 56 -10.071 4.552 -6.209 1.00 30.13 H new ATOM 0 HZ1 LYS A 56 -9.207 2.309 -5.833 1.00 2.31 H new ATOM 0 HZ2 LYS A 56 -9.085 3.300 -4.460 1.00 2.31 H new ATOM 0 HZ3 LYS A 56 -10.294 2.111 -4.544 1.00 2.31 H new ATOM 795 N MET A 57 -8.143 2.874 -1.399 1.00 10.30 N ATOM 796 CA MET A 57 -6.856 2.370 -1.865 1.00 21.04 C ATOM 797 C MET A 57 -7.079 1.033 -2.526 1.00 53.33 C ATOM 798 O MET A 57 -7.909 0.231 -2.111 1.00 23.11 O ATOM 799 CB MET A 57 -5.843 2.346 -0.714 1.00 4.52 C ATOM 800 CG MET A 57 -4.466 1.800 -1.133 1.00 10.31 C ATOM 801 SD MET A 57 -3.103 2.035 0.041 1.00 14.40 S ATOM 802 CE MET A 57 -2.872 3.828 -0.100 1.00 42.32 C ATOM 0 H MET A 57 -8.689 2.179 -0.890 1.00 10.30 H new ATOM 0 HA MET A 57 -6.418 3.030 -2.614 1.00 21.04 H new ATOM 0 HB2 MET A 57 -5.723 3.356 -0.322 1.00 4.52 H new ATOM 0 HB3 MET A 57 -6.238 1.735 0.097 1.00 4.52 H new ATOM 0 HG2 MET A 57 -4.568 0.732 -1.326 1.00 10.31 H new ATOM 0 HG3 MET A 57 -4.187 2.269 -2.076 1.00 10.31 H new ATOM 0 HE1 MET A 57 -2.180 4.167 0.671 1.00 42.32 H new ATOM 0 HE2 MET A 57 -2.465 4.066 -1.083 1.00 42.32 H new ATOM 0 HE3 MET A 57 -3.831 4.330 0.027 1.00 42.32 H new ATOM 810 N ASP A 58 -6.343 0.822 -3.600 1.00 10.41 N ATOM 811 CA ASP A 58 -6.346 -0.380 -4.394 1.00 22.34 C ATOM 812 C ASP A 58 -4.890 -0.639 -4.682 1.00 3.14 C ATOM 813 O ASP A 58 -4.197 0.194 -5.254 1.00 62.41 O ATOM 814 CB ASP A 58 -7.189 -0.204 -5.661 1.00 64.11 C ATOM 815 CG ASP A 58 -6.525 -0.858 -6.873 1.00 32.31 C ATOM 816 OD1 ASP A 58 -6.403 -2.101 -6.924 1.00 22.12 O ATOM 817 OD2 ASP A 58 -6.124 -0.100 -7.786 1.00 1.33 O ATOM 0 H ASP A 58 -5.695 1.524 -3.956 1.00 10.41 H new ATOM 0 HA ASP A 58 -6.802 -1.228 -3.884 1.00 22.34 H new ATOM 0 HB2 ASP A 58 -8.176 -0.641 -5.506 1.00 64.11 H new ATOM 0 HB3 ASP A 58 -7.337 0.858 -5.856 1.00 64.11 H new ATOM 821 N VAL A 59 -4.406 -1.766 -4.199 1.00 34.43 N ATOM 822 CA VAL A 59 -3.059 -2.210 -4.493 1.00 70.34 C ATOM 823 C VAL A 59 -3.097 -3.502 -5.292 1.00 50.31 C ATOM 824 O VAL A 59 -4.056 -4.267 -5.203 1.00 62.31 O ATOM 825 CB VAL A 59 -2.252 -2.407 -3.210 1.00 41.22 C ATOM 826 CG1 VAL A 59 -2.443 -1.285 -2.181 1.00 13.13 C ATOM 827 CG2 VAL A 59 -2.250 -3.798 -2.575 1.00 41.13 C ATOM 0 H VAL A 59 -4.933 -2.397 -3.595 1.00 34.43 H new ATOM 0 HA VAL A 59 -2.569 -1.438 -5.086 1.00 70.34 H new ATOM 0 HB VAL A 59 -1.235 -2.330 -3.595 1.00 41.22 H new ATOM 0 HG11 VAL A 59 -1.839 -1.494 -1.298 1.00 13.13 H new ATOM 0 HG12 VAL A 59 -2.132 -0.335 -2.616 1.00 13.13 H new ATOM 0 HG13 VAL A 59 -3.494 -1.227 -1.897 1.00 13.13 H new ATOM 0 HG21 VAL A 59 -1.637 -3.786 -1.674 1.00 41.13 H new ATOM 0 HG22 VAL A 59 -3.270 -4.081 -2.316 1.00 41.13 H new ATOM 0 HG23 VAL A 59 -1.841 -4.520 -3.282 1.00 41.13 H new ATOM 837 N THR A 60 -1.996 -3.820 -5.962 1.00 5.50 N ATOM 838 CA THR A 60 -1.777 -5.132 -6.546 1.00 74.31 C ATOM 839 C THR A 60 -0.274 -5.321 -6.647 1.00 73.34 C ATOM 840 O THR A 60 0.443 -4.436 -7.114 1.00 10.14 O ATOM 841 CB THR A 60 -2.592 -5.335 -7.848 1.00 61.33 C ATOM 842 OG1 THR A 60 -1.934 -6.087 -8.842 1.00 53.42 O ATOM 843 CG2 THR A 60 -3.137 -4.047 -8.450 1.00 43.44 C ATOM 0 H THR A 60 -1.226 -3.168 -6.115 1.00 5.50 H new ATOM 0 HA THR A 60 -2.165 -5.935 -5.920 1.00 74.31 H new ATOM 0 HB THR A 60 -3.439 -5.927 -7.501 1.00 61.33 H new ATOM 0 HG1 THR A 60 -2.514 -6.170 -9.627 1.00 53.42 H new ATOM 0 HG21 THR A 60 -3.695 -4.277 -9.358 1.00 43.44 H new ATOM 0 HG22 THR A 60 -3.797 -3.561 -7.732 1.00 43.44 H new ATOM 0 HG23 THR A 60 -2.310 -3.380 -8.692 1.00 43.44 H new ATOM 851 N GLY A 61 0.221 -6.435 -6.127 1.00 11.21 N ATOM 852 CA GLY A 61 1.622 -6.800 -6.251 1.00 32.02 C ATOM 853 C GLY A 61 1.749 -8.306 -6.376 1.00 61.31 C ATOM 854 O GLY A 61 0.758 -9.034 -6.305 1.00 22.11 O ATOM 0 H GLY A 61 -0.339 -7.111 -5.607 1.00 11.21 H new ATOM 0 HA2 GLY A 61 2.058 -6.315 -7.124 1.00 32.02 H new ATOM 0 HA3 GLY A 61 2.177 -6.450 -5.381 1.00 32.02 H new ATOM 858 N THR A 62 2.959 -8.799 -6.620 1.00 11.31 N ATOM 859 CA THR A 62 3.207 -10.216 -6.829 1.00 63.12 C ATOM 860 C THR A 62 4.545 -10.611 -6.198 1.00 22.24 C ATOM 861 O THR A 62 5.518 -9.843 -6.227 1.00 63.15 O ATOM 862 CB THR A 62 3.107 -10.527 -8.330 1.00 3.33 C ATOM 863 OG1 THR A 62 1.897 -9.996 -8.843 1.00 51.25 O ATOM 864 CG2 THR A 62 3.137 -12.010 -8.683 1.00 70.45 C ATOM 0 H THR A 62 3.798 -8.221 -6.678 1.00 11.31 H new ATOM 0 HA THR A 62 2.452 -10.824 -6.331 1.00 63.12 H new ATOM 0 HB THR A 62 3.993 -10.071 -8.772 1.00 3.33 H new ATOM 0 HG1 THR A 62 1.834 -10.193 -9.801 1.00 51.25 H new ATOM 0 HG21 THR A 62 3.061 -12.128 -9.764 1.00 70.45 H new ATOM 0 HG22 THR A 62 4.072 -12.448 -8.335 1.00 70.45 H new ATOM 0 HG23 THR A 62 2.299 -12.515 -8.203 1.00 70.45 H new ATOM 872 N THR A 63 4.541 -11.773 -5.551 1.00 12.10 N ATOM 873 CA THR A 63 5.621 -12.283 -4.712 1.00 14.20 C ATOM 874 C THR A 63 6.759 -12.904 -5.517 1.00 14.42 C ATOM 875 O THR A 63 6.660 -13.097 -6.730 1.00 22.43 O ATOM 876 CB THR A 63 5.054 -13.271 -3.666 1.00 2.52 C ATOM 877 OG1 THR A 63 4.698 -14.510 -4.253 1.00 42.52 O ATOM 