USER MOD reduce.3.24.130724 H: found=0, std=0, add=697, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 695 hydrogens (44 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 17 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 66 ASN : amide:sc= -2.98 K(o=-3,f=-2.2) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0.0139 USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.0209 USER MOD Single : A 9 SER OG : rot 103:sc= 1.17 USER MOD Single : A 12 SER OG : rot 90:sc= 0.0144 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 19:sc= 0.726 USER MOD Single : A 25 SER OG : rot 180:sc= 0.0763 USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.064) USER MOD Single : A 40 ASN : amide:sc= -0.326 X(o=-0.33,f=-0.33) USER MOD Single : A 41 THR OG1 : rot -160:sc= -3.5! USER MOD Single : A 42 THR OG1 : rot 180:sc= -1.34 USER MOD Single : A 46 GLN : amide:sc= -1.19 K(o=-1.2,f=-3.6!) USER MOD Single : A 50 ASN : amide:sc= -1.2 K(o=-1.2,f=-2.1) USER MOD Single : A 53 LYS NZ :NH3+ -164:sc= -0.512 (180deg=-1.2) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ -156:sc= -0.168 (180deg=-0.74) USER MOD Single : A 63 ASN : amide:sc= -3.31 K(o=-3.3,f=-5!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.178) USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot -169:sc= -1.08 USER MOD Single : A 87 ASN : amide:sc= -0.176 K(o=-0.18,f=-2.2!) USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,f=-0.083) USER MOD Single : A 90 THR OG1 : rot -55:sc= 0.891 USER MOD Single : A 92 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.04) USER MOD Single : A 101 PGM O1 : rot 180:sc= 0 USER MOD Single : A 101 PGM O2 : rot 180:sc= 0 USER MOD Single : A 101 PGM O8 : rot -141:sc= 0.283 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 2.741 -1.011 1.011 1.00 74.21 N ATOM 2 CA ALA A 1 3.516 -0.781 -0.202 1.00 11.23 C ATOM 3 C ALA A 1 3.930 -2.099 -0.848 1.00 15.24 C ATOM 4 O ALA A 1 4.715 -2.859 -0.281 1.00 3.32 O ATOM 5 CB ALA A 1 4.742 0.065 0.109 1.00 62.15 C ATOM 0 H1 ALA A 1 2.473 -0.098 1.430 1.00 74.21 H new ATOM 0 H2 ALA A 1 1.883 -1.550 0.778 1.00 74.21 H new ATOM 0 H3 ALA A 1 3.314 -1.549 1.692 1.00 74.21 H new ATOM 0 HA ALA A 1 2.886 -0.243 -0.910 1.00 11.23 H new ATOM 0 HB1 ALA A 1 5.312 0.229 -0.805 1.00 62.15 H new ATOM 0 HB2 ALA A 1 4.427 1.025 0.518 1.00 62.15 H new ATOM 0 HB3 ALA A 1 5.366 -0.453 0.837 1.00 62.15 H new ATOM 11 N ILE A 2 3.395 -2.364 -2.035 1.00 43.40 N ATOM 12 CA ILE A 2 3.710 -3.590 -2.757 1.00 71.02 C ATOM 13 C ILE A 2 4.994 -3.438 -3.565 1.00 62.22 C ATOM 14 O ILE A 2 5.694 -2.432 -3.454 1.00 5.12 O ATOM 15 CB ILE A 2 2.565 -3.995 -3.705 1.00 3.40 C ATOM 16 CG1 ILE A 2 2.448 -2.992 -4.855 1.00 34.11 C ATOM 17 CG2 ILE A 2 1.253 -4.089 -2.941 1.00 2.22 C ATOM 18 CD1 ILE A 2 1.323 -3.305 -5.817 1.00 22.50 C ATOM 0 H ILE A 2 2.742 -1.746 -2.517 1.00 43.40 H new ATOM 0 HA ILE A 2 3.845 -4.371 -2.009 1.00 71.02 H new ATOM 0 HB ILE A 2 2.789 -4.976 -4.124 1.00 3.40 H new ATOM 0 HG12 ILE A 2 2.296 -1.995 -4.443 1.00 34.11 H new ATOM 0 HG13 ILE A 2 3.389 -2.970 -5.404 1.00 34.11 H new ATOM 0 HG21 ILE A 2 0.454 -4.376 -3.624 1.00 2.22 H new ATOM 0 HG22 ILE A 2 1.343 -4.837 -2.154 1.00 2.22 H new ATOM 0 HG23 ILE A 2 1.020 -3.121 -2.497 1.00 2.22 H new ATOM 0 HD11 ILE A 2 1.299 -2.553 -6.606 1.00 22.50 H new ATOM 0 HD12 ILE A 2 1.484 -4.289 -6.258 1.00 22.50 H new ATOM 0 HD13 ILE A 2 0.374 -3.299 -5.281 1.00 22.50 H new ATOM 30 N SER A 3 5.297 -4.444 -4.380 1.00 54.21 N ATOM 31 CA SER A 3 6.498 -4.423 -5.206 1.00 61.42 C ATOM 32 C SER A 3 6.141 -4.266 -6.681 1.00 53.10 C ATOM 33 O SER A 3 5.592 -5.178 -7.300 1.00 32.12 O ATOM 34 CB SER A 3 7.306 -5.706 -5.000 1.00 4.23 C ATOM 35 OG SER A 3 6.484 -6.755 -4.520 1.00 30.22 O ATOM 0 H SER A 3 4.727 -5.283 -4.486 1.00 54.21 H new ATOM 0 HA SER A 3 7.102 -3.568 -4.903 1.00 61.42 H new ATOM 0 HB2 SER A 3 7.768 -6.004 -5.941 1.00 4.23 H new ATOM 0 HB3 SER A 3 8.114 -5.521 -4.293 1.00 4.23 H new ATOM 0 HG SER A 3 7.024 -7.564 -4.398 1.00 30.22 H new ATOM 41 N CYS A 4 6.456 -3.102 -7.239 1.00 11.34 N ATOM 42 CA CYS A 4 6.169 -2.822 -8.640 1.00 53.22 C ATOM 43 C CYS A 4 6.708 -3.931 -9.538 1.00 64.41 C ATOM 44 O CYS A 4 6.043 -4.362 -10.479 1.00 51.11 O ATOM 45 CB CYS A 4 6.777 -1.479 -9.049 1.00 1.21 C ATOM 46 SG CYS A 4 6.205 -0.865 -10.666 1.00 5.10 S ATOM 0 H CYS A 4 6.911 -2.337 -6.741 1.00 11.34 H new ATOM 0 HA CYS A 4 5.087 -2.775 -8.760 1.00 53.22 H new ATOM 0 HB2 CYS A 4 6.540 -0.738 -8.286 1.00 1.21 H new ATOM 0 HB3 CYS A 4 7.862 -1.576 -9.072 1.00 1.21 H new ATOM 51 N GLY A 5 7.920 -4.390 -9.239 1.00 61.34 N ATOM 52 CA GLY A 5 8.529 -5.445 -10.028 1.00 71.41 C ATOM 53 C GLY A 5 7.662 -6.686 -10.104 1.00 31.50 C ATOM 54 O GLY A 5 7.728 -7.440 -11.075 1.00 1.41 O ATOM 0 H GLY A 5 8.490 -4.050 -8.465 1.00 61.34 H new ATOM 0 HA2 GLY A 5 8.720 -5.077 -11.036 1.00 71.41 H new ATOM 0 HA3 GLY A 5 9.495 -5.706 -9.596 1.00 71.41 H new ATOM 58 N ALA A 6 6.847 -6.901 -9.076 1.00 24.11 N ATOM 59 CA ALA A 6 5.964 -8.059 -9.030 1.00 74.34 C ATOM 60 C ALA A 6 4.659 -7.784 -9.770 1.00 12.52 C ATOM 61 O ALA A 6 3.944 -8.709 -10.154 1.00 54.00 O ATOM 62 CB ALA A 6 5.682 -8.452 -7.588 1.00 22.03 C ATOM 0 H ALA A 6 6.780 -6.288 -8.264 1.00 24.11 H new ATOM 0 HA ALA A 6 6.467 -8.888 -9.529 1.00 74.34 H new ATOM 0 HB1 ALA A 6 5.021 -9.319 -7.570 1.00 22.03 H new ATOM 0 HB2 ALA A 6 6.619 -8.699 -7.088 1.00 22.03 H new ATOM 0 HB3 ALA A 6 5.204 -7.620 -7.071 1.00 22.03 H new ATOM 68 N VAL A 7 4.354 -6.505 -9.965 1.00 53.44 N ATOM 69 CA VAL A 7 3.135 -6.107 -10.659 1.00 55.03 C ATOM 70 C VAL A 7 3.205 -6.461 -12.141 1.00 0.44 C ATOM 71 O VAL A 7 2.341 -7.165 -12.665 1.00 24.15 O ATOM 72 CB VAL A 7 2.874 -4.596 -10.515 1.00 43.33 C ATOM 73 CG1 VAL A 7 1.555 -4.216 -11.170 1.00 71.23 C ATOM 74 CG2 VAL A 7 2.887 -4.191 -9.049 1.00 41.41 C ATOM 0 H VAL A 7 4.934 -5.727 -9.652 1.00 53.44 H new ATOM 0 HA VAL A 7 2.315 -6.655 -10.196 1.00 55.03 H new ATOM 0 HB VAL A 7 3.673 -4.057 -11.025 1.00 43.33 H new ATOM 0 HG11 VAL A 7 1.388 -3.145 -11.058 1.00 71.23 H new ATOM 0 HG12 VAL A 7 1.589 -4.469 -12.230 1.00 71.23 H new ATOM 0 HG13 VAL A 7 0.741 -4.762 -10.693 1.00 71.23 H new ATOM 0 HG21 VAL A 7 2.701 -3.120 -8.966 1.00 41.41 H new ATOM 0 HG22 VAL A 7 2.110 -4.737 -8.514 1.00 41.41 H new ATOM 0 HG23 VAL A 7 3.859 -4.425 -8.615 1.00 41.41 H new ATOM 84 N THR A 8 4.241 -5.967 -12.813 1.00 34.14 N ATOM 85 CA THR A 8 4.424 -6.230 -14.234 1.00 45.03 C ATOM 86 C THR A 8 4.863 -7.670 -14.475 1.00 74.00 C ATOM 87 O THR A 8 4.418 -8.313 -15.426 1.00 23.53 O ATOM 88 CB THR A 8 5.467 -5.278 -14.851 1.00 73.34 C ATOM 89 OG1 THR A 8 6.766 -5.564 -14.321 1.00 14.23 O ATOM 90 CG2 THR A 8 5.107 -3.827 -14.572 1.00 12.13 C ATOM 0 H THR A 8 4.965 -5.383 -12.395 1.00 34.14 H new ATOM 0 HA THR A 8 3.460 -6.062 -14.713 1.00 45.03 H new ATOM 0 HB THR A 8 5.474 -5.432 -15.930 1.00 73.34 H new ATOM 0 HG1 THR A 8 7.423 -4.956 -14.719 1.00 14.23 H new ATOM 0 HG21 THR A 8 5.858 -3.174 -15.017 1.00 12.13 H new ATOM 0 HG22 THR A 8 4.131 -3.605 -15.003 1.00 12.13 H new ATOM 0 HG23 THR A 8 5.074 -3.661 -13.495 1.00 12.13 H new ATOM 98 N SER A 9 5.736 -8.171 -13.607 1.00 43.24 N ATOM 99 CA SER A 9 6.237 -9.535 -13.728 1.00 1.00 C ATOM 100 C SER A 9 5.087 -10.538 -13.728 1.00 2.31 C ATOM 101 O SER A 9 5.094 -11.507 -14.487 1.00 41.22 O ATOM 102 CB SER A 9 7.203 -9.849 -12.584 1.00 32.32 C ATOM 103 OG SER A 9 8.478 -9.277 -12.821 1.00 34.42 O ATOM 0 H SER A 9 6.111 -7.653 -12.812 1.00 43.24 H new ATOM 0 HA SER A 9 6.769 -9.618 -14.676 1.00 1.00 H new ATOM 0 HB2 SER A 9 6.798 -9.467 -11.647 1.00 32.32 H new ATOM 0 HB3 SER A 9 7.301 -10.929 -12.472 1.00 32.32 H new ATOM 0 HG SER A 9 8.580 -8.468 -12.278 1.00 34.42 H new ATOM 109 N ASP A 10 4.101 -10.297 -12.871 1.00 22.21 N ATOM 110 CA ASP A 10 2.943 -11.178 -12.771 1.00 51.44 C ATOM 111 C ASP A 10 2.239 -11.304 -14.119 1.00 22.40 C ATOM 112 O ASP A 10 1.567 -12.300 -14.389 1.00 72.40 O ATOM 113 CB ASP A 10 1.965 -10.652 -11.719 1.00 22.41 C ATOM 114 CG ASP A 10 2.374 -11.031 -10.309 1.00 1.51 C ATOM 115 OD1 ASP A 10 1.861 -10.409 -9.355 1.00 11.30 O ATOM 116 OD2 ASP A 10 3.207 -11.949 -10.159 1.00 53.13 O ATOM 0 H ASP A 10 4.080 -9.499 -12.236 1.00 22.21 H new ATOM 0 HA ASP A 10 3.293 -12.165 -12.470 1.00 51.44 H new ATOM 0 HB2 ASP A 10 1.901 -9.567 -11.797 1.00 22.41 H new ATOM 0 HB3 ASP A 10 0.969 -11.045 -11.924 1.00 22.41 H new ATOM 121 N LEU A 11 2.398 -10.289 -14.961 1.00 35.11 N ATOM 122 CA LEU A 11 1.777 -10.286 -16.281 1.00 14.10 C ATOM 123 C LEU A 11 2.771 -10.723 -17.352 1.00 21.34 C ATOM 124 O LEU A 11 2.571 -10.470 -18.539 1.00 71.25 O ATOM 125 CB LEU A 11 1.237 -8.893 -16.609 1.00 14.21 C ATOM 126 CG LEU A 11 -0.039 -8.477 -15.875 1.00 70.52 C ATOM 127 CD1 LEU A 11 -0.542 -7.140 -16.395 1.00 54.10 C ATOM 128 CD2 LEU A 11 -1.111 -9.547 -16.023 1.00 14.01 C ATOM 0 H LEU A 11 2.951 -9.458 -14.753 1.00 35.11 H new ATOM 0 HA LEU A 11 0.950 -10.996 -16.268 1.00 14.10 H new ATOM 0 HB2 LEU A 11 2.015 -8.162 -16.387 1.00 14.21 H new ATOM 0 HB3 LEU A 11 1.048 -8.842 -17.681 1.00 14.21 H new ATOM 0 HG LEU A 11 0.193 -8.367 -14.816 1.00 70.52 H new ATOM 0 HD11 LEU A 11 -1.450 -6.860 -15.861 1.00 54.10 H new ATOM 0 HD12 LEU A 11 0.221 -6.378 -16.237 1.00 54.10 H new ATOM 0 HD13 LEU A 11 -0.758 -7.222 -17.460 1.00 54.10 H new ATOM 0 HD21 LEU A 11 -2.012 -9.235 -15.495 1.00 14.01 H new ATOM 0 HD22 LEU A 11 -1.340 -9.689 -17.079 1.00 14.01 H new ATOM 0 HD23 LEU A 11 -0.750 -10.485 -15.601 1.00 14.01 H new ATOM 140 N SER A 12 3.842 -11.383 -16.923 1.00 24.12 N ATOM 141 CA SER A 12 4.869 -11.855 -17.844 1.00 42.24 C ATOM 142 C SER A 12 4.261 -12.736 -18.931 1.00 33.32 C ATOM 143 O SER A 12 4.346 -12.443 -20.124 1.00 35.44 O ATOM 144 CB SER A 12 5.947 -12.631 -17.086 1.00 23.40 C ATOM 145 OG SER A 12 7.063 -11.806 -16.798 1.00 32.30 O ATOM 0 H SER A 12 4.021 -11.603 -15.943 1.00 24.12 H new ATOM 0 HA SER A 12 5.324 -10.985 -18.318 1.00 42.24 H new ATOM 0 HB2 SER A 12 5.532 -13.023 -16.158 1.00 23.40 H new ATOM 0 HB3 SER A 12 6.268 -13.488 -17.679 1.00 23.40 H new ATOM 0 HG SER A 12 6.929 -11.364 -15.933 1.00 32.30 H new ATOM 151 N PRO A 13 3.631 -13.843 -18.510 1.00 24.44 N ATOM 152 CA PRO A 13 2.995 -14.791 -19.430 1.00 4.03 C ATOM 153 C PRO A 13 1.746 -14.212 -20.086 1.00 24.42 C ATOM 154 O PRO A 13 1.195 -14.798 -21.018 1.00 53.43 O ATOM 155 CB PRO A 13 2.627 -15.970 -18.526 1.00 22.22 C ATOM 156 CG PRO A 13 2.493 -15.377 -17.166 1.00 20.54 C ATOM 157 CD PRO A 13 3.492 -14.255 -17.103 1.00 32.13 C ATOM 0 HA PRO A 13 3.652 -15.060 -20.257 1.00 4.03 H new ATOM 0 HB2 PRO A 13 1.697 -16.439 -18.847 1.00 22.22 H new ATOM 0 HB3 PRO A 13 3.397 -16.741 -18.548 1.00 22.22 H new ATOM 0 HG2 PRO A 13 1.481 -15.008 -16.999 1.00 20.54 H new ATOM 0 HG3 PRO A 13 2.692 -16.121 -16.395 1.00 20.54 H new ATOM 0 HD2 PRO A 13 3.137 -13.436 -16.478 1.00 32.13 H new ATOM 0 HD3 PRO A 13 4.443 -14.586 -16.685 1.00 32.13 H new ATOM 165 N CYS A 14 1.305 -13.060 -19.594 1.00 0.25 N ATOM 166 CA CYS A 14 0.121 -12.401 -20.132 1.00 31.33 C ATOM 167 C CYS A 14 0.501 -11.406 -21.224 1.00 2.31 C ATOM 168 O CYS A 14 -0.272 -11.158 -22.150 1.00 12.51 O ATOM 169 CB CYS A 14 -0.641 -11.684 -19.015 1.00 71.15 C ATOM 170 SG CYS A 14 -1.241 -12.788 -17.696 1.00 65.12 S ATOM 0 H CYS A 14 1.750 -12.563 -18.823 1.00 0.25 H new ATOM 0 HA CYS A 14 -0.522 -13.165 -20.569 1.00 31.33 H new ATOM 0 HB2 CYS A 14 0.009 -10.928 -18.574 1.00 71.15 H new ATOM 0 HB3 CYS A 14 -1.492 -11.159 -19.449 1.00 71.15 H new ATOM 175 N LEU A 15 1.697 -10.839 -21.109 1.00 40.42 N ATOM 176 CA LEU A 15 2.181 -9.870 -22.087 1.00 24.04 C ATOM 177 C LEU A 15 1.907 -10.348 -23.509 1.00 24.21 C ATOM 178 O LEU A 15 1.537 -9.561 -24.380 1.00 53.32 O ATOM 179 CB LEU A 15 3.680 -9.630 -21.897 1.00 22.32 C ATOM 180 CG LEU A 15 4.219 -8.298 -22.421 1.00 35.44 C ATOM 181 CD1 LEU A 15 3.471 -7.135 -21.788 1.00 52.35 C ATOM 182 CD2 LEU A 15 5.712 -8.184 -22.152 1.00 60.10 C ATOM 0 H LEU A 15 2.349 -11.033 -20.349 1.00 40.42 H new ATOM 0 HA LEU A 15 1.646 -8.933 -21.929 1.00 24.04 H new ATOM 0 HB2 LEU A 15 3.906 -9.697 -20.833 1.00 22.32 H new ATOM 0 HB3 LEU A 15 4.222 -10.437 -22.390 1.00 22.32 H new ATOM 0 HG LEU A 15 4.061 -8.262 -23.499 1.00 35.44 H new ATOM 0 HD11 LEU A 15 3.867 -6.195 -22.172 1.00 52.35 H new ATOM 0 HD12 LEU A 15 2.411 -7.208 -22.032 1.00 52.35 H new ATOM 0 HD13 LEU A 15 3.598 -7.167 -20.706 1.00 52.35 H new ATOM 0 HD21 LEU A 15 6.078 -7.230 -22.532 1.00 60.10 H new ATOM 0 HD22 LEU A 15 5.894 -8.241 -21.079 1.00 60.10 H new ATOM 0 HD23 LEU A 15 6.235 -8.999 -22.653 1.00 60.10 H new ATOM 194 N THR A 16 2.090 -11.645 -23.737 1.00 64.05 N ATOM 195 CA THR A 16 1.862 -12.229 -25.053 1.00 42.22 C ATOM 196 C THR A 16 0.452 -11.932 -25.549 1.00 52.34 C ATOM 197 O THR A 16 0.269 -11.247 -26.557 1.00 31.45 O ATOM 198 CB THR A 16 2.077 -13.754 -25.036 1.00 45.00 C ATOM 199 OG1 THR A 16 3.436 -14.053 -24.698 1.00 23.13 O ATOM 200 CG2 THR A 16 1.740 -14.363 -26.389 1.00 23.35 C ATOM 0 H THR A 16 2.395 -12.311 -23.027 1.00 64.05 H new ATOM 0 HA THR A 16 2.586 -11.775 -25.730 1.00 42.22 H new ATOM 0 HB THR A 16 1.413 -14.184 -24.286 1.00 45.00 H new ATOM 