878 CG2 THR A 63 3.829 -12.714 -2.941 1.00 43.13 C ATOM 0 H THR A 63 3.749 -12.414 -5.600 1.00 12.10 H new ATOM 0 HA THR A 63 6.062 -11.433 -4.192 1.00 14.20 H new ATOM 0 HB THR A 63 5.857 -13.421 -2.944 1.00 2.52 H new ATOM 0 HG1 THR A 63 4.345 -15.110 -3.563 1.00 42.52 H new ATOM 0 HG21 THR A 63 3.470 -13.446 -2.218 1.00 43.13 H new ATOM 0 HG22 THR A 63 4.100 -11.795 -2.422 1.00 43.13 H new ATOM 0 HG23 THR A 63 3.042 -12.503 -3.665 1.00 43.13 H new ATOM 886 N GLN A 64 7.847 -13.249 -4.823 1.00 72.43 N ATOM 887 CA GLN A 64 8.952 -14.058 -5.324 1.00 34.44 C ATOM 888 C GLN A 64 8.445 -15.388 -5.899 1.00 61.25 C ATOM 889 O GLN A 64 8.975 -15.876 -6.895 1.00 42.14 O ATOM 890 CB GLN A 64 9.911 -14.319 -4.152 1.00 43.43 C ATOM 891 CG GLN A 64 11.296 -14.840 -4.569 1.00 34.41 C ATOM 892 CD GLN A 64 12.341 -13.742 -4.416 1.00 50.24 C ATOM 893 OE1 GLN A 64 12.332 -12.761 -5.158 1.00 45.32 O ATOM 894 NE2 GLN A 64 13.221 -13.832 -3.438 1.00 14.14 N ATOM 0 H GLN A 64 7.984 -12.957 -3.855 1.00 72.43 H new ATOM 0 HA GLN A 64 9.462 -13.529 -6.129 1.00 34.44 H new ATOM 0 HB2 GLN A 64 10.038 -13.394 -3.590 1.00 43.43 H new ATOM 0 HB3 GLN A 64 9.452 -15.042 -3.477 1.00 43.43 H new ATOM 0 HG2 GLN A 64 11.569 -15.699 -3.956 1.00 34.41 H new ATOM 0 HG3 GLN A 64 11.267 -15.183 -5.603 1.00 34.41 H new ATOM 0 HE21 GLN A 64 13.222 -14.649 -2.827 1.00 14.14 H new ATOM 0 HE22 GLN A 64 13.900 -13.085 -3.293 1.00 14.14 H new ATOM 901 N SER A 65 7.417 -15.971 -5.275 1.00 23.01 N ATOM 902 CA SER A 65 6.782 -17.204 -5.715 1.00 63.25 C ATOM 903 C SER A 65 5.760 -16.976 -6.839 1.00 51.54 C ATOM 904 O SER A 65 5.214 -17.948 -7.360 1.00 72.03 O ATOM 905 CB SER A 65 6.132 -17.889 -4.503 1.00 53.55 C ATOM 906 OG SER A 65 6.667 -19.183 -4.317 1.00 24.44 O ATOM 0 H SER A 65 6.997 -15.584 -4.430 1.00 23.01 H new ATOM 0 HA SER A 65 7.550 -17.852 -6.138 1.00 63.25 H new ATOM 0 HB2 SER A 65 6.297 -17.289 -3.608 1.00 53.55 H new ATOM 0 HB3 SER A 65 5.054 -17.953 -4.650 1.00 53.55 H new ATOM 0 HG SER A 65 6.243 -19.604 -3.540 1.00 24.44 H new ATOM 911 N GLY A 66 5.493 -15.729 -7.238 1.00 24.42 N ATOM 912 CA GLY A 66 4.577 -15.415 -8.323 1.00 65.42 C ATOM 913 C GLY A 66 3.118 -15.298 -7.875 1.00 70.42 C ATOM 914 O GLY A 66 2.253 -15.097 -8.732 1.00 3.10 O ATOM 0 H GLY A 66 5.914 -14.905 -6.808 1.00 24.42 H new ATOM 0 HA2 GLY A 66 4.883 -14.477 -8.786 1.00 65.42 H new ATOM 0 HA3 GLY A 66 4.653 -16.188 -9.088 1.00 65.42 H new ATOM 918 N GLU A 67 2.815 -15.382 -6.573 1.00 64.44 N ATOM 919 CA GLU A 67 1.447 -15.225 -6.095 1.00 65.11 C ATOM 920 C GLU A 67 1.129 -13.751 -6.128 1.00 30.24 C ATOM 921 O GLU A 67 1.991 -12.918 -5.852 1.00 31.02 O ATOM 922 CB GLU A 67 1.297 -15.715 -4.654 1.00 41.25 C ATOM 923 CG GLU A 67 1.198 -17.236 -4.574 1.00 43.21 C ATOM 924 CD GLU A 67 1.603 -17.697 -3.182 1.00 62.21 C ATOM 925 OE1 GLU A 67 0.935 -17.334 -2.192 1.00 12.14 O ATOM 926 OE2 GLU A 67 2.657 -18.366 -3.082 1.00 31.40 O ATOM 0 H GLU A 67 3.501 -15.557 -5.839 1.00 64.44 H new ATOM 0 HA GLU A 67 0.777 -15.809 -6.725 1.00 65.11 H new ATOM 0 HB2 GLU A 67 2.149 -15.376 -4.065 1.00 41.25 H new ATOM 0 HB3 GLU A 67 0.406 -15.270 -4.211 1.00 41.25 H new ATOM 0 HG2 GLU A 67 0.180 -17.557 -4.793 1.00 43.21 H new ATOM 0 HG3 GLU A 67 1.845 -17.693 -5.323 1.00 43.21 H new ATOM 931 N LYS A 68 -0.104 -13.415 -6.457 1.00 54.13 N ATOM 932 CA LYS A 68 -0.581 -12.062 -6.505 1.00 3.42 C ATOM 933 C LYS A 68 -1.349 -11.805 -5.228 1.00 64.04 C ATOM 934 O LYS A 68 -1.989 -12.695 -4.661 1.00 54.11 O ATOM 935 CB LYS A 68 -1.446 -11.923 -7.755 1.00 50.41 C ATOM 936 CG LYS A 68 -1.687 -10.462 -8.133 1.00 13.52 C ATOM 937 CD LYS A 68 -2.272 -10.369 -9.546 1.00 1.40 C ATOM 938 CE LYS A 68 -1.706 -9.179 -10.319 1.00 72.23 C ATOM 939 NZ LYS A 68 -1.773 -9.424 -11.771 1.00 13.44 N ATOM 0 H LYS A 68 -0.816 -14.103 -6.704 1.00 54.13 H new ATOM 0 HA LYS A 68 0.220 -11.326 -6.569 1.00 3.42 H new ATOM 0 HB2 LYS A 68 -0.964 -12.437 -8.587 1.00 50.41 H new ATOM 0 HB3 LYS A 68 -2.404 -12.416 -7.588 1.00 50.41 H new ATOM 0 HG2 LYS A 68 -2.369 -10.002 -7.418 1.00 13.52 H new ATOM 0 HG3 LYS A 68 -0.750 -9.907 -8.082 1.00 13.52 H new ATOM 0 HD2 LYS A 68 -2.058 -11.290 -10.089 1.00 1.40 H new ATOM 0 HD3 LYS A 68 -3.357 -10.280 -9.485 1.00 1.40 H new ATOM 0 HE2 LYS A 68 -2.266 -8.278 -10.071 1.00 72.23 H new ATOM 0 HE3 LYS A 68 -0.672 -9.004 -10.022 1.00 72.23 H new ATOM 0 HZ1 LYS A 68 -1.384 -8.605 -12.280 1.00 13.44 H new ATOM 0 HZ2 LYS A 68 -1.219 -10.272 -12.006 1.00 13.44 H new ATOM 0 HZ3 LYS A 68 -2.763 -9.568 -12.053 1.00 13.44 H new ATOM 949 N PHE A 69 -1.289 -10.566 -4.790 1.00 33.14 N ATOM 950 CA PHE A 69 -2.112 -10.060 -3.712 1.00 11.23 C ATOM 951 C PHE A 69 -2.746 -8.754 -4.166 1.00 73.05 C ATOM 952 O PHE A 69 -2.131 -8.002 -4.932 1.00 10.42 O ATOM 953 CB PHE A 69 -1.238 -9.934 -2.462 1.00 63.04 C ATOM 954 CG PHE A 69 0.040 -9.146 -2.673 1.00 13.54 C ATOM 955 CD1 PHE A 69 0.012 -7.742 -2.579 1.00 65.34 C ATOM 956 CD2 PHE A 69 1.246 -9.801 -3.001 1.00 31.30 C ATOM 957 CE1 PHE A 69 1.180 -6.987 -2.751 1.00 52.25 C ATOM 958 CE2 PHE A 69 2.417 -9.043 -3.158 1.00 44.43 C ATOM 959 CZ PHE A 69 2.396 -7.642 -3.012 1.00 11.34 C ATOM 0 H PHE A 69 -0.655 -9.869 -5.180 1.00 33.14 H new ATOM 0 HA PHE A 69 -2.932 -10.731 -3.455 1.00 11.23 H new ATOM 0 HB2 PHE A 69 -1.819 -9.457 -1.673 1.00 63.04 H new ATOM 0 HB3 PHE A 69 -0.981 -10.933 -2.110 1.00 63.04 H new ATOM 0 HD1 PHE A 69 -0.922 -7.240 -2.372 1.00 65.34 H new ATOM 0 HD2 PHE A 69 1.268 -10.873 -3.130 1.00 31.30 H new ATOM 0 HE1 PHE A 69 1.146 -5.910 -2.684 1.00 52.25 H new ATOM 0 HE2 PHE A 69 3.346 -9.540 -3.394 1.00 44.43 H new ATOM 0 HZ PHE A 69 3.310 -7.074 -3.100 1.00 11.34 H new ATOM 968 N THR A 70 -3.961 -8.480 -3.691 1.00 3.40 N ATOM 969 CA THR A 70 -4.687 -7.253 -3.986 1.00 25.11 C ATOM 970 C THR A 70 -5.147 -6.600 -2.681 1.00 10.22 C ATOM 971 O THR A 70 -5.364 -7.281 -1.681 1.00 14.10 O ATOM 972 CB THR A 70 -5.873 -7.514 -4.941 1.00 30.22 C ATOM 973 OG1 THR A 70 -6.525 -8.770 -4.807 1.00 54.51 O ATOM 974 CG2 THR A 70 -5.477 -7.371 -6.410 1.00 53.31 C ATOM 0 H THR A 70 -4.473 -9.117 -3.081 1.00 3.40 H new ATOM 0 HA THR A 70 -4.017 -6.565 -4.501 1.00 25.11 H new ATOM 0 HB THR A 70 -6.579 -6.743 -4.632 1.00 30.22 H new ATOM 0 HG1 THR A 70 -7.258 -8.829 -5.455 1.00 54.51 H new ATOM 0 HG21 THR A 70 -6.344 -7.564 -7.041 1.00 53.31 H new ATOM 0 HG22 THR A 70 -5.114 -6.360 -6.592 1.00 53.31 H new ATOM 0 HG23 THR A 70 -4.690 -8.087 -6.646 1.00 53.31 H new ATOM 982 N GLY A 71 -5.297 -5.275 -2.693 1.00 1.24 N ATOM 983 CA GLY A 71 -5.669 -4.503 -1.508 1.00 71.45 C ATOM 984 C GLY A 71 -7.178 -4.441 -1.302 1.00 13.11 C ATOM 985 O GLY A 71 -7.736 -5.071 -0.412 1.00 23.13 O ATOM 0 H GLY A 71 -5.163 -4.705 -3.528 1.00 1.24 H new ATOM 0 HA2 GLY A 71 -5.203 -4.947 -0.628 1.00 71.45 H new ATOM 0 HA3 GLY A 71 -5.276 -3.490 -1.600 1.00 71.45 H new ATOM 989 N HIS A 72 -7.817 -3.648 -2.157 1.00 51.15 N ATOM 990 CA HIS A 72 -9.196 -3.184 -2.152 1.00 21.31 C ATOM 991 C HIS A 72 -9.672 -2.711 -0.780 1.00 62.14 C ATOM 992 O HIS A 72 -10.277 -3.466 -0.013 1.00 71.31 O ATOM 993 CB HIS A 72 -10.152 -4.202 -2.792 1.00 70.12 C ATOM 994 CG HIS A 72 -9.716 -4.631 -4.159 1.00 21.14 C ATOM 995 ND1 HIS A 72 -9.837 -3.884 -5.309 1.00 71.32 N ATOM 996 CD2 HIS A 72 -9.000 -5.760 -4.444 1.00 63.02 C ATOM 997 CE1 HIS A 72 -9.173 -4.538 -6.273 1.00 13.12 C ATOM 998 NE2 HIS A 72 -8.625 -5.664 -5.788 1.00 11.20 N ATOM 0 H HIS A 72 -7.319 -3.273 -2.964 1.00 51.15 H new ATOM 0 HA HIS A 72 -9.214 -2.296 -2.784 1.00 21.31 H new ATOM 0 HB2 HIS A 72 -10.226 -5.078 -2.148 1.00 70.12 H new ATOM 0 HB3 HIS A 72 -11.150 -3.767 -2.854 1.00 70.12 H new ATOM 0 HD2 HIS A 72 -8.769 -6.567 -3.765 1.00 63.02 H new ATOM 0 HE1 HIS A 72 -9.090 -4.205 -7.297 1.00 13.12 H new ATOM 0 HE2 HIS A 72 -8.044 -6.325 -6.303 1.00 11.20 H new ATOM 1005 N PHE A 73 -9.464 -1.424 -0.513 1.00 45.31 N ATOM 1006 CA PHE A 73 -9.769 -0.750 0.733 1.00 34.12 C ATOM 1007 C PHE A 73 -10.666 0.449 0.465 1.00 41.21 C ATOM 1008 O PHE A 73 -10.457 1.193 -0.504 1.00 31.41 O ATOM 1009 CB PHE A 73 -8.459 -0.293 1.379 1.00 31.21 C ATOM 1010 CG PHE A 73 -7.448 -1.402 1.533 1.00 11.12 C ATOM 1011 CD1 PHE A 73 -7.803 -2.535 2.279 1.00 50.43 C ATOM 1012 CD2 PHE A 73 -6.173 -1.311 0.943 1.00 63.25 C ATOM 1013 CE1 PHE A 73 -6.871 -3.562 2.475 1.00 72.32 C ATOM 1014 CE2 PHE A 73 -5.227 -2.326 1.165 1.00 22.24 C ATOM 1015 CZ PHE A 73 -5.583 -3.445 1.937 1.00 12.12 C ATOM 0 H PHE A 73 -9.055 -0.794 -1.203 1.00 45.31 H new ATOM 0 HA PHE A 73 -10.291 -1.431 1.405 1.00 34.12 H new ATOM 0 HB2 PHE A 73 -8.024 0.504 0.776 1.00 31.21 H new ATOM 0 HB3 PHE A 73 -8.675 0.131 2.360 1.00 31.21 H new ATOM 0 HD1 PHE A 73 -8.794 -2.616 2.702 1.00 50.43 H new ATOM 0 HD2 PHE A 73 -5.923 -0.464 0.322 1.00 63.25 H new ATOM 0 HE1 PHE A 73 -7.145 -4.441 3.039 1.00 72.32 H new ATOM 0 HE2 PHE A 73 -4.235 -2.247 0.746 1.00 22.24 H new ATOM 0 HZ PHE A 73 -4.856 -4.223 2.117 1.00 12.12 H new ATOM 1024 N LYS A 74 -11.632 0.659 1.355 1.00 4.21 N ATOM 1025 CA LYS A 74 -12.614 1.739 1.301 1.00 23.10 C ATOM 1026 C LYS A 74 -12.746 2.345 2.694 1.00 50.15 C ATOM 1027 O LYS A 74 -12.326 1.733 3.681 1.00 43.35 O ATOM 1028 CB LYS A 74 -13.963 1.185 0.803 1.00 23.01 C ATOM 1029 CG LYS A 74 -13.970 0.962 -0.715 1.00 14.23 C ATOM 1030 CD LYS A 74 -15.113 0.030 -1.139 1.00 34.20 C ATOM 1031 CE LYS A 74 -15.011 -0.234 -2.642 1.00 5.54 C ATOM 1032 NZ LYS A 74 -16.006 -1.216 -3.114 1.00 70.34 N ATOM 0 H LYS A 74 -11.757 0.056 2.168 1.00 4.21 H new ATOM 0 HA LYS A 74 -12.293 2.516 0.607 1.00 23.10 H new ATOM 0 HB2 LYS A 74 -14.176 0.243 1.308 1.00 23.01 H new ATOM 0 HB3 LYS A 74 -14.760 1.878 1.071 1.00 23.01 H new ATOM 0 HG2 LYS A 74 -14.072 1.920 -1.225 1.00 14.23 H new ATOM 0 HG3 LYS A 74 -13.016 0.535 -1.026 1.00 14.23 H new ATOM 0 HD2 LYS A 74 -15.057 -0.909 -0.588 1.00 34.20 H new ATOM 0 HD3 LYS A 74 -16.076 0.483 -0.901 1.00 34.20 H new ATOM 0 HE2 LYS A 74 -15.146 0.703 -3.182 1.00 5.54 H new ATOM 0 HE3 LYS A 74 -14.010 -0.595 -2.877 1.00 5.54 H new ATOM 0 HZ1 LYS A 74 -15.894 -1.359 -4.138 1.00 70.34 H new ATOM 0 HZ2 LYS A 74 -15.862 -2.120 -2.621 1.00 70.34 H new ATOM 0 HZ3 LYS A 74 -16.964 -0.862 -2.916 1.00 70.34 H new ATOM 1042 N GLY A 75 -13.298 3.554 2.751 1.00 71.13 N ATOM 1043 CA GLY A 75 -13.504 4.295 3.979 1.00 24.44 C ATOM 1044 C GLY A 75 -12.201 4.695 4.632 1.00 1.34 C ATOM 1045 O GLY A 75 -11.977 4.423 5.811 1.00 74.12 O ATOM 0 H GLY A 75 -13.620 4.052 1.921 1.00 71.13 H new ATOM 0 HA2 GLY A 75 -14.091 5.189 3.768 1.00 24.44 H new ATOM 0 HA3 GLY A 75 -14.085 3.689 4.674 1.00 24.44 H new ATOM 1049 N LEU A 76 -11.330 5.330 3.854 1.00 72.23 N ATOM 1050 CA LEU A 76 -10.024 5.730 4.351 1.00 73.13 C ATOM 1051 C LEU A 76 -10.163 7.118 4.978 1.00 50.55 C ATOM 1052 O LEU A 76 -10.895 7.972 4.459 1.00 64.05 O ATOM 1053 CB LEU A 76 -9.037 5.728 3.183 1.00 10.14 C ATOM 1054 CG LEU A 76 -8.579 4.368 2.640 1.00 32.12 C ATOM 1055 CD1 LEU A 76 -7.339 3.877 3.376 1.00 53.51 C ATOM 1056 CD2 LEU A 76 -9.600 3.240 2.605 1.00 34.21 C ATOM 0 H LEU A 76 -11.507 5.577 2.880 1.00 72.23 H new ATOM 0 HA LEU A 76 -9.649 5.042 5.109 1.00 73.13 H new ATOM 0 HB2 LEU A 76 -9.489 6.283 2.361 1.00 10.14 H new ATOM 0 HB3 LEU A 76 -8.150 6.282 3.492 1.00 10.14 H new ATOM 0 HG LEU A 76 -8.379 4.596 1.593 1.00 32.12 H new ATOM 0 HD11 LEU A 76 -7.035 2.911 2.972 1.00 53.51 H new ATOM 0 HD12 LEU A 76 -6.530 4.596 3.246 1.00 53.51 H new ATOM 0 HD13 LEU A 76 -7.564 3.772 4.437 1.00 53.51 H new ATOM 0 HD21 LEU A 76 -9.136 2.342 2.198 1.00 34.21 H new ATOM 0 HD22 LEU A 76 -9.955 3.039 3.616 1.00 34.21 H new ATOM 0 HD23 LEU A 76 -10.441 3.530 1.976 1.00 34.21 H new ATOM 1067 N VAL A 77 -9.452 7.359 6.076 1.00 74.32 N ATOM 1068 CA VAL A 77 -9.447 8.623 6.806 1.00 71.03 C ATOM 1069 C VAL A 77 -8.042 8.958 7.289 1.00 12.40 C ATOM 1070 O VAL A 77 -7.171 8.086 7.377 1.00 34.10 O ATOM 1071 CB VAL A 77 -10.431 8.595 7.990 1.00 70.44 C ATOM 1072 CG1 VAL A 77 -11.860 8.723 7.471 1.00 3.12 C ATOM 1073 CG2 VAL A 77 -10.282 7.348 8.875 1.00 70.45 C ATOM 0 H VAL A 77 -8.843 6.656 6.496 1.00 74.32 H new ATOM 0 HA VAL A 77 -9.776 9.402 6.118 1.00 71.03 H new ATOM 0 HB VAL A 77 -10.191 9.445 8.629 1.00 70.44 H new ATOM 0 HG11 VAL A 77 -12.555 8.703 8.310 1.00 3.12 H new ATOM 0 HG12 VAL A 77 -11.969 9.664 6.932 1.00 3.12 H new ATOM 0 HG13 VAL A 77 -12.079 7.893 6.799 1.00 3.12 H new ATOM 0 HG21 VAL A 77 -11.005 7.392 9.690 1.00 70.45 H new ATOM 0 HG22 VAL A 77 -10.462 6.454 8.278 1.00 70.45 H new ATOM 0 HG23 VAL A 77 -9.273 7.312 9.286 1.00 70.45 H new ATOM 1083 N GLY A 78 -7.819 10.230 7.612 1.00 70.04 N ATOM 1084 CA GLY A 78 -6.496 10.736 7.910 1.00 54.25 C ATOM 1085 C GLY A 78 -5.734 11.042 6.612 1.00 51.25 C ATOM 1086 O GLY A 78 -6.125 10.612 5.518 1.00 24.41 O ATOM 0 H GLY A 78 -8.556 10.933 7.672 1.00 70.04 H new ATOM 0 HA2 GLY A 78 -6.573 11.639 8.515 1.00 54.25 H new ATOM 0 HA3 GLY A 78 -5.944 10.004 8.499 1.00 54.25 H new ATOM 1090 N LYS A 79 -4.649 11.811 6.709 1.00 52.42 N ATOM 1091 CA LYS A 79 -3.893 12.355 5.574 1.00 61.35 C ATOM 1092 C LYS A 79 -2.555 11.631 5.395 1.00 43.22 C ATOM 1093 O LYS A 79 -1.636 12.130 4.742 1.00 52.53 O ATOM 1094 CB LYS A 79 -3.752 13.875 5.733 1.00 62.13 C ATOM 1095 CG LYS A 79 -3.670 14.575 4.364 1.00 31.10 C ATOM 1096 CD LYS A 79 -3.409 16.074 4.534 1.00 73.45 C ATOM 1097 CE LYS A 79 -1.951 16.335 4.914 1.00 74.01 C ATOM 1098 NZ LYS A 79 -1.827 17.560 5.722 1.00 5.14 N ATOM 0 H LYS A 79 -4.256 12.083 7.610 1.00 52.42 H new ATOM 0 HA LYS A 79 -4.441 12.176 4.649 1.00 61.35 H new ATOM 0 HB2 LYS A 79 -4.602 14.265 6.293 1.00 62.13 H new ATOM 0 HB3 LYS A 79 -2.858 14.101 6.314 1.00 62.13 H new ATOM 0 HG2 LYS A 79 -2.874 14.128 3.769 1.00 31.10 H new ATOM 0 HG3 LYS A 79 -4.600 14.423 3.817 1.00 31.10 H new ATOM 0 HD2 LYS A 79 -3.646 16.596 3.607 1.00 73.45 H new ATOM 0 HD3 LYS A 79 -4.067 16.477 5.304 1.00 73.45 H new ATOM 0 HE2 LYS A 79 -1.560 15.485 5.473 1.00 74.01 H new ATOM 0 HE3 LYS A 79 -1.347 16.428 4.011 1.00 74.01 H new ATOM 0 HZ1 LYS A 79 -0.828 17.715 5.967 1.00 5.14 H new ATOM 0 HZ2 LYS A 79 -2.180 18.373 5.177 1.00 5.14 H new ATOM 0 HZ3 LYS A 79 -2.385 17.459 6.594 1.00 5.14 H new ATOM 1108 N ASP A 80 -2.462 10.427 5.940 1.00 24.03 N ATOM 1109 CA ASP A 80 -1.468 9.420 5.633 1.00 24.24 C ATOM 1110 C ASP A 80 -2.163 8.072 5.600 1.00 43.33 C ATOM 1111 O ASP A 80 -3.318 7.932 6.009 1.00 31.21 O ATOM 1112 CB ASP A 80 -0.329 9.374 6.653 1.00 33.03 C ATOM 1113 CG ASP A 80 -0.786 9.040 8.072 1.00 30.14 C ATOM 1114 OD1 ASP A 80 -1.407 9.904 8.734 1.00 52.32 O ATOM 1115 OD2 ASP A 80 -0.471 7.928 8.556 1.00 74.02 O ATOM 0 H ASP A 80 -3.121 10.112 6.652 1.00 24.03 H new ATOM 0 HA ASP A 80 -1.019 9.670 4.672 1.00 24.24 H new ATOM 0 HB2 ASP A 80 0.403 8.633 6.333 1.00 33.03 H new ATOM 0 HB3 ASP A 80 0.178 10.339 6.662 1.00 33.03 H new ATOM 1119 N THR A 81 -1.464 7.077 5.071 1.00 23.23 N ATOM 1120 CA THR A 81 -1.894 5.691 5.000 1.00 10.40 C ATOM 1121 C THR A 81 -0.617 4.849 5.002 1.00 31.13 C ATOM 1122 O THR A 81 0.427 5.290 4.511 1.00 14.51 O ATOM 1123 CB THR A 81 -2.711 5.528 3.705 1.00 53.12 C ATOM 1124 OG1 THR A 81 -3.745 6.489 3.608 1.00 50.15 O ATOM 1125 CG2 THR A 81 -3.374 4.163 3.621 1.00 2.41 C ATOM 0 H THR A 81 -0.541 7.223 4.662 1.00 23.23 H new ATOM 0 HA THR A 81 -2.525 5.378 5.832 1.00 10.40 H new ATOM 0 HB THR A 81 -1.993 5.656 2.895 1.00 53.12 H new ATOM 0 HG1 THR A 81 -4.240 6.354 2.773 1.00 50.15 H new ATOM 0 HG21 THR A 81 -3.940 4.090 2.692 1.00 2.41 H new ATOM 0 HG22 THR A 81 -2.610 3.386 3.642 1.00 2.41 H new ATOM 0 HG23 THR A 81 -4.048 4.033 4.468 1.00 2.41 H new ATOM 1133 N ARG A 82 -0.662 3.621 5.513 1.00 71.43 N ATOM 1134 CA ARG A 82 0.432 2.661 5.357 1.00 30.41 C ATOM 1135 C ARG A 82 -0.170 1.349 4.920 1.00 52.52 C ATOM 1136 O ARG A 82 -1.378 1.174 5.063 1.00 4.41 O ATOM 1137 CB ARG A 82 1.249 2.466 6.647 1.00 61.11 C ATOM 1138 CG ARG A 82 1.615 3.793 7.302 1.00 71.31 C ATOM 1139 CD ARG A 82 2.557 3.679 8.510 1.00 50.04 C ATOM 1140 NE ARG A 82 2.289 4.719 9.525 1.00 72.44 N ATOM 1141 CZ ARG A 82 1.938 5.998 9.315 1.00 71.11 C ATOM 1142 NH1 ARG A 82 2.131 6.591 8.144 1.00 52.31 N ATOM 1143 NH2 ARG A 82 1.370 6.698 10.286 1.00 70.43 N ATOM 0 H ARG A 82 -1.455 3.262 6.046 1.00 71.43 H new ATOM 0 HA ARG A 82 1.130 3.047 4.614 1.00 30.41 H new ATOM 0 HB2 ARG A 82 0.676 1.861 7.350 1.00 61.11 H new ATOM 0 HB3 ARG A 82 2.160 1.912 6.418 1.00 61.11 H new ATOM 0 HG2 ARG A 82 2.082 4.434 6.554 1.00 71.31 H new ATOM 0 HG3 ARG A 82 0.698 4.290 7.620 1.00 71.31 H new ATOM 0 HD2 ARG A 82 2.447 2.694 8.963 1.00 50.04 H new ATOM 0 HD3 ARG A 82 3.590 3.761 8.172 1.00 50.04 H new ATOM 0 HE ARG A 82 2.381 4.432 10.499 1.00 72.44 H new ATOM 0 HH11 ARG A 82 2.556 6.074 7.374 1.00 52.31 H new ATOM 0 HH12 ARG A 82 1.854 7.564 8.013 1.00 52.31 H new ATOM 0 HH21 ARG A 82 1.199 6.265 11.194 1.00 70.43 H new ATOM 0 HH22 ARG A 82 1.104 7.669 10.126 1.00 70.43 H new ATOM 1154 N VAL A 83 0.665 0.436 4.447 1.00 44.14 N ATOM 1155 CA VAL A 83 0.254 -0.867 3.976 1.00 72.42 C ATOM 1156 C VAL A 83 1.118 -1.891 4.680 1.00 25.14 C ATOM 1157 O VAL A 83 2.346 -1.806 4.622 1.00 5.31 O ATOM 1158 CB VAL A 83 0.298 -0.927 2.445 1.00 51.14 C ATOM 1159 CG1 VAL A 83 -0.204 -2.281 1.942 1.00 63.05 C ATOM 1160 CG2 VAL A 83 -0.559 0.173 1.792 1.00 45.13 C ATOM 0 H VAL A 83 1.671 0.590 4.381 1.00 44.14 H new ATOM 0 HA VAL A 83 -0.786 -1.086 4.220 1.00 72.42 H new ATOM 0 HB VAL A 83 1.340 -0.776 2.165 1.00 51.14 H new ATOM 0 HG11 VAL A 83 -0.164 -2.302 0.853 1.00 63.05 H new ATOM 0 HG12 VAL A 83 0.426 -3.075 2.343 1.00 63.05 H new ATOM 0 HG13 VAL A 83 -1.232 -2.433 2.271 1.00 63.05 H new ATOM 0 HG21 VAL A 83 -0.495 0.088 0.707 1.00 45.13 H new ATOM 0 HG22 VAL A 83 -1.597 0.059 2.104 1.00 45.13 H new ATOM 0 HG23 VAL A 83 -0.192 1.152 2.102 1.00 45.13 H new ATOM 1170 N PHE A 84 0.459 -2.809 5.385 1.00 73.13 N ATOM 1171 CA PHE A 84 1.081 -3.926 6.079 1.00 50.21 C ATOM 1172 C PHE A 84 0.773 -5.175 5.260 1.00 52.43 C ATOM 1173 O PHE A 84 -0.317 -5.733 5.358 1.00 25.12 O ATOM 1174 CB PHE A 84 0.559 -4.009 7.528 1.00 10.23 C ATOM 1175 CG PHE A 84 0.876 -2.840 8.458 1.00 52.15 C ATOM 1176 CD1 PHE A 84 1.921 -1.936 8.189 1.00 41.12 C ATOM 1177 CD2 PHE A 84 0.126 -2.671 9.636 1.00 14.30 C ATOM 1178 CE1 PHE A 84 2.180 -0.853 9.049 1.00 71.23 C ATOM 1179 CE2 PHE A 84 0.402 -1.607 10.514 1.00 62.33 C ATOM 1180 CZ PHE A 84 1.412 -0.680 10.210 1.00 31.34 C ATOM 0 H PHE A 84 -0.555 -2.792 5.490 1.00 73.13 H new ATOM 0 HA PHE A 84 2.161 -3.809 6.162 1.00 50.21 H new ATOM 0 HB2 PHE A 84 -0.524 -4.124 7.490 1.00 10.23 H new ATOM 0 HB3 PHE A 84 0.960 -4.916 7.979 1.00 10.23 H new ATOM 0 HD1 PHE A 84 2.533 -2.076 7.310 1.00 41.12 H new ATOM 0 HD2 PHE A 84 -0.669 -3.364 9.868 1.00 14.30 H new ATOM 0 HE1 PHE A 84 2.970 -0.155 8.815 1.00 71.23 H new ATOM 0 HE2 PHE A 84 -0.166 -1.503 11.427 1.00 62.33 H new ATOM 0 HZ PHE A 84 1.596 0.159 10.865 1.00 31.34 H new ATOM 1189 N ILE A 85 1.697 -5.576 4.387 1.00 25.41 N ATOM 1190 CA ILE A 85 1.581 -6.859 3.697 1.00 25.01 C ATOM 1191 C ILE A 85 1.874 -7.918 4.762 1.00 50.44 C ATOM 1192 O ILE A 85 2.880 -7.778 5.462 1.00 41.22 O ATOM 1193 CB ILE A 85 2.548 -6.955 2.492 1.00 42.35 C ATOM 1194 CG1 ILE A 85 2.468 -5.702 1.587 1.00 74.24 C ATOM 1195 CG2 ILE A 85 2.207 -8.204 1.655 1.00 2.11 C ATOM 1196 CD1 ILE A 85 3.494 -5.686 0.445 1.00 33.11 C ATOM 0 H ILE A 85 2.527 -5.036 4.143 1.00 25.41 H new ATOM 0 HA ILE A 85 0.589 -6.996 3.266 1.00 25.01 H new ATOM 0 HB ILE A 85 3.562 -7.024 2.886 1.00 42.35 H new ATOM 0 HG12 ILE A 85 1.466 -5.638 1.162 1.00 74.24 H new ATOM 0 HG13 ILE A 85 2.611 -4.813 2.202 1.00 74.24 H new ATOM 0 HG21 ILE A 85 2.888 -8.271 0.807 1.00 2.11 H new ATOM 0 HG22 ILE A 85 2.309 -9.096 2.274 1.00 2.11 H new ATOM 0 HG23 ILE A 85 1.182 -8.130 1.292 1.00 2.11 H new ATOM 0 HD11 ILE A 85 3.371 -4.776 -0.142 1.00 33.11 H new ATOM 0 HD12 ILE A 85 4.501 -5.717 0.860 1.00 33.11 H new ATOM 0 HD13 ILE A 85 3.339 -6.554 -0.196 1.00 33.11 H new ATOM 1207 N GLU A 86 1.005 -8.919 4.881 1.00 64.13 N ATOM 1208 CA GLU A 86 1.090 -10.090 5.753 1.00 14.31 C ATOM 1209 C GLU A 86 0.443 -11.285 5.029 1.00 