0 HG1 THR A 16 3.564 -15.025 -24.688 1.00 23.13 H new ATOM 0 HG21 THR A 16 1.899 -15.441 -26.353 1.00 23.35 H new ATOM 0 HG22 THR A 16 0.697 -14.158 -26.630 1.00 23.35 H new ATOM 0 HG23 THR A 16 2.382 -13.927 -27.154 1.00 23.35 H new ATOM 208 N TYR A 17 -0.542 -12.449 -24.837 1.00 33.35 N ATOM 209 CA TYR A 17 -1.937 -12.241 -25.206 1.00 52.50 C ATOM 210 C TYR A 17 -2.301 -10.760 -25.146 1.00 31.24 C ATOM 211 O TYR A 17 -3.114 -10.276 -25.934 1.00 50.41 O ATOM 212 CB TYR A 17 -2.857 -13.041 -24.282 1.00 63.33 C ATOM 213 CG TYR A 17 -4.314 -12.653 -24.394 1.00 22.33 C ATOM 214 CD1 TYR A 17 -4.966 -12.018 -23.344 1.00 20.43 C ATOM 215 CD2 TYR A 17 -5.039 -12.922 -25.548 1.00 64.21 C ATOM 216 CE1 TYR A 17 -6.297 -11.663 -23.441 1.00 14.45 C ATOM 217 CE2 TYR A 17 -6.370 -12.569 -25.654 1.00 42.33 C ATOM 218 CZ TYR A 17 -6.995 -11.939 -24.598 1.00 22.41 C ATOM 219 OH TYR A 17 -8.321 -11.587 -24.699 1.00 51.02 O ATOM 0 H TYR A 17 -0.408 -13.016 -24.000 1.00 33.35 H new ATOM 0 HA TYR A 17 -2.071 -12.589 -26.230 1.00 52.50 H new ATOM 0 HB2 TYR A 17 -2.754 -14.102 -24.510 1.00 63.33 H new ATOM 0 HB3 TYR A 17 -2.531 -12.903 -23.251 1.00 63.33 H new ATOM 0 HD1 TYR A 17 -4.423 -11.798 -22.437 1.00 20.43 H new ATOM 0 HD2 TYR A 17 -4.553 -13.416 -26.377 1.00 64.21 H new ATOM 0 HE1 TYR A 17 -6.789 -11.172 -22.615 1.00 14.45 H new ATOM 0 HE2 TYR A 17 -6.919 -12.785 -26.559 1.00 42.33 H new ATOM 0 HH TYR A 17 -8.664 -11.851 -25.578 1.00 51.02 H new ATOM 229 N LEU A 18 -1.693 -10.046 -24.205 1.00 30.43 N ATOM 230 CA LEU A 18 -1.951 -8.620 -24.040 1.00 1.01 C ATOM 231 C LEU A 18 -1.365 -7.823 -25.201 1.00 4.12 C ATOM 232 O LEU A 18 -1.799 -6.706 -25.484 1.00 3.33 O ATOM 233 CB LEU A 18 -1.363 -8.125 -22.718 1.00 4.33 C ATOM 234 CG LEU A 18 -2.029 -8.652 -21.447 1.00 34.32 C ATOM 235 CD1 LEU A 18 -1.425 -7.996 -20.215 1.00 60.41 C ATOM 236 CD2 LEU A 18 -3.532 -8.417 -21.496 1.00 10.53 C ATOM 0 H LEU A 18 -1.018 -10.431 -23.545 1.00 30.43 H new ATOM 0 HA LEU A 18 -3.031 -8.470 -24.029 1.00 1.01 H new ATOM 0 HB2 LEU A 18 -0.307 -8.395 -22.690 1.00 4.33 H new ATOM 0 HB3 LEU A 18 -1.414 -7.036 -22.706 1.00 4.33 H new ATOM 0 HG LEU A 18 -1.851 -9.726 -21.385 1.00 34.32 H new ATOM 0 HD11 LEU A 18 -1.912 -8.384 -19.320 1.00 60.41 H new ATOM 0 HD12 LEU A 18 -0.358 -8.216 -20.172 1.00 60.41 H new ATOM 0 HD13 LEU A 18 -1.571 -6.917 -20.269 1.00 60.41 H new ATOM 0 HD21 LEU A 18 -3.990 -8.798 -20.583 1.00 10.53 H new ATOM 0 HD22 LEU A 18 -3.731 -7.349 -21.583 1.00 10.53 H new ATOM 0 HD23 LEU A 18 -3.953 -8.935 -22.357 1.00 10.53 H new ATOM 248 N THR A 19 -0.376 -8.405 -25.873 1.00 32.45 N ATOM 249 CA THR A 19 0.269 -7.751 -27.003 1.00 41.34 C ATOM 250 C THR A 19 -0.314 -8.236 -28.326 1.00 22.14 C ATOM 251 O THR A 19 0.356 -8.211 -29.357 1.00 63.31 O ATOM 252 CB THR A 19 1.789 -7.999 -27.004 1.00 3.03 C ATOM 253 OG1 THR A 19 2.056 -9.403 -26.918 1.00 24.21 O ATOM 254 CG2 THR A 19 2.455 -7.279 -25.841 1.00 5.10 C ATOM 0 H THR A 19 -0.005 -9.329 -25.653 1.00 32.45 H new ATOM 0 HA THR A 19 0.083 -6.682 -26.897 1.00 41.34 H new ATOM 0 HB THR A 19 2.198 -7.608 -27.935 1.00 3.03 H new ATOM 0 HG1 THR A 19 1.255 -9.905 -27.177 1.00 24.21 H new ATOM 0 HG21 THR A 19 3.528 -7.469 -25.862 1.00 5.10 H new ATOM 0 HG22 THR A 19 2.274 -6.207 -25.925 1.00 5.10 H new ATOM 0 HG23 THR A 19 2.040 -7.644 -24.901 1.00 5.10 H new ATOM 262 N GLY A 20 -1.568 -8.677 -28.288 1.00 64.31 N ATOM 263 CA GLY A 20 -2.220 -9.162 -29.491 1.00 2.15 C ATOM 264 C GLY A 20 -2.018 -10.649 -29.700 1.00 62.44 C ATOM 265 O GLY A 20 -2.635 -11.249 -30.580 1.00 11.14 O ATOM 0 H GLY A 20 -2.144 -8.707 -27.446 1.00 64.31 H new ATOM 0 HA2 GLY A 20 -3.287 -8.948 -29.434 1.00 2.15 H new ATOM 0 HA3 GLY A 20 -1.832 -8.621 -30.354 1.00 2.15 H new ATOM 269 N GLY A 21 -1.148 -11.247 -28.891 1.00 74.22 N ATOM 270 CA GLY A 21 -0.881 -12.669 -29.010 1.00 4.41 C ATOM 271 C GLY A 21 -2.071 -13.518 -28.611 1.00 61.12 C ATOM 272 O GLY A 21 -3.109 -13.010 -28.186 1.00 62.11 O ATOM 0 H GLY A 21 -0.624 -10.772 -28.156 1.00 74.22 H new ATOM 0 HA2 GLY A 21 -0.604 -12.898 -30.039 1.00 4.41 H new ATOM 0 HA3 GLY A 21 -0.027 -12.929 -28.384 1.00 4.41 H new ATOM 276 N PRO A 22 -1.929 -14.845 -28.749 1.00 42.31 N ATOM 277 CA PRO A 22 -2.991 -15.795 -28.406 1.00 55.45 C ATOM 278 C PRO A 22 -3.232 -15.878 -26.903 1.00 41.00 C ATOM 279 O PRO A 22 -2.314 -15.687 -26.106 1.00 71.13 O ATOM 280 CB PRO A 22 -2.460 -17.128 -28.938 1.00 31.11 C ATOM 281 CG PRO A 22 -0.979 -16.969 -28.946 1.00 61.43 C ATOM 282 CD PRO A 22 -0.720 -15.520 -29.250 1.00 5.43 C ATOM 0 HA PRO A 22 -3.951 -15.503 -28.831 1.00 55.45 H new ATOM 0 HB2 PRO A 22 -2.766 -17.958 -28.301 1.00 31.11 H new ATOM 0 HB3 PRO A 22 -2.841 -17.336 -29.938 1.00 31.11 H new ATOM 0 HG2 PRO A 22 -0.551 -17.248 -27.983 1.00 61.43 H new ATOM 0 HG3 PRO A 22 -0.521 -17.613 -29.697 1.00 61.43 H new ATOM 0 HD2 PRO A 22 0.178 -15.159 -28.750 1.00 5.43 H new ATOM 0 HD3 PRO A 22 -0.579 -15.352 -30.318 1.00 5.43 H new ATOM 290 N GLY A 23 -4.473 -16.165 -26.522 1.00 1.05 N ATOM 291 CA GLY A 23 -4.811 -16.269 -25.114 1.00 50.11 C ATOM 292 C GLY A 23 -6.220 -15.794 -24.820 1.00 10.33 C ATOM 293 O GLY A 23 -7.066 -15.704 -25.709 1.00 75.22 O ATOM 0 H GLY A 23 -5.250 -16.327 -27.163 1.00 1.05 H new ATOM 0 HA2 GLY A 23 -4.706 -17.306 -24.794 1.00 50.11 H new ATOM 0 HA3 GLY A 23 -4.103 -15.682 -24.529 1.00 50.11 H new ATOM 297 N PRO A 24 -6.489 -15.481 -23.543 1.00 45.34 N ATOM 298 CA PRO A 24 -5.489 -15.584 -22.476 1.00 12.21 C ATOM 299 C PRO A 24 -5.137 -17.031 -22.149 1.00 60.14 C ATOM 300 O PRO A 24 -6.019 -17.858 -21.920 1.00 74.11 O ATOM 301 CB PRO A 24 -6.176 -14.918 -21.281 1.00 74.11 C ATOM 302 CG PRO A 24 -7.634 -15.070 -21.550 1.00 1.52 C ATOM 303 CD PRO A 24 -7.789 -15.002 -23.044 1.00 23.50 C ATOM 0 HA PRO A 24 -4.544 -15.118 -22.756 1.00 12.21 H new ATOM 0 HB2 PRO A 24 -5.894 -15.398 -20.344 1.00 74.11 H new ATOM 0 HB3 PRO A 24 -5.896 -13.868 -21.198 1.00 74.11 H new ATOM 0 HG2 PRO A 24 -8.006 -16.018 -21.162 1.00 1.52 H new ATOM 0 HG3 PRO A 24 -8.205 -14.280 -21.062 1.00 1.52 H new ATOM 0 HD2 PRO A 24 -8.609 -15.630 -23.392 1.00 23.50 H new ATOM 0 HD3 PRO A 24 -8.000 -13.987 -23.381 1.00 23.50 H new ATOM 311 N SER A 25 -3.842 -17.330 -22.130 1.00 20.23 N ATOM 312 CA SER A 25 -3.373 -18.679 -21.834 1.00 75.14 C ATOM 313 C SER A 25 -3.691 -19.061 -20.392 1.00 13.11 C ATOM 314 O SER A 25 -3.997 -18.215 -19.552 1.00 15.42 O ATOM 315 CB SER A 25 -1.867 -18.784 -22.082 1.00 34.33 C ATOM 316 OG SER A 25 -1.230 -17.534 -21.885 1.00 62.02 O ATOM 0 H SER A 25 -3.099 -16.656 -22.316 1.00 20.23 H new ATOM 0 HA SER A 25 -3.892 -19.371 -22.497 1.00 75.14 H new ATOM 0 HB2 SER A 25 -1.435 -19.526 -21.410 1.00 34.33 H new ATOM 0 HB3 SER A 25 -1.686 -19.132 -23.099 1.00 34.33 H new ATOM 0 HG SER A 25 -0.268 -17.628 -22.048 1.00 62.02 H new ATOM 322 N PRO A 26 -3.617 -20.367 -20.096 1.00 75.25 N ATOM 323 CA PRO A 26 -3.893 -20.892 -18.756 1.00 31.51 C ATOM 324 C PRO A 26 -2.817 -20.504 -17.748 1.00 43.53 C ATOM 325 O PRO A 26 -3.095 -20.346 -16.560 1.00 21.00 O ATOM 326 CB PRO A 26 -3.907 -22.409 -18.965 1.00 41.20 C ATOM 327 CG PRO A 26 -3.056 -22.633 -20.167 1.00 23.31 C ATOM 328 CD PRO A 26 -3.259 -21.432 -21.048 1.00 44.03 C ATOM 0 HA PRO A 26 -4.822 -20.495 -18.347 1.00 31.51 H new ATOM 0 HB2 PRO A 26 -3.510 -22.932 -18.095 1.00 41.20 H new ATOM 0 HB3 PRO A 26 -4.921 -22.778 -19.123 1.00 41.20 H new ATOM 0 HG2 PRO A 26 -2.008 -22.740 -19.888 1.00 23.31 H new ATOM 0 HG3 PRO A 26 -3.343 -23.549 -20.683 1.00 23.31 H new ATOM 0 HD2 PRO A 26 -2.355 -21.185 -21.606 1.00 44.03 H new ATOM 0 HD3 PRO A 26 -4.049 -21.599 -21.780 1.00 44.03 H new ATOM 336 N GLN A 27 -1.588 -20.350 -18.231 1.00 71.04 N ATOM 337 CA GLN A 27 -0.470 -19.980 -17.371 1.00 54.55 C ATOM 338 C GLN A 27 -0.519 -18.495 -17.024 1.00 73.33 C ATOM 339 O GLN A 27 -0.060 -18.080 -15.960 1.00 23.31 O ATOM 340 CB GLN A 27 0.858 -20.312 -18.054 1.00 33.32 C ATOM 341 CG GLN A 27 0.980 -21.770 -18.469 1.00 10.50 C ATOM 342 CD GLN A 27 2.211 -22.035 -19.313 1.00 1.51 C ATOM 343 OE1 GLN A 27 3.341 -21.846 -18.860 1.00 74.41 O ATOM 344 NE2 GLN A 27 1.999 -22.474 -20.548 1.00 22.21 N ATOM 0 H GLN A 27 -1.342 -20.476 -19.213 1.00 71.04 H new ATOM 0 HA GLN A 27 -0.549 -20.554 -16.448 1.00 54.55 H new ATOM 0 HB2 GLN A 27 0.972 -19.681 -18.936 1.00 33.32 H new ATOM 0 HB3 GLN A 27 1.677 -20.065 -17.378 1.00 33.32 H new ATOM 0 HG2 GLN A 27 1.014 -22.396 -17.577 1.00 10.50 H new ATOM 0 HG3 GLN A 27 0.091 -22.060 -19.029 1.00 10.50 H new ATOM 0 HE21 GLN A 27 1.046 -22.617 -20.882 1.00 22.21 H new ATOM 0 HE22 GLN A 27 2.789 -22.669 -21.163 1.00 22.21 H new ATOM 353 N CYS A 28 -1.079 -17.699 -17.929 1.00 70.22 N ATOM 354 CA CYS A 28 -1.188 -16.261 -17.720 1.00 2.40 C ATOM 355 C CYS A 28 -2.229 -15.944 -16.651 1.00 15.41 C ATOM 356 O CYS A 28 -1.960 -15.200 -15.707 1.00 32.22 O ATOM 357 CB CYS A 28 -1.555 -15.560 -19.029 1.00 74.05 C ATOM 358 SG CYS A 28 -2.501 -14.019 -18.808 1.00 50.22 S ATOM 0 H CYS A 28 -1.464 -18.026 -18.815 1.00 70.22 H new ATOM 0 HA CYS A 28 -0.220 -15.895 -17.379 1.00 2.40 H new ATOM 0 HB2 CYS A 28 -0.640 -15.336 -19.578 1.00 74.05 H new ATOM 0 HB3 CYS A 28 -2.137 -16.246 -19.645 1.00 74.05 H new ATOM 363 N CYS A 29 -3.420 -16.513 -16.806 1.00 12.32 N ATOM 364 CA CYS A 29 -4.503 -16.292 -15.855 1.00 53.13 C ATOM 365 C CYS A 29 -4.029 -16.532 -14.425 1.00 11.11 C ATOM 366 O CYS A 29 -4.455 -15.848 -13.495 1.00 53.03 O ATOM 367 CB CYS A 29 -5.684 -17.211 -16.174 1.00 15.24 C ATOM 368 SG CYS A 29 -6.782 -16.583 -17.485 1.00 72.52 S ATOM 0 H CYS A 29 -3.660 -17.131 -17.581 1.00 12.32 H new ATOM 0 HA CYS A 29 -4.824 -15.254 -15.943 1.00 53.13 H new ATOM 0 HB2 CYS A 29 -5.301 -18.187 -16.472 1.00 15.24 H new ATOM 0 HB3 CYS A 29 -6.269 -17.362 -15.267 1.00 15.24 H new ATOM 373 N GLY A 30 -3.143 -17.509 -14.257 1.00 33.21 N ATOM 374 CA GLY A 30 -2.625 -17.822 -12.938 1.00 34.41 C ATOM 375 C GLY A 30 -2.028 -16.612 -12.247 1.00 71.52 C ATOM 376 O GLY A 30 -2.240 -16.403 -11.054 1.00 0.43 O ATOM 0 H GLY A 30 -2.775 -18.089 -15.011 1.00 33.21 H new ATOM 0 HA2 GLY A 30 -3.428 -18.228 -12.323 1.00 34.41 H new ATOM 0 HA3 GLY A 30 -1.865 -18.599 -13.024 1.00 34.41 H new ATOM 380 N GLY A 31 -1.277 -15.814 -13.000 1.00 22.13 N ATOM 381 CA GLY A 31 -0.657 -14.630 -12.435 1.00 2.30 C ATOM 382 C GLY A 31 -1.648 -13.503 -12.220 1.00 22.11 C ATOM 383 O GLY A 31 -1.593 -12.803 -11.209 1.00 34.14 O ATOM 0 H GLY A 31 -1.087 -15.966 -13.991 1.00 22.13 H new ATOM 0 HA2 GLY A 31 -0.191 -14.886 -11.484 1.00 2.30 H new ATOM 0 HA3 GLY A 31 0.138 -14.289 -13.098 1.00 2.30 H new ATOM 387 N VAL A 32 -2.556 -13.325 -13.174 1.00 61.53 N ATOM 388 CA VAL A 32 -3.563 -12.275 -13.085 1.00 73.31 C ATOM 389 C VAL A 32 -4.298 -12.330 -11.750 1.00 62.23 C ATOM 390 O VAL A 32 -4.483 -11.309 -11.088 1.00 41.01 O ATOM 391 CB VAL A 32 -4.590 -12.384 -14.228 1.00 42.33 C ATOM 392 CG1 VAL A 32 -5.643 -11.293 -14.106 1.00 3.30 C ATOM 393 CG2 VAL A 32 -3.892 -12.314 -15.578 1.00 74.04 C ATOM 0 H VAL A 32 -2.615 -13.895 -14.018 1.00 61.53 H new ATOM 0 HA VAL A 32 -3.037 -11.324 -13.168 1.00 73.31 H new ATOM 0 HB VAL A 32 -5.091 -13.349 -14.153 1.00 42.33 H new ATOM 0 HG11 VAL A 32 -6.360 -11.386 -14.922 1.00 3.30 H new ATOM 0 HG12 VAL A 32 -6.163 -11.394 -13.153 1.00 3.30 H new ATOM 0 HG13 VAL A 32 -5.162 -10.316 -14.155 1.00 3.30 H new ATOM 0 HG21 VAL A 32 -4.632 -12.392 -16.375 1.00 74.04 H new ATOM 0 HG22 VAL A 32 -3.364 -11.365 -15.666 1.00 74.04 H new ATOM 0 HG23 VAL A 32 -3.180 -13.135 -15.662 1.00 74.04 H new ATOM 403 N LYS A 33 -4.715 -13.530 -11.360 1.00 5.13 N ATOM 404 CA LYS A 33 -5.428 -13.721 -10.102 1.00 41.44 C ATOM 405 C LYS A 33 -4.541 -13.364 -8.914 1.00 3.11 C ATOM 406 O LYS A 33 -4.991 -12.733 -7.957 1.00 44.23 O ATOM 407 CB LYS A 33 -5.907 -15.169 -9.979 1.00 3.25 C ATOM 408 CG LYS A 33 -6.883 -15.582 -11.066 1.00 41.13 C ATOM 409 CD LYS A 33 -6.638 -17.011 -11.522 1.00 15.32 C ATOM 410 CE LYS A 33 -7.677 -17.457 -12.540 1.00 1.42 C ATOM 411 NZ LYS A 33 -8.224 -18.804 -12.220 1.00 33.11 N ATOM 0 H LYS A 33 -4.571 -14.385 -11.897 1.00 5.13 H new ATOM 0 HA LYS A 33 -6.293 -13.057 -10.098 1.00 41.44 H new ATOM 0 HB2 LYS A 33 -5.043 -15.832 -10.008 1.00 3.25 H new ATOM 0 HB3 LYS A 33 -6.381 -15.305 -9.007 1.00 3.25 H new ATOM 0 HG2 LYS A 33 -7.904 -15.487 -10.695 1.00 41.13 H new ATOM 0 HG3 LYS A 33 -6.789 -14.907 -11.916 1.00 41.13 H new ATOM 0 HD2 LYS A 33 -5.642 -17.089 -11.959 1.00 15.32 H new ATOM 0 HD3 LYS A 33 -6.661 -17.678 -10.660 1.00 15.32 H new ATOM 0 HE2 LYS A 33 -8.491 -16.732 -12.570 1.00 1.42 H new ATOM 0 HE3 LYS A 33 -7.228 -17.474 -13.533 1.00 1.42 H new ATOM 0 HZ1 LYS A 33 -8.928 -19.072 -12.937 1.00 33.11 H new ATOM 0 HZ2 LYS A 33 -7.452 -19.500 -12.216 1.00 33.11 H new ATOM 0 HZ3 LYS A 33 -8.675 -18.782 -11.283 1.00 33.11 H new ATOM 425 N LYS A 34 -3.278 -13.771 -8.981 1.00 44.33 N ATOM 426 CA LYS A 34 -2.326 -13.492 -7.913 1.00 24.04 C ATOM 427 C LYS A 34 -2.095 -11.991 -7.767 1.00 34.33 C ATOM 428 O LYS A 34 -1.983 -11.475 -6.654 1.00 34.33 O ATOM 429 CB LYS A 34 -0.996 -14.198 -8.189 1.00 33.21 C ATOM 430 CG LYS A 34 0.105 -13.827 -7.211 1.00 14.24 C ATOM 431 CD LYS