62.32 C ATOM 1210 O GLU A 86 -0.017 -11.170 3.885 1.00 25.11 O ATOM 1211 CB GLU A 86 0.384 -9.841 7.103 1.00 21.52 C ATOM 1212 CG GLU A 86 1.047 -8.764 7.972 1.00 43.32 C ATOM 1213 CD GLU A 86 0.809 -8.983 9.474 1.00 45.01 C ATOM 1214 OE1 GLU A 86 -0.350 -9.223 9.893 1.00 71.45 O ATOM 1215 OE2 GLU A 86 1.803 -8.951 10.237 1.00 74.33 O ATOM 0 H GLU A 86 0.151 -8.934 4.323 1.00 64.13 H new ATOM 0 HA GLU A 86 2.138 -10.298 5.968 1.00 14.31 H new ATOM 0 HB2 GLU A 86 -0.649 -9.552 6.912 1.00 21.52 H new ATOM 0 HB3 GLU A 86 0.355 -10.776 7.663 1.00 21.52 H new ATOM 0 HG2 GLU A 86 2.119 -8.754 7.776 1.00 43.32 H new ATOM 0 HG3 GLU A 86 0.662 -7.785 7.686 1.00 43.32 H new ATOM 1220 N LEU A 87 0.436 -12.444 5.690 1.00 22.21 N ATOM 1221 CA LEU A 87 -0.081 -13.707 5.158 1.00 61.35 C ATOM 1222 C LEU A 87 -1.438 -14.041 5.783 1.00 51.03 C ATOM 1223 O LEU A 87 -1.937 -13.297 6.630 1.00 10.33 O ATOM 1224 CB LEU A 87 0.939 -14.855 5.342 1.00 65.41 C ATOM 1225 CG LEU A 87 2.376 -14.474 4.924 1.00 3.03 C ATOM 1226 CD1 LEU A 87 3.415 -15.411 5.544 1.00 64.33 C ATOM 1227 CD2 LEU A 87 2.506 -14.423 3.398 1.00 73.44 C ATOM 0 H LEU A 87 0.801 -12.533 6.638 1.00 22.21 H new ATOM 0 HA LEU A 87 -0.233 -13.589 4.085 1.00 61.35 H new ATOM 0 HB2 LEU A 87 0.943 -15.163 6.388 1.00 65.41 H new ATOM 0 HB3 LEU A 87 0.615 -15.716 4.757 1.00 65.41 H new ATOM 0 HG LEU A 87 2.578 -13.475 5.311 1.00 3.03 H new ATOM 0 HD11 LEU A 87 4.413 -15.109 5.226 1.00 64.33 H new ATOM 0 HD12 LEU A 87 3.350 -15.359 6.631 1.00 64.33 H new ATOM 0 HD13 LEU A 87 3.224 -16.433 5.218 1.00 64.33 H new ATOM 0 HD21 LEU A 87 3.527 -14.153 3.129 1.00 73.44 H new ATOM 0 HD22 LEU A 87 2.267 -15.401 2.980 1.00 73.44 H new ATOM 0 HD23 LEU A 87 1.816 -13.679 2.999 1.00 73.44 H new ATOM 1238 N ASP A 88 -2.053 -15.148 5.363 1.00 70.13 N ATOM 1239 CA ASP A 88 -3.311 -15.677 5.898 1.00 51.15 C ATOM 1240 C ASP A 88 -3.127 -17.076 6.492 1.00 24.50 C ATOM 1241 O ASP A 88 -2.012 -17.606 6.525 1.00 52.23 O ATOM 1242 CB ASP A 88 -4.401 -15.678 4.821 1.00 2.22 C ATOM 1243 CG ASP A 88 -5.758 -15.378 5.442 1.00 4.50 C ATOM 1244 OD1 ASP A 88 -6.024 -14.190 5.747 1.00 23.24 O ATOM 1245 OD2 ASP A 88 -6.516 -16.336 5.697 1.00 23.31 O ATOM 0 H ASP A 88 -1.674 -15.724 4.611 1.00 70.13 H new ATOM 0 HA ASP A 88 -3.629 -15.019 6.707 1.00 51.15 H new ATOM 0 HB2 ASP A 88 -4.170 -14.934 4.059 1.00 2.22 H new ATOM 0 HB3 ASP A 88 -4.428 -16.647 4.322 1.00 2.22 H new ATOM 1249 N GLU A 89 -4.217 -17.690 6.962 1.00 32.33 N ATOM 1250 CA GLU A 89 -4.198 -18.887 7.791 1.00 23.54 C ATOM 1251 C GLU A 89 -3.488 -20.068 7.116 1.00 3.30 C ATOM 1252 O GLU A 89 -2.720 -20.763 7.785 1.00 73.11 O ATOM 1253 CB GLU A 89 -5.623 -19.226 8.265 1.00 54.42 C ATOM 1254 CG GLU A 89 -6.572 -19.707 7.160 1.00 65.21 C ATOM 1255 CD GLU A 89 -8.009 -19.934 7.648 1.00 1.34 C ATOM 1256 OE1 GLU A 89 -8.501 -19.234 8.565 1.00 54.41 O ATOM 1257 OE2 GLU A 89 -8.691 -20.830 7.112 1.00 61.15 O ATOM 0 H GLU A 89 -5.160 -17.354 6.768 1.00 32.33 H new ATOM 0 HA GLU A 89 -3.598 -18.675 8.676 1.00 23.54 H new ATOM 0 HB2 GLU A 89 -5.561 -19.997 9.033 1.00 54.42 H new ATOM 0 HB3 GLU A 89 -6.054 -18.342 8.735 1.00 54.42 H new ATOM 0 HG2 GLU A 89 -6.581 -18.973 6.354 1.00 65.21 H new ATOM 0 HG3 GLU A 89 -6.188 -20.636 6.740 1.00 65.21 H new ATOM 1262 N ASN A 90 -3.640 -20.250 5.799 1.00 12.20 N ATOM 1263 CA ASN A 90 -2.972 -21.309 5.039 1.00 41.31 C ATOM 1264 C ASN A 90 -1.792 -20.727 4.257 1.00 25.13 C ATOM 1265 O ASN A 90 -1.549 -21.118 3.113 1.00 22.20 O ATOM 1266 CB ASN A 90 -3.937 -22.040 4.096 1.00 30.31 C ATOM 1267 CG ASN A 90 -5.101 -22.739 4.770 1.00 22.20 C ATOM 1268 OD1 ASN A 90 -5.005 -23.229 5.893 1.00 65.23 O ATOM 1269 ND2 ASN A 90 -6.223 -22.807 4.081 1.00 43.41 N ATOM 0 H ASN A 90 -4.239 -19.657 5.225 1.00 12.20 H new ATOM 0 HA ASN A 90 -2.603 -22.046 5.752 1.00 41.31 H new ATOM 0 HB2 ASN A 90 -4.333 -21.320 3.380 1.00 30.31 H new ATOM 0 HB3 ASN A 90 -3.372 -22.778 3.527 1.00 30.31 H new ATOM 0 HD21 ASN A 90 -7.038 -23.275 4.478 1.00 43.41 H new ATOM 0 HD22 ASN A 90 -6.276 -22.392 3.151 1.00 43.41 H new ATOM 1275 N ALA A 91 -1.067 -19.777 4.860 1.00 51.22 N ATOM 1276 CA ALA A 91 0.153 -19.186 4.312 1.00 44.13 C ATOM 1277 C ALA A 91 -0.101 -18.499 2.951 1.00 3.34 C ATOM 1278 O ALA A 91 0.788 -18.442 2.090 1.00 70.14 O ATOM 1279 CB ALA A 91 1.218 -20.300 4.284 1.00 31.54 C ATOM 0 H ALA A 91 -1.323 -19.389 5.768 1.00 51.22 H new ATOM 0 HA ALA A 91 0.520 -18.372 4.937 1.00 44.13 H new ATOM 0 HB1 ALA A 91 2.149 -19.903 3.881 1.00 31.54 H new ATOM 0 HB2 ALA A 91 1.388 -20.666 5.296 1.00 31.54 H new ATOM 0 HB3 ALA A 91 0.871 -21.120 3.655 1.00 31.54 H new ATOM 1285 N ASP A 92 -1.323 -17.998 2.752 1.00 61.31 N ATOM 1286 CA ASP A 92 -1.774 -17.258 1.571 1.00 1.51 C ATOM 1287 C ASP A 92 -1.328 -15.803 1.711 1.00 25.24 C ATOM 1288 O ASP A 92 -0.888 -15.429 2.791 1.00 33.14 O ATOM 1289 CB ASP A 92 -3.306 -17.303 1.472 1.00 71.25 C ATOM 1290 CG ASP A 92 -3.873 -18.715 1.337 1.00 2.50 C ATOM 1291 OD1 ASP A 92 -3.558 -19.388 0.329 1.00 73.13 O