A 34 1.083 -14.972 -7.011 1.00 61.13 C ATOM 432 CE LYS A 34 0.547 -15.998 -6.024 1.00 43.32 C ATOM 433 NZ LYS A 34 0.622 -15.508 -4.620 1.00 2.21 N ATOM 0 H LYS A 34 -2.890 -14.296 -9.765 1.00 44.33 H new ATOM 0 HA LYS A 34 -2.745 -13.870 -6.980 1.00 24.04 H new ATOM 0 HB2 LYS A 34 -1.153 -15.276 -8.154 1.00 33.21 H new ATOM 0 HB3 LYS A 34 -0.669 -13.956 -9.200 1.00 33.21 H new ATOM 0 HG2 LYS A 34 0.639 -12.951 -7.579 1.00 14.24 H new ATOM 0 HG3 LYS A 34 -0.336 -13.552 -6.253 1.00 14.24 H new ATOM 0 HD2 LYS A 34 1.280 -15.455 -7.968 1.00 61.13 H new ATOM 0 HD3 LYS A 34 2.034 -14.581 -6.650 1.00 61.13 H new ATOM 0 HE2 LYS A 34 -0.488 -16.234 -6.272 1.00 43.32 H new ATOM 0 HE3 LYS A 34 1.116 -16.923 -6.117 1.00 43.32 H new ATOM 0 HZ1 LYS A 34 0.426 -16.294 -3.967 1.00 2.21 H new ATOM 0 HZ2 LYS A 34 1.574 -15.132 -4.434 1.00 2.21 H new ATOM 0 HZ3 LYS A 34 -0.081 -14.755 -4.477 1.00 2.21 H new ATOM 447 N LEU A 35 -2.027 -11.295 -8.896 1.00 60.31 N ATOM 448 CA LEU A 35 -1.812 -9.852 -8.894 1.00 23.51 C ATOM 449 C LEU A 35 -3.011 -9.124 -8.295 1.00 42.04 C ATOM 450 O LEU A 35 -2.863 -8.306 -7.386 1.00 74.03 O ATOM 451 CB LEU A 35 -1.555 -9.353 -10.317 1.00 33.11 C ATOM 452 CG LEU A 35 -1.644 -7.841 -10.524 1.00 1.44 C ATOM 453 CD1 LEU A 35 -0.789 -7.111 -9.499 1.00 42.13 C ATOM 454 CD2 LEU A 35 -1.219 -7.470 -11.937 1.00 11.30 C ATOM 0 H LEU A 35 -2.118 -11.706 -9.825 1.00 60.31 H new ATOM 0 HA LEU A 35 -0.938 -9.640 -8.279 1.00 23.51 H new ATOM 0 HB2 LEU A 35 -0.562 -9.684 -10.623 1.00 33.11 H new ATOM 0 HB3 LEU A 35 -2.271 -9.834 -10.984 1.00 33.11 H new ATOM 0 HG LEU A 35 -2.681 -7.535 -10.386 1.00 1.44 H new ATOM 0 HD11 LEU A 35 -0.865 -6.036 -9.662 1.00 42.13 H new ATOM 0 HD12 LEU A 35 -1.139 -7.352 -8.495 1.00 42.13 H new ATOM 0 HD13 LEU A 35 0.250 -7.422 -9.605 1.00 42.13 H new ATOM 0 HD21 LEU A 35 -1.289 -6.390 -12.066 1.00 11.30 H new ATOM 0 HD22 LEU A 35 -0.190 -7.790 -12.103 1.00 11.30 H new ATOM 0 HD23 LEU A 35 -1.873 -7.964 -12.655 1.00 11.30 H new ATOM 466 N LEU A 36 -4.198 -9.427 -8.809 1.00 65.44 N ATOM 467 CA LEU A 36 -5.424 -8.803 -8.324 1.00 64.23 C ATOM 468 C LEU A 36 -5.694 -9.189 -6.874 1.00 32.53 C ATOM 469 O LEU A 36 -6.178 -8.378 -6.085 1.00 74.40 O ATOM 470 CB LEU A 36 -6.608 -9.211 -9.202 1.00 14.50 C ATOM 471 CG LEU A 36 -6.599 -8.674 -10.634 1.00 24.11 C ATOM 472 CD1 LEU A 36 -7.701 -9.324 -11.455 1.00 34.11 C ATOM 473 CD2 LEU A 36 -6.751 -7.160 -10.637 1.00 45.02 C ATOM 0 H LEU A 36 -4.337 -10.101 -9.562 1.00 65.44 H new ATOM 0 HA LEU A 36 -5.298 -7.722 -8.375 1.00 64.23 H new ATOM 0 HB2 LEU A 36 -6.645 -10.300 -9.244 1.00 14.50 H new ATOM 0 HB3 LEU A 36 -7.526 -8.879 -8.717 1.00 14.50 H new ATOM 0 HG LEU A 36 -5.640 -8.924 -11.089 1.00 24.11 H new ATOM 0 HD11 LEU A 36 -7.679 -8.929 -12.471 1.00 34.11 H new ATOM 0 HD12 LEU A 36 -7.547 -10.403 -11.481 1.00 34.11 H new ATOM 0 HD13 LEU A 36 -8.668 -9.107 -11.002 1.00 34.11 H new ATOM 0 HD21 LEU A 36 -6.742 -6.796 -11.664 1.00 45.02 H new ATOM 0 HD22 LEU A 36 -7.694 -6.888 -10.163 1.00 45.02 H new ATOM 0 HD23 LEU A 36 -5.925 -6.710 -10.086 1.00 45.02 H new ATOM 485 N ALA A 37 -5.376 -10.433 -6.529 1.00 12.13 N ATOM 486 CA ALA A 37 -5.581 -10.925 -5.172 1.00 60.31 C ATOM 487 C ALA A 37 -4.702 -10.175 -4.177 1.00 53.22 C ATOM 488 O ALA A 37 -5.007 -10.116 -2.986 1.00 72.34 O ATOM 489 CB ALA A 37 -5.300 -12.419 -5.105 1.00 33.20 C ATOM 0 H ALA A 37 -4.976 -11.118 -7.170 1.00 12.13 H new ATOM 0 HA ALA A 37 -6.622 -10.749 -4.902 1.00 60.31 H new ATOM 0 HB1 ALA A 37 -5.457 -12.773 -4.086 1.00 33.20 H new ATOM 0 HB2 ALA A 37 -5.973 -12.947 -5.780 1.00 33.20 H new ATOM 0 HB3 ALA A 37 -4.268 -12.609 -5.400 1.00 33.20 H new ATOM 495 N ALA A 38 -3.610 -9.603 -4.673 1.00 52.44 N ATOM 496 CA ALA A 38 -2.688 -8.855 -3.828 1.00 12.22 C ATOM 497 C ALA A 38 -3.165 -7.420 -3.630 1.00 35.11 C ATOM 498 O ALA A 38 -3.030 -6.855 -2.545 1.00 71.01 O ATOM 499 CB ALA A 38 -1.290 -8.870 -4.429 1.00 14.13 C ATOM 0 H ALA A 38 -3.342 -9.643 -5.656 1.00 52.44 H new ATOM 0 HA ALA A 38 -2.657 -9.338 -2.851 1.00 12.22 H new ATOM 0 HB1 ALA A 38 -0.612 -8.307 -3.787 1.00 14.13 H new ATOM 0 HB2 ALA A 38 -0.941 -9.899 -4.512 1.00 14.13 H new ATOM 0 HB3 ALA A 38 -1.315 -8.414 -5.419 1.00 14.13 H new ATOM 505 N ALA A 39 -3.724 -6.836 -4.685 1.00 63.22 N ATOM 506 CA ALA A 39 -4.222 -5.468 -4.626 1.00 51.35 C ATOM 507 C ALA A 39 -5.553 -5.399 -3.884 1.00 64.44 C ATOM 508 O ALA A 39 -6.592 -5.120 -4.480 1.00 12.23 O ATOM 509 CB ALA A 39 -4.369 -4.899 -6.030 1.00 5.41 C ATOM 0 H ALA A 39 -3.843 -7.290 -5.591 1.00 63.22 H new ATOM 0 HA ALA A 39 -3.498 -4.868 -4.076 1.00 51.35 H new ATOM 0 HB1 ALA A 39 -4.742 -3.876 -5.971 1.00 5.41 H new ATOM 0 HB2 ALA A 39 -3.399 -4.903 -6.528 1.00 5.41 H new ATOM 0 HB3 ALA A 39 -5.071 -5.509 -6.598 1.00 5.41 H new ATOM 515 N ASN A 40 -5.512 -5.658 -2.581 1.00 40.53 N ATOM 516 CA ASN A 40 -6.715 -5.626 -1.758 1.00 75.41 C ATOM 517 C ASN A 40 -6.814 -4.313 -0.988 1.00 71.01 C ATOM 518 O ASN A 40 -7.830 -4.026 -0.354 1.00 30.53 O ATOM 519 CB ASN A 40 -6.721 -6.805 -0.782 1.00 13.41 C ATOM 520 CG ASN A 40 -7.925 -6.785 0.140 1.00 30.33 C ATOM 521 OD1 ASN A 40 -9.067 -6.886 -0.309 1.00 2.11 O ATOM 522 ND2 ASN A 40 -7.674 -6.655 1.438 1.00 70.22 N ATOM 0 H ASN A 40 -4.659 -5.892 -2.073 1.00 40.53 H new ATOM 0 HA ASN A 40 -7.579 -5.704 -2.418 1.00 75.41 H new ATOM 0 HB2 ASN A 40 -6.713 -7.739 -1.344 1.00 13.41 H new ATOM 0 HB3 ASN A 40 -5.809 -6.784 -0.185 1.00 13.41 H new ATOM 0 HD21 ASN A 40 -8.444 -6.636 2.107 1.00 70.22 H new ATOM 0 HD22 ASN A 40 -6.711 -6.574 1.766 1.00 70.22 H new ATOM 529 N THR A 41 -5.751 -3.517 -1.048 1.00 52.44 N ATOM 530 CA THR A 41 -5.717 -2.234 -0.357 1.00 70.11 C ATOM 531 C THR A 41 -5.790 -1.075 -1.345 1.00 35.14 C ATOM 532 O THR A 41 -5.674 -1.268 -2.555 1.00 72.33 O ATOM 533 CB THR A 41 -4.441 -2.088 0.494 1.00 74.41 C ATOM 534 OG1 THR A 41 -3.433 -2.990 0.024 1.00 73.31 O ATOM 535 CG2 THR A 41 -4.735 -2.367 1.960 1.00 25.14 C ATOM 0 H THR A 41 -4.902 -3.738 -1.568 1.00 52.44 H new ATOM 0 HA THR A 41 -6.588 -2.205 0.298 1.00 70.11 H new ATOM 0 HB THR A 41 -4.083 -1.063 0.400 1.00 74.41 H new ATOM 0 HG1 THR A 41 -2.766 -3.130 0.728 1.00 73.31 H new ATOM 0 HG21 THR A 41 -3.820 -2.258 2.542 1.00 25.14 H new ATOM 0 HG22 THR A 41 -5.482 -1.660 2.322 1.00 25.14 H new ATOM 0 HG23 THR A 41 -5.115 -3.383 2.068 1.00 25.14 H new ATOM 543 N THR A 42 -5.984 0.131 -0.821 1.00 4.52 N ATOM 544 CA THR A 42 -6.073 1.322 -1.656 1.00 40.15 C ATOM 545 C THR A 42 -4.726 1.651 -2.291 1.00 14.14 C ATOM 546 O THR A 42 -4.604 1.791 -3.508 1.00 23.13 O ATOM 