ATOM 1292 OD2 ASP A 92 -4.666 -19.160 2.187 1.00 43.51 O ATOM 0 H ASP A 92 -2.063 -18.103 3.446 1.00 61.31 H new ATOM 0 HA ASP A 92 -1.346 -17.707 0.675 1.00 1.51 H new ATOM 0 HB2 ASP A 92 -3.732 -16.833 2.359 1.00 71.25 H new ATOM 0 HB3 ASP A 92 -3.623 -16.710 0.614 1.00 71.25 H new ATOM 1296 N VAL A 93 -1.490 -14.950 0.696 1.00 51.21 N ATOM 1297 CA VAL A 93 -1.051 -13.551 0.759 1.00 30.03 C ATOM 1298 C VAL A 93 -2.240 -12.618 0.594 1.00 31.30 C ATOM 1299 O VAL A 93 -2.942 -12.684 -0.422 1.00 50.21 O ATOM 1300 CB VAL A 93 0.037 -13.246 -0.284 1.00 1.53 C ATOM 1301 CG1 VAL A 93 0.687 -11.887 0.019 1.00 52.11 C ATOM 1302 CG2 VAL A 93 1.130 -14.310 -0.276 1.00 45.23 C ATOM 0 H VAL A 93 -1.927 -15.207 -0.189 1.00 51.21 H new ATOM 0 HA VAL A 93 -0.609 -13.384 1.741 1.00 30.03 H new ATOM 0 HB VAL A 93 -0.443 -13.233 -1.263 1.00 1.53 H new ATOM 0 HG11 VAL A 93 1.457 -11.678 -0.724 1.00 52.11 H new ATOM 0 HG12 VAL A 93 -0.072 -11.105 -0.015 1.00 52.11 H new ATOM 0 HG13 VAL A 93 1.138 -11.912 1.011 1.00 52.11 H new ATOM 0 HG21 VAL A 93 1.883 -14.064 -1.025 1.00 45.23 H new ATOM 0 HG22 VAL A 93 1.596 -14.346 0.709 1.00 45.23 H new ATOM 0 HG23 VAL A 93 0.693 -15.282 -0.506 1.00 45.23 H new ATOM 1312 N GLN A 94 -2.425 -11.740 1.579 1.00 3.41 N ATOM 1313 CA GLN A 94 -3.467 -10.722 1.628 1.00 45.34 C ATOM 1314 C GLN A 94 -2.785 -9.345 1.671 1.00 53.12 C ATOM 1315 O GLN A 94 -1.616 -9.219 1.295 1.00 13.51 O ATOM 1316 CB GLN A 94 -4.409 -10.971 2.817 1.00 2.11 C ATOM 1317 CG GLN A 94 -4.836 -12.427 3.032 1.00 41.14 C ATOM 1318 CD GLN A 94 -5.441 -13.099 1.802 1.00 3.14 C ATOM 1319 OE1 GLN A 94 -6.381 -12.585 1.200 1.00 54.35 O ATOM 1320 NE2 GLN A 94 -4.947 -14.265 1.415 1.00 64.13 N ATOM 0 H GLN A 94 -1.823 -11.720 2.402 1.00 3.41 H new ATOM 0 HA GLN A 94 -4.098 -10.763 0.740 1.00 45.34 H new ATOM 0 HB2 GLN A 94 -3.920 -10.617 3.725 1.00 2.11 H new ATOM 0 HB3 GLN A 94 -5.305 -10.365 2.680 1.00 2.11 H new ATOM 0 HG2 GLN A 94 -3.968 -13.003 3.355 1.00 41.14 H new ATOM 0 HG3 GLN A 94 -5.562 -12.463 3.844 1.00 41.14 H new ATOM 0 HE21 GLN A 94 -4.167 -14.682 1.922 1.00 64.13 H new ATOM 0 HE22 GLN A 94 -5.347 -14.746 0.609 1.00 64.13 H new ATOM 1327 N VAL A 95 -3.523 -8.292 2.030 1.00 24.12 N ATOM 1328 CA VAL A 95 -2.962 -6.982 2.301 1.00 54.32 C ATOM 1329 C VAL A 95 -3.766 -6.403 3.465 1.00 1.41 C ATOM 1330 O VAL A 95 -4.996 -6.436 3.440 1.00 65.43 O ATOM 1331 CB VAL A 95 -3.022 -6.083 1.052 1.00 71.42 C ATOM 1332 CG1 VAL A 95 -2.287 -4.755 1.295 1.00 25.03 C ATOM 1333 CG2 VAL A 95 -2.391 -6.707 -0.197 1.00 1.30 C ATOM 0 H VAL A 95 -4.536 -8.333 2.140 1.00 24.12 H new ATOM 0 HA VAL A 95 -1.906 -7.048 2.563 1.00 54.32 H new ATOM 0 HB VAL A 95 -4.088 -5.937 0.875 1.00 71.42 H new ATOM 0 HG11 VAL A 95 -2.344 -4.138 0.398 1.00 25.03 H new ATOM 0 HG12 VAL A 95 -2.753 -4.228 2.128 1.00 25.03 H new ATOM 0 HG13 VAL A 95 -1.242 -4.955 1.532 1.00 25.03 H new ATOM 0 HG21 VAL A 95 -2.474 -6.012 -1.032 1.00 1.30 H new ATOM 0 HG22 VAL A 95 -1.339 -6.921 -0.005 1.00 1.30 H new ATOM 0 HG23 VAL A 95 -2.910 -7.633 -0.443 1.00 1.30 H new ATOM 1343 N PHE A 96 -3.078 -5.808 4.437 1.00 63.21 N ATOM 1344 CA PHE A 96 -3.660 -5.173 5.609 1.00 63.15 C ATOM 1345 C PHE A 96 -3.167 -3.734 5.716 1.00 70.43 C ATOM 1346 O PHE A 96 -2.275 -3.303 4.977 1.00 51.33 O ATOM 1347 CB PHE A 96 -3.287 -5.989 6.855 1.00 3.53 C ATOM 1348 CG PHE A 96 -3.989 -5.526 8.112 1.00 22.10 C ATOM 1349 CD1 PHE A 96 -5.383 -5.682 8.214 1.00 70.21 C ATOM 1350 CD2 PHE A 96 -3.270 -4.892 9.145 1.00 4.41 C ATOM 1351 CE1 PHE A 96 -6.053 -5.221 9.361 1.00 33.11 C ATOM 1352 CE2 PHE A 96 -3.937 -4.447 10.300 1.00 73.11 C ATOM 1353 CZ PHE A 96 -5.332 -4.608 10.404 1.00 1.13 C ATOM 0 H PHE A 96 -2.059 -5.755 4.426 1.00 63.21 H new ATOM 0 HA PHE A 96 -4.746 -5.146 5.524 1.00 63.15 H new ATOM 0 HB2 PHE A 96 -3.528 -7.037 6.679 1.00 3.53 H new ATOM 0 HB3 PHE A 96 -2.209 -5.931 7.008 1.00 3.53 H new ATOM 0 HD1 PHE A 96 -5.936 -6.154 7.415 1.00 70.21 H new ATOM 0 HD2 PHE A 96 -2.204 -4.748 9.049 1.00 4.41 H new ATOM 0 HE1 PHE A 96 -7.124 -5.337 9.442 1.00 33.11 H new ATOM 0 HE2 PHE A 96 -3.382 -3.984 11.103 1.00 73.11 H new ATOM 0 HZ PHE A 96 -5.850 -4.261 11.286 1.00 1.13 H new ATOM 1362 N ILE A 97 -3.737 -2.967 6.647 1.00 63.44 N ATOM 1363 CA ILE A 97 -3.452 -1.556 6.835 1.00 65.43 C ATOM 1364 C ILE A 97 -3.732 -1.133 8.279 1.00 23.20 C ATOM 1365 O ILE A 97 -4.730 -1.564 8.853 1.00 21.14 O ATOM 1366 CB ILE A 97 -4.329 -0.733 5.861 1.00 42.45 C ATOM 1367 CG1 ILE A 97 -5.788 -1.233 5.738 1.00 1.52 C ATOM 1368 CG2 ILE A 97 -3.705 -0.660 4.462 1.00 22.11 C ATOM 1369 CD1 ILE A 97 -6.573 -0.324 4.800 1.00 14.31 C ATOM 0 H ILE A 97 -4.428 -3.327 7.306 1.00 63.44 H new ATOM 0 HA ILE A 97 -2.397 -1.373 6.629 1.00 65.43 H new ATOM 0 HB ILE A 97 -4.367 0.261 6.307 1.00 42.45 H new ATOM 0 HG12 ILE A 97 -5.800 -2.256 5.361 1.00 1.52 H new ATOM 0 HG13 ILE A 97 -6.259 -1.250 6.721 1.00 1.52 H new ATOM 0 HG21 ILE A 97 -4.349 -0.074 3.806 1.00 22.11 H new ATOM 0 HG22 ILE A 97 -2.725 -0.187 4.525 1.00 22.11 H