547 CB THR A 42 -6.558 2.540 -0.849 1.00 14.45 C ATOM 548 OG1 THR A 42 -7.988 2.531 -0.759 1.00 25.12 O ATOM 549 CG2 THR A 42 -6.094 3.837 -1.494 1.00 14.52 C ATOM 0 H THR A 42 -6.083 0.309 0.179 1.00 4.52 H new ATOM 0 HA THR A 42 -6.798 1.104 -2.440 1.00 40.15 H new ATOM 0 HB THR A 42 -6.131 2.478 0.152 1.00 14.45 H new ATOM 0 HG1 THR A 42 -8.288 3.308 -0.243 1.00 25.12 H new ATOM 0 HG21 THR A 42 -6.449 4.683 -0.906 1.00 14.52 H new ATOM 0 HG22 THR A 42 -5.005 3.854 -1.534 1.00 14.52 H new ATOM 0 HG23 THR A 42 -6.495 3.904 -2.505 1.00 14.52 H new ATOM 557 N PRO A 43 -3.690 1.778 -1.449 1.00 20.44 N ATOM 558 CA PRO A 43 -2.333 2.090 -1.905 1.00 44.52 C ATOM 559 C PRO A 43 -1.697 0.934 -2.669 1.00 70.02 C ATOM 560 O PRO A 43 -0.633 1.085 -3.270 1.00 22.43 O ATOM 561 CB PRO A 43 -1.572 2.353 -0.603 1.00 50.41 C ATOM 562 CG PRO A 43 -2.320 1.588 0.433 1.00 22.04 C ATOM 563 CD PRO A 43 -3.763 1.624 0.014 1.00 14.41 C ATOM 0 HA PRO A 43 -2.320 2.930 -2.599 1.00 44.52 H new ATOM 0 HB2 PRO A 43 -0.538 2.017 -0.674 1.00 50.41 H new ATOM 0 HB3 PRO A 43 -1.546 3.417 -0.368 1.00 50.41 H new ATOM 0 HG2 PRO A 43 -1.958 0.562 0.497 1.00 22.04 H new ATOM 0 HG3 PRO A 43 -2.189 2.035 1.419 1.00 22.04 H new ATOM 0 HD2 PRO A 43 -4.286 0.710 0.296 1.00 14.41 H new ATOM 0 HD3 PRO A 43 -4.296 2.453 0.479 1.00 14.41 H new ATOM 571 N ASP A 44 -2.356 -0.219 -2.643 1.00 22.32 N ATOM 572 CA ASP A 44 -1.856 -1.402 -3.335 1.00 5.44 C ATOM 573 C ASP A 44 -2.338 -1.430 -4.781 1.00 55.44 C ATOM 574 O ASP A 44 -1.604 -1.833 -5.683 1.00 73.34 O ATOM 575 CB ASP A 44 -2.304 -2.671 -2.609 1.00 74.24 C ATOM 576 CG ASP A 44 -1.318 -3.110 -1.545 1.00 44.42 C ATOM 577 OD1 ASP A 44 -0.436 -2.302 -1.184 1.00 12.31 O ATOM 578 OD2 ASP A 44 -1.427 -4.260 -1.073 1.00 72.20 O ATOM 0 H ASP A 44 -3.238 -0.360 -2.150 1.00 22.32 H new ATOM 0 HA ASP A 44 -0.767 -1.359 -3.336 1.00 5.44 H new ATOM 0 HB2 ASP A 44 -3.277 -2.498 -2.149 1.00 74.24 H new ATOM 0 HB3 ASP A 44 -2.433 -3.474 -3.334 1.00 74.24 H new ATOM 583 N ARG A 45 -3.578 -0.999 -4.995 1.00 23.34 N ATOM 584 CA ARG A 45 -4.159 -0.977 -6.331 1.00 74.43 C ATOM 585 C ARG A 45 -3.605 0.187 -7.146 1.00 51.44 C ATOM 586 O ARG A 45 -3.271 0.031 -8.320 1.00 44.34 O ATOM 587 CB ARG A 45 -5.683 -0.874 -6.246 1.00 33.42 C ATOM 588 CG ARG A 45 -6.312 -1.900 -5.316 1.00 42.42 C ATOM 589 CD ARG A 45 -7.294 -2.794 -6.056 1.00 15.21 C ATOM 590 NE ARG A 45 -8.270 -2.021 -6.819 1.00 54.33 N ATOM 591 CZ ARG A 45 -9.063 -2.548 -7.746 1.00 1.20 C ATOM 592 NH1 ARG A 45 -8.995 -3.843 -8.022 1.00 53.22 N ATOM 593 NH2 ARG A 45 -9.926 -1.779 -8.398 1.00 63.11 N ATOM 0 H ARG A 45 -4.199 -0.661 -4.260 1.00 23.34 H new ATOM 0 HA ARG A 45 -3.892 -1.908 -6.831 1.00 74.43 H new ATOM 0 HB2 ARG A 45 -5.953 0.126 -5.906 1.00 33.42 H new ATOM 0 HB3 ARG A 45 -6.103 -0.995 -7.244 1.00 33.42 H new ATOM 0 HG2 ARG A 45 -5.530 -2.511 -4.865 1.00 42.42 H new ATOM 0 HG3 ARG A 45 -6.826 -1.388 -4.502 1.00 42.42 H new ATOM 0 HD2 ARG A 45 -6.747 -3.453 -6.730 1.00 15.21 H new ATOM 0 HD3 ARG A 45 -7.815 -3.430 -5.341 1.00 15.21 H new ATOM 0 HE ARG A 45 -8.347 -1.022 -6.630 1.00 54.33 H new ATOM 0 HH11 ARG A 45 -8.333 -4.437 -7.522 1.00 53.22 H new ATOM 0 HH12 ARG A 45 -9.605 -4.245 -8.734 1.00 53.22 H new ATOM 0 HH21 ARG A 45 -9.981 -0.782 -8.188 1.00 63.11 H new ATOM 0 HH22 ARG A 45 -10.534 -2.185 -9.109 1.00 63.11 H new ATOM 607 N GLN A 46 -3.512 1.353 -6.515 1.00 42.21 N ATOM 608 CA GLN A 46 -2.999 2.544 -7.183 1.00 34.03 C ATOM 609 C GLN A 46 -1.620 2.283 -7.779 1.00 30.14 C ATOM 610 O GLN A 46 -1.379 2.556 -8.954 1.00 73.12 O ATOM 611 CB GLN A 46 -2.931 3.715 -6.201 1.00 4.00 C ATOM 612 CG GLN A 46 -4.268 4.051 -5.560 1.00 44.45 C ATOM 613 CD GLN A 46 -4.117 4.848 -4.280 1.00 11.23 C ATOM 614 OE1 GLN A 46 -3.064 4.826 -3.641 1.00 75.01 O ATOM 615 NE2 GLN A 46 -5.172 5.559 -3.897 1.00 24.53 N ATOM 0 H GLN A 46 -3.785 1.499 -5.543 1.00 42.21 H new ATOM 0 HA GLN A 46 -3.682 2.798 -7.994 1.00 34.03 H new ATOM 0 HB2 GLN A 46 -2.211 3.480 -5.417 1.00 4.00 H new ATOM 0 HB3 GLN A 46 -2.557 4.595 -6.724 1.00 4.00 H new ATOM 0 HG2 GLN A 46 -4.873 4.618 -6.267 1.00 44.45 H new ATOM 0 HG3 GLN A 46 -4.807 3.128 -5.347 1.00 44.45 H new ATOM 0 HE21 GLN A 46 -6.025 5.548 -4.457 1.00 24.53 H new ATOM 0 HE22 GLN A 46 -5.129 6.116 -3.043 1.00 24.53 H new ATOM 624 N ALA A 47 -0.718 1.753 -6.959 1.00 44.14 N ATOM 625 CA ALA A 47 0.637 1.454 -7.406 1.00 62.21 C ATOM 626 C ALA A 47 0.632 0.392 -8.501 1.00 43.41 C ATOM 627 O ALA A 47 1.059 0.647 -9.627 1.00 23.42 O ATOM 628 CB ALA A 47 1.492 1.000 -6.232 1.00 72.40 C ATOM 0 H ALA A 47 -0.901 1.522 -5.982 1.00 44.14 H new ATOM 0 HA ALA A 47 1.065 2.366 -7.822 1.00 62.21 H new ATOM 0 HB1 ALA A 47 2.501 0.780 -6.580 1.00 72.40 H new ATOM 0 HB2 ALA A 47 1.531 1.791 -5.483 1.00 72.40 H new ATOM 0 HB3 ALA A 47 1.057 0.103 -5.791 1.00 72.40 H new ATOM 634 N ALA A 48 0.147 -0.798 -8.163 1.00 1.31 N ATOM 635 CA ALA A 48 0.086 -1.897 -9.118 1.00 73.10 C ATOM 636 C ALA A 48 -0.520 -1.441 -10.441 1.00 60.53 C ATOM 637 O ALA A 48 -0.069 -1.844 -11.514 1.00 22.52 O ATOM 638 CB ALA A 48 -0.715 -3.055 -8.540 1.00 1.43 C ATOM 0 H ALA A 48 -0.209 -1.025 -7.235 1.00 1.31 H new ATOM 0 HA ALA A 48 1.104 -2.235 -9.311 1.00 73.10 H new ATOM 0 HB1 ALA A 48 -0.752 -3.869 -9.264 1.00 1.43 H new ATOM 0 HB2 ALA A 48 -0.239 -3.406 -7.624 1.00 1.43 H new ATOM 0 HB3 ALA A 48 -1.728 -2.721 -8.317 1.00 1.43 H new ATOM 644 N CYS A 49 -1.545 -0.600 -10.359 1.00 1.21 N ATOM 645 CA CYS A 49 -2.214 -0.090 -11.550 1.00 1.25 C ATOM 646 C CYS A 49 -1.272 0.787 -12.369 1.00 41.51 C ATOM 647 O CYS A 49 -0.919 0.451 -13.499 1.00 34.14 O ATOM 648 CB CYS A 49 -3.460 0.708 -11.158 1.00 64.51 C ATOM 649 SG CYS A 49 -4.527 1.157 -12.564 1.00 71.22 S ATOM 0 H CYS A 49 -1.931 -0.257 -9.479 1.00 1.21 H new ATOM 0 HA CYS A 49 -2.513 -0.941 -12.161 1.00 1.25 H new ATOM 0 HB2 CYS A 49 -4.043 0.125 -10.445 1.00 64.51 H new ATOM 0 HB3 CYS A 49 -3.149 1.619 -10.646 1.00 64.51 H new ATOM 654 N ASN A 50 -0.868 1.914 -11.791 1.00 31.13 N ATOM 655 CA ASN A 50 0.033 2.840 -12.467 1.00 52.12 C ATOM 656 C ASN A 50 1.249 2.107 -13.024 1.00 24.23 C ATOM 657 O ASN A 50 1.665 2.343 -14.159 1.00 32.33 O ATOM 658 CB ASN A 50 0.483 3.941 -11.505 1.00 21.14 C ATOM 659 CG ASN A 50 -0.680 4.755 -10.973 1.00 14.42 C ATOM 660 OD1 ASN A 50 -1.605 5.094 -11.712 1.00 30.40 O ATOM 661 ND2 ASN A 50 -0.639 5.075 -9.684 1.00 60.35 N ATOM 0 H ASN A 50 -1.151 2.208 -10.856 1.00 31.13 H new ATOM 0 HA ASN A 50 -0.508 3.292 -13.298 1.00 52.12 H new ATOM 0 HB2 ASN A 50 1.021 3.492 -10.670 1.00 21.14 H new ATOM 0 HB3 ASN