new ATOM 0 HG23 ILE A 97 -3.597 -1.667 4.059 1.00 22.11 H new ATOM 0 HD11 ILE A 97 -7.599 -0.683 4.719 1.00 14.31 H new ATOM 0 HD12 ILE A 97 -6.574 0.692 5.195 1.00 14.31 H new ATOM 0 HD13 ILE A 97 -6.108 -0.330 3.814 1.00 14.31 H new ATOM 1380 N PRO A 98 -2.928 -0.210 8.844 1.00 74.15 N ATOM 1381 CA PRO A 98 -3.246 0.431 10.108 1.00 50.23 C ATOM 1382 C PRO A 98 -4.371 1.450 9.904 1.00 70.15 C ATOM 1383 O PRO A 98 -4.119 2.628 9.620 1.00 52.23 O ATOM 1384 CB PRO A 98 -1.947 1.075 10.599 1.00 30.30 C ATOM 1385 CG PRO A 98 -1.198 1.365 9.302 1.00 73.21 C ATOM 1386 CD PRO A 98 -1.627 0.232 8.364 1.00 12.43 C ATOM 0 HA PRO A 98 -3.610 -0.274 10.855 1.00 50.23 H new ATOM 0 HB2 PRO A 98 -2.137 1.985 11.168 1.00 30.30 H new ATOM 0 HB3 PRO A 98 -1.385 0.405 11.249 1.00 30.30 H new ATOM 0 HG2 PRO A 98 -1.465 2.341 8.897 1.00 73.21 H new ATOM 0 HG3 PRO A 98 -0.119 1.368 9.456 1.00 73.21 H new ATOM 0 HD2 PRO A 98 -1.688 0.580 7.333 1.00 12.43 H new ATOM 0 HD3 PRO A 98 -0.905 -0.585 8.382 1.00 12.43 H new ATOM 1391 N GLN A 99 -5.614 0.994 9.983 1.00 10.42 N ATOM 1392 CA GLN A 99 -6.795 1.840 10.113 1.00 11.41 C ATOM 1393 C GLN A 99 -7.018 2.120 11.607 1.00 71.21 C ATOM 1394 O GLN A 99 -6.068 2.042 12.394 1.00 64.23 O ATOM 1395 CB GLN A 99 -7.965 1.137 9.406 1.00 64.21 C ATOM 1396 CG GLN A 99 -7.810 1.191 7.879 1.00 22.40 C ATOM 1397 CD GLN A 99 -7.963 2.611 7.326 1.00 61.11 C ATOM 1398 OE1 GLN A 99 -9.071 3.127 7.220 1.00 14.13 O ATOM 1399 NE2 GLN A 99 -6.870 3.278 6.988 1.00 25.00 N ATOM 0 H GLN A 99 -5.836 -0.001 9.958 1.00 10.42 H new ATOM 0 HA GLN A 99 -6.685 2.812 9.632 1.00 11.41 H new ATOM 0 HB2 GLN A 99 -8.018 0.098 9.731 1.00 64.21 H new ATOM 0 HB3 GLN A 99 -8.904 1.610 9.695 1.00 64.21 H new ATOM 0 HG2 GLN A 99 -6.831 0.800 7.602 1.00 22.40 H new ATOM 0 HG3 GLN A 99 -8.555 0.542 7.418 1.00 22.40 H new ATOM 0 HE21 GLN A 99 -5.955 2.838 7.081 1.00 25.00 H new ATOM 0 HE22 GLN A 99 -6.944 4.232 6.635 1.00 25.00 H new ATOM 1406 N GLY A 100 -8.223 2.511 12.012 1.00 32.21 N ATOM 1407 CA GLY A 100 -8.555 2.617 13.424 1.00 21.43 C ATOM 1408 C GLY A 100 -9.803 3.430 13.693 1.00 3.50 C ATOM 1409 O GLY A 100 -10.426 3.238 14.731 1.00 23.31 O ATOM 0 H GLY A 100 -8.984 2.759 11.380 1.00 32.21 H new ATOM 0 HA2 GLY A 100 -8.688 1.616 13.834 1.00 21.43 H new ATOM 0 HA3 GLY A 100 -7.716 3.069 13.953 1.00 21.43 H new ATOM 1413 N GLU A 101 -10.173 4.308 12.763 1.00 2.54 N ATOM 1414 CA GLU A 101 -11.433 5.029 12.800 1.00 12.51 C ATOM 1415 C GLU A 101 -12.172 4.625 11.529 1.00 43.51 C ATOM 1416 O GLU A 101 -12.121 5.319 10.509 1.00 43.55 O ATOM 1417 CB GLU A 101 -11.227 6.546 12.982 1.00 50.34 C ATOM 1418 CG GLU A 101 -10.423 6.893 14.252 1.00 11.42 C ATOM 1419 CD GLU A 101 -10.995 8.092 15.010 1.00 71.24 C ATOM 1420 OE1 GLU A 101 -10.654 9.260 14.705 1.00 22.30 O ATOM 1421 OE2 GLU A 101 -11.764 7.867 15.969 1.00 45.11 O ATOM 0 H GLU A 101 -9.595 4.538 11.954 1.00 2.54 H new ATOM 0 HA GLU A 101 -12.038 4.768 13.668 1.00 12.51 H new ATOM 0 HB2 GLU A 101 -10.709 6.945 12.110 1.00 50.34 H new ATOM 0 HB3 GLU A 101 -12.199 7.037 13.028 1.00 50.34 H new ATOM 0 HG2 GLU A 101 -10.406 6.026 14.913 1.00 11.42 H new ATOM 0 HG3 GLU A 101 -9.390 7.104 13.976 1.00 11.42 H new ATOM 1426 N ILE A 102 -12.732 3.419 11.520 1.00 25.23 N ATOM 1427 CA ILE A 102 -13.489 2.863 10.425 1.00 51.15 C ATOM 1428 C ILE A 102 -14.643 2.057 11.024 1.00 45.31 C ATOM 1429 O ILE A 102 -14.423 1.010 11.639 1.00 73.11 O ATOM 1430 CB ILE A 102 -12.559 2.079 9.468 1.00 31.34 C ATOM 1431 CG1 ILE A 102 -13.443 1.399 8.416 1.00 42.12 C ATOM 1432 CG2 ILE A 102 -11.618 1.068 10.155 1.00 33.03 C ATOM 1433 CD1 ILE A 102 -12.700 1.004 7.136 1.00 71.32 C ATOM 0 H ILE A 102 -12.662 2.783 12.314 1.00 25.23 H new ATOM 0 HA ILE A 102 -13.930 3.633 9.792 1.00 51.15 H new ATOM 0 HB ILE A 102 -11.874 2.794 9.012 1.00 31.34 H new ATOM 0 HG12 ILE A 102 -13.890 0.507 8.854 1.00 42.12 H new ATOM 0 HG13 ILE A 102 -14.261 2.070 8.156 1.00 42.12 H new ATOM 0 HG21 ILE A 102 -11.007 0.570 9.402 1.00 33.03 H new ATOM 0 HG22 ILE A 102 -10.971 1.593 10.858 1.00 33.03 H new ATOM 0 HG23 ILE A 102 -12.210 0.326 10.691 1.00 33.03 H new ATOM 0 HD11 ILE A 102 -13.395 0.529 6.443 1.00 71.32 H new ATOM 0 HD12 ILE A 102 -12.276 1.895 6.672 1.00 71.32 H new ATOM 0 HD13 ILE A 102 -11.899 0.307 7.381 1.00 71.32 H new ATOM 1444 N ASP A 103 -15.863 2.550 10.839 1.00 62.15 N ATOM 1445 CA ASP A 103 -17.095 1.914 11.284 1.00 34.32 C ATOM 1446 C ASP A 103 -18.117 2.063 10.173 1.00 25.01 C ATOM 1447 O ASP A 103 -18.821 3.092 10.100 1.00 34.13 O ATOM 1448 CB ASP A 103 -17.570 2.536 12.604 1.00 5.43 C ATOM 1449 CG ASP A 103 -18.898 1.930 13.051 1.00 30.03 C ATOM 1450 OD1 ASP A 103 -19.037 0.689 13.008 1.00 31.24 O ATOM 1451 OD2 ASP A 103 -19.771 2.693 13.529 1.00 3.30 O ATOM 0 H ASP A 103 -16.025 3.435 10.358 1.00 62.15 H new ATOM 0 HA ASP A 103 -16.940 0.854 11.485 1.00 34.32 H new ATOM 0 HB2 ASP A 103 -16.817 2.378 13.376 1.00 5.43 H new ATOM 0 HB3 ASP A 103 -17.681 3.614 12.483 1.00 5.43 H new TER 1455 ASP A 103