A 50 1.182 4.603 -12.016 1.00 21.14 H new ATOM 0 HD21 ASN A 50 -1.394 5.623 -9.270 1.00 60.35 H new ATOM 0 HD22 ASN A 50 0.147 4.773 -9.108 1.00 60.35 H new ATOM 668 N CYS A 51 1.816 1.216 -12.217 1.00 64.22 N ATOM 669 CA CYS A 51 2.985 0.447 -12.627 1.00 61.05 C ATOM 670 C CYS A 51 2.749 -0.224 -13.978 1.00 15.34 C ATOM 671 O CYS A 51 3.624 -0.226 -14.844 1.00 70.11 O ATOM 672 CB CYS A 51 3.323 -0.609 -11.573 1.00 75.22 C ATOM 673 SG CYS A 51 4.401 -0.006 -10.235 1.00 0.32 S ATOM 0 H CYS A 51 1.484 1.009 -11.275 1.00 64.22 H new ATOM 0 HA CYS A 51 3.825 1.135 -12.724 1.00 61.05 H new ATOM 0 HB2 CYS A 51 2.396 -0.982 -11.138 1.00 75.22 H new ATOM 0 HB3 CYS A 51 3.808 -1.454 -12.063 1.00 75.22 H new ATOM 678 N LEU A 52 1.560 -0.791 -14.150 1.00 31.55 N ATOM 679 CA LEU A 52 1.207 -1.465 -15.394 1.00 72.52 C ATOM 680 C LEU A 52 0.890 -0.453 -16.491 1.00 32.45 C ATOM 681 O LEU A 52 1.492 -0.475 -17.564 1.00 25.21 O ATOM 682 CB LEU A 52 0.007 -2.389 -15.174 1.00 42.15 C ATOM 683 CG LEU A 52 0.299 -3.710 -14.461 1.00 53.33 C ATOM 684 CD1 LEU A 52 -0.977 -4.522 -14.299 1.00 41.24 C ATOM 685 CD2 LEU A 52 1.348 -4.507 -15.223 1.00 14.11 C ATOM 0 H LEU A 52 0.824 -0.797 -13.444 1.00 31.55 H new ATOM 0 HA LEU A 52 2.063 -2.061 -15.711 1.00 72.52 H new ATOM 0 HB2 LEU A 52 -0.743 -1.847 -14.598 1.00 42.15 H new ATOM 0 HB3 LEU A 52 -0.436 -2.613 -16.144 1.00 42.15 H new ATOM 0 HG LEU A 52 0.692 -3.487 -13.469 1.00 53.33 H new ATOM 0 HD11 LEU A 52 -0.750 -5.459 -13.790 1.00 41.24 H new ATOM 0 HD12 LEU A 52 -1.697 -3.954 -13.710 1.00 41.24 H new ATOM 0 HD13 LEU A 52 -1.399 -4.736 -15.281 1.00 41.24 H new ATOM 0 HD21 LEU A 52 1.543 -5.444 -14.701 1.00 14.11 H new ATOM 0 HD22 LEU A 52 0.984 -4.721 -16.228 1.00 14.11 H new ATOM 0 HD23 LEU A 52 2.269 -3.928 -15.287 1.00 14.11 H new ATOM 697 N LYS A 53 -0.059 0.435 -16.213 1.00 23.55 N ATOM 698 CA LYS A 53 -0.454 1.458 -17.173 1.00 13.03 C ATOM 699 C LYS A 53 0.768 2.165 -17.749 1.00 2.32 C ATOM 700 O LYS A 53 0.975 2.179 -18.962 1.00 74.03 O ATOM 701 CB LYS A 53 -1.381 2.479 -16.508 1.00 72.44 C ATOM 702 CG LYS A 53 -2.794 2.470 -17.065 1.00 73.23 C ATOM 703 CD LYS A 53 -3.818 2.809 -15.995 1.00 22.24 C ATOM 704 CE LYS A 53 -5.237 2.734 -16.536 1.00 70.44 C ATOM 705 NZ LYS A 53 -6.248 2.714 -15.443 1.00 2.00 N ATOM 0 H LYS A 53 -0.569 0.466 -15.330 1.00 23.55 H new ATOM 0 HA LYS A 53 -0.987 0.969 -17.989 1.00 13.03 H new ATOM 0 HB2 LYS A 53 -1.420 2.279 -15.437 1.00 72.44 H new ATOM 0 HB3 LYS A 53 -0.957 3.476 -16.630 1.00 72.44 H new ATOM 0 HG2 LYS A 53 -2.869 3.188 -17.882 1.00 73.23 H new ATOM 0 HG3 LYS A 53 -3.015 1.488 -17.483 1.00 73.23 H new ATOM 0 HD2 LYS A 53 -3.711 2.121 -15.157 1.00 22.24 H new ATOM 0 HD3 LYS A 53 -3.626 3.811 -15.611 1.00 22.24 H new ATOM 0 HE2 LYS A 53 -5.423 3.588 -17.187 1.00 70.44 H new ATOM 0 HE3 LYS A 53 -5.346 1.838 -17.147 1.00 70.44 H new ATOM 0 HZ1 LYS A 53 -7.162 2.394 -15.822 1.00 2.00 H new ATOM 0 HZ2 LYS A 53 -5.937 2.063 -14.694 1.00 2.00 H new ATOM 0 HZ3 LYS A 53 -6.352 3.671 -15.049 1.00 2.00 H new ATOM 719 N SER A 54 1.576 2.750 -16.871 1.00 4.34 N ATOM 720 CA SER A 54 2.777 3.461 -17.293 1.00 5.43 C ATOM 721 C SER A 54 3.666 2.566 -18.151 1.00 33.41 C ATOM 722 O SER A 54 4.169 2.986 -19.192 1.00 2.51 O ATOM 723 CB SER A 54 3.558 3.955 -16.073 1.00 43.44 C ATOM 724 OG SER A 54 4.524 4.923 -16.444 1.00 45.44 O ATOM 0 H SER A 54 1.421 2.746 -15.863 1.00 4.34 H new ATOM 0 HA SER A 54 2.470 4.319 -17.891 1.00 5.43 H new ATOM 0 HB2 SER A 54 2.869 4.384 -15.346 1.00 43.44 H new ATOM 0 HB3 SER A 54 4.051 3.113 -15.587 1.00 43.44 H new ATOM 0 HG SER A 54 5.008 5.224 -15.647 1.00 45.44 H new ATOM 730 N ALA A 55 3.853 1.328 -17.705 1.00 62.43 N ATOM 731 CA ALA A 55 4.678 0.371 -18.432 1.00 64.12 C ATOM 732 C ALA A 55 4.076 0.051 -19.796 1.00 50.10 C ATOM 733 O ALA A 55 4.790 -0.310 -20.731 1.00 72.40 O ATOM 734 CB ALA A 55 4.852 -0.903 -17.618 1.00 14.52 C ATOM 0 H ALA A 55 3.444 0.964 -16.844 1.00 62.43 H new ATOM 0 HA ALA A 55 5.657 0.823 -18.593 1.00 64.12 H new ATOM 0 HB1 ALA A 55 5.470 -1.608 -18.174 1.00 14.52 H new ATOM 0 HB2 ALA A 55 5.335 -0.666 -16.670 1.00 14.52 H new ATOM 0 HB3 ALA A 55 3.876 -1.349 -17.427 1.00 14.52 H new ATOM 740 N ALA A 56 2.758 0.186 -19.902 1.00 21.11 N ATOM 741 CA ALA A 56 2.060 -0.088 -21.152 1.00 42.41 C ATOM 742 C ALA A 56 2.241 1.057 -22.143 1.00 71.24 C ATOM 743 O ALA A 56 2.254 0.845 -23.355 1.00 44.12 O ATOM 744 CB ALA A 56 0.582 -0.332 -20.889 1.00 13.23 C ATOM 0 H ALA A 56 2.152 0.483 -19.137 1.00 21.11 H new ATOM 0 HA ALA A 56 2.492 -0.987 -21.592 1.00 42.41 H new ATOM 0 HB1 ALA A 56 0.073 -0.535 -21.831 1.00 13.23 H new ATOM 0 HB2 ALA A 56 0.467 -1.187 -20.223 1.00 13.23 H new ATOM 0 HB3 ALA A 56 0.145 0.551 -20.424 1.00 13.23 H new ATOM 750 N GLY A 57 2.379 2.271 -21.620 1.00 0.32 N ATOM 751 CA GLY A 57 2.556 3.431 -22.473 1.00 41.45 C ATOM 752 C GLY A 57 3.808 3.340 -23.323 1.00 51.14 C ATOM 753 O GLY A 57 3.900 3.974 -24.375 1.00 22.33 O ATOM 0 H GLY A 57 2.371 2.472 -20.620 1.00 0.32 H new ATOM 0 HA2 GLY A 57 1.687 3.537 -23.122 1.00 41.45 H new ATOM 0 HA3 GLY A 57 2.604 4.328 -21.856 1.00 41.45 H new ATOM 757 N SER A 58 4.775 2.551 -22.867 1.00 21.21 N ATOM 758 CA SER A 58 6.030 2.383 -23.590 1.00 42.31 C ATOM 759 C SER A 58 5.931 1.238 -24.593 1.00 34.21 C ATOM 760 O SER A 58 6.905 0.902 -25.266 1.00 62.25 O ATOM 761 CB SER A 58 7.176 2.121 -22.611 1.00 62.11 C ATOM 762 OG SER A 58 7.107 2.996 -21.499 1.00 2.22 O ATOM 0 H SER A 58 4.714 2.018 -22.000 1.00 21.21 H new ATOM 0 HA SER A 58 6.232 3.304 -24.136 1.00 42.31 H new ATOM 0 HB2 SER A 58 7.136 1.087 -22.267 1.00 62.11 H new ATOM 0 HB3 SER A 58 8.131 2.250 -23.121 1.00 62.11 H new ATOM 0 HG SER A 58 7.849 2.807 -20.888 1.00 2.22 H new ATOM 768 N ILE A 59 4.746 0.643 -24.686 1.00 24.53 N ATOM 769 CA ILE A 59 4.518 -0.464 -25.606 1.00 64.34 C ATOM 770 C ILE A 59 3.690 -0.019 -26.807 1.00 32.24 C ATOM 771 O ILE A 59 2.683 0.674 -26.658 1.00 50.30 O ATOM 772 CB ILE A 59 3.804 -1.638 -24.910 1.00 52.41 C ATOM 773 CG1 ILE A 59 4.356 -1.833 -23.497 1.00 30.14 C ATOM 774 CG2 ILE A 59 3.959 -2.912 -25.726 1.00 45.04 C ATOM 775 CD1 ILE A 59 3.718 -2.985 -22.753 1.00 14.05 C ATOM 0 H ILE A 59 3.930 0.909 -24.136 1.00 24.53 H new ATOM 0 HA ILE A 59 5.498 -0.797 -25.947 1.00 64.34 H new ATOM 0 HB ILE A 59 2.742 -1.405 -24.836 1.00 52.41 H new ATOM 0 HG12 ILE A 59 5.432 -2.000 -23.556 1.00 30.14 H new ATOM 0 HG13 ILE A 59 4.206 -0.916 -22.927 1.00 30.14 H new ATOM 0 HG21 ILE A 59 3.449 -3.732 -25.221 1.00 45.04 H new ATOM 0 HG22 ILE A 59 3.522 -2.767 -26.714 1.00 45.04 H new ATOM 0 HG23 ILE A 59 5.017 -3.152 -25.829 1.00 45.04 H new ATOM 0 HD11 ILE A 59 4.158 -3.064 -21.759 1.00 14.05 H new ATOM 0 HD12 ILE A 59 2.646 -2.811 -22.663 1.00 14.05 H new ATOM 0 HD13 ILE A 59 3.890 -3.912 -23.301 1.00 14.05 H new ATOM 787 N THR A 60 4.119 -0.424 -27.998 1.00 71.11 N ATOM 788 CA THR A 60 3.417 -0.068 -29.225 1.00 31.13 C ATOM 789 C THR A 60 2.521 -1.208 -29.696 1.00 12.32 C ATOM 790 O THR A 60 1.495 -0.980 -30.338 1.00 62.31 O ATOM 791 CB THR A 60 4.403 0.294 -30.351 1.00 70.13 C ATOM 792 OG1 THR A 60 3.719 0.999 -31.393 1.00 71.33 O ATOM 793 CG2 THR A 60 5.056 -0.956 -30.922 1.00 34.34 C ATOM 0 H THR A 60 4.950 -0.999 -28.139 1.00 71.11 H new ATOM 0 HA THR A 60 2.802 0.803 -28.997 1.00 31.13 H new ATOM 0 HB THR A 60 5.181 0.931 -29.931 1.00 70.13 H new ATOM 0 HG1 THR A 60 4.353 1.227 -32.105 1.00 71.33 H new ATOM 0 HG21 THR A 60 5.748 -0.675 -31.716 1.00 34.34 H new ATOM 0 HG22 THR A 60 5.600 -1.475 -30.133 1.00 34.34 H new ATOM 0 HG23 THR A 60 4.288 -1.615 -31.327 1.00 34.34 H new ATOM 801 N LYS A 61 2.913 -2.435 -29.373 1.00 23.25 N ATOM 802 CA LYS A 61 2.145 -3.612 -29.761 1.00 12.13 C ATOM 803 C LYS A 61 1.118 -3.969 -28.690 1.00 43.23 C ATOM 804 O LYS A 61 0.510 -5.039 -28.732 1.00 14.15 O ATOM 805 CB LYS A 61 3.079 -4.800 -30.003 1.00 10.34 C ATOM 806 CG LYS A 61 3.882 -4.690 -31.287 1.00 61.11 C ATOM 807 CD LYS A 61 4.955 -5.763 -31.367 1.00 4.31 C ATOM 808 CE LYS A 61 5.390 -6.010 -32.803 1.00 70.53 C ATOM 809 NZ LYS A 61 4.265 -6.502 -33.646 1.00 61.41 N ATOM 0 H LYS A 61 3.760 -2.641 -28.843 1.00 23.25 H new ATOM 0 HA LYS A 61 1.615 -3.380 -30.685 1.00 12.13 H new ATOM 0 HB2 LYS A 61 3.766 -4.889 -29.161 1.00 10.34 H new ATOM 0 HB3 LYS A 61 2.489 -5.716 -30.031 1.00 10.34 H new ATOM 0 HG2 LYS A 61 3.214 -4.778 -32.144 1.00 61.11 H new ATOM 0 HG3 LYS A 61 4.346 -3.705 -31.344 1.00 61.11 H new ATOM 0 HD2 LYS A 61 5.817 -5.462 -30.771 1.00 4.31 H new ATOM 0 HD3 LYS A 61 4.577 -6.690 -30.936 1.00 4.31 H new ATOM 0 HE2 LYS A 61 5.785 -5.087 -33.227 1.00 70.53 H new ATOM 0 HE3 LYS A 61 6.200 -6.739 -32.817 1.00 70.53 H new ATOM 0 HZ1 LYS A 61 4.644 -7.031 -34.457 1.00 61.41 H new ATOM 0 HZ2 LYS A 61 3.655 -7.126 -33.081 1.00 61.41 H new ATOM 0 HZ3 LYS A 61 3.709 -5.693 -33.990 1.00 61.41 H new ATOM 823 N LEU A 62 0.930 -3.066 -27.734 1.00 34.31 N ATOM 824 CA LEU A 62 -0.025 -3.285 -26.653 1.00 31.31 C ATOM 825 C LEU A 62 -1.453 -3.332 -27.188 1.00 43.31 C ATOM 826 O LEU A 62 -1.893 -2.421 -27.889 1.00 32.45 O ATOM 827 CB LEU A 62 0.102 -2.181 -25.602 1.00 41.11 C ATOM 828 CG LEU A 62 -0.963 -2.172 -24.505 1.00 74.04 C ATOM 829 CD1 LEU A 62 -0.669 -3.242 -23.466 1.00 64.51 C ATOM 830 CD2 LEU A 62 -1.045 -0.800 -23.852 1.00 61.02 C ATOM 0 H LEU A 62 1.426 -2.176 -27.685 1.00 34.31 H new ATOM 0 HA LEU A 62 0.202 -4.246 -26.191 1.00 31.31 H new ATOM 0 HB2 LEU A 62 1.081 -2.268 -25.130 1.00 41.11 H new ATOM 0 HB3 LEU A 62 0.078 -1.218 -26.111 1.00 41.11 H new ATOM 0 HG LEU A 62 -1.928 -2.393 -24.961 1.00 74.04 H new ATOM 0 HD11 LEU A 62 -1.438 -3.220 -22.694 1.00 64.51 H new ATOM 0 HD12 LEU A 62 -0.663 -4.222 -23.944 1.00 64.51 H new ATOM 0 HD13 LEU A 62 0.305 -3.053 -23.014 1.00 64.51 H new ATOM 0 HD21 LEU A 62 -1.808 -0.812 -23.074 1.00 61.02 H new ATOM 0 HD22 LEU A 62 -0.081 -0.549 -23.410 1.00 61.02 H new ATOM 0 HD23 LEU A 62 -1.305 -0.054 -24.603 1.00 61.02 H new ATOM 842 N ASN A 63 -2.171 -4.398 -26.851 1.00 51.03 N ATOM 843 CA ASN A 63 -3.550 -4.562 -27.297 1.00 30.31 C ATOM 844 C ASN A 63 -4.526 -4.299 -26.154 1.00 21.40 C ATOM 845 O ASN A 63 -4.863 -5.204 -25.390 1.00 34.23 O ATOM 846 CB ASN A 63 -3.764 -5.972 -27.851 1.00 72.22 C ATOM 847 CG ASN A 63 -3.042 -6.192 -29.166 1.00 60.24 C ATOM 848 OD1 ASN A 63 -1.823 -6.040 -29.251 1.00 53.02 O ATOM 849 ND2 ASN A 63 -3.793 -6.552 -30.201 1.00 31.34 N ATOM 0 H ASN A 63 -1.821 -5.161 -26.271 1.00 51.03 H new ATOM 0 HA ASN A 63 -3.739 -3.836 -28.087 1.00 30.31 H new ATOM 0 HB2 ASN A 63 -3.415 -6.703 -27.121 1.00 72.22 H new ATOM 0 HB3 ASN A 63 -4.831 -6.146 -27.992 1.00 72.22 H new ATOM 0 HD21 ASN A 63 -3.363 -6.714 -31.111 1.00 31.34 H new ATOM 0 HD22 ASN A 63 -4.800 -6.666 -30.085 1.00 31.34 H new ATOM 856 N THR A 64 -4.977 -3.054 -26.043 1.00 53.11 N ATOM 857 CA THR A 64 -5.914 -2.671 -24.994 1.00 42.11 C ATOM 858 C THR A 64 -7.120 -3.602 -24.967 1.00 31.51 C ATOM 859 O THR A 64 -7.752 -3.785 -23.927 1.00 63.02 O ATOM 860 CB THR A 64 -6.403 -1.222 -25.179 1.00 4.10 C ATOM 861 OG1 THR A 64 -7.202 -1.122 -26.363 1.00 3.31 O ATOM 862 CG2 THR A 64 -5.226 -0.262 -25.272 1.00 53.32 C ATOM 0 H THR A 64 -4.709 -2.293 -26.667 1.00 53.11 H new ATOM 0 HA THR A 64 -5.378 -2.748 -24.048 1.00 42.11 H new ATOM 0 HB THR A 64 -7.005 -0.951 -24.312 1.00 4.10 H new ATOM 0 HG1 THR A 64 -7.510 -0.198 -26.472 1.00 3.31 H new ATOM 0 HG21 THR A 64 -5.596 0.755 -25.402 1.00 53.32 H new ATOM 0 HG22 THR A 64 -4.636 -0.319 -24.357 1.00 53.32 H new ATOM 0 HG23 THR A 64 -4.602 -0.533 -26.123 1.00 53.32 H new ATOM 870 N ASN A 65 -7.434 -4.190 -26.117 1.00 30.21 N ATOM 871 CA ASN A 65 -8.566 -5.104 -26.224 1.00 64.04 C ATOM 872 C ASN A 65 -8.343 -6.348 -25.370 1.00 31.22 C ATOM 873 O ASN A 65 -9.240 -6.790 -24.653 1.00 51.32 O ATOM 874 CB ASN A 65 -8.786 -5.507 -27.684 1.00 2.21 C ATOM 875 CG ASN A 65 -9.741 -4.574 -28.403 1.00 43.13 C ATOM 876 OD1 ASN A 65 -10.953 -4.791 -28.408 1.00 4.34 O ATOM 877 ND2 ASN A 65 -9.197 -3.529 -29.017 1.00 12.04 N ATOM 0 H ASN A 65 -6.921 -4.050 -26.987 1.00 30.21 H new ATOM 0 HA ASN A 65 -9.454 -4.588 -25.858 1.00 64.04 H new ATOM 0 HB2 ASN A 65 -7.828 -5.514 -28.204 1.00 2.21 H new ATOM 0 HB3 ASN A 65 -9.177 -6.524 -27.723 1.00 2.21 H new ATOM 0 HD21 ASN A 65 -9.789 -2.867 -29.519 1.00 12.04 H new ATOM 0 HD22 ASN A 65 -8.187 -3.388 -28.987 1.00 12.04 H new ATOM 884 N ASN A 66 -7.140 -6.908 -25.451 1.00 74.14 N ATOM 885 CA ASN A 66 -6.799 -8.101 -24.686 1.00 34.54 C ATOM 886 C ASN A 66 -6.553 -7.756 -23.220 1.00 51.52 C ATOM 887 O ASN A 66 -6.583 -8.628 -22.352 1.00 53.55 O ATOM 888 CB ASN A 66 -5.560 -8.776 -25.277 1.00 40.34 C ATOM 889 CG ASN A 66 -5.808 -9.321 -26.670 1.00 71.15 C ATOM 890 OD1 ASN A 66 -6.807 -9.997 -26.916 1.00 32.45 O ATOM 891 ND2 ASN A 66 -4.897 -9.029 -27.591 1.00 41.41 N ATOM 0 H ASN A 66 -6.385 -6.554 -26.039 1.00 74.14 H new ATOM 0 HA ASN A 66 -7.641 -8.790 -24.743 1.00 34.54 H new ATOM 0 HB2 ASN A 66 -4.740 -8.059 -25.311 1.00 40.34 H new ATOM 0 HB3 ASN A 66 -5.245 -9.589 -24.622 1.00 40.34 H new ATOM 0 HD21 ASN A 66 -5.010 -9.368 -28.546 1.00 41.41 H new ATOM 0 HD22 ASN A 66 -4.084 -8.465 -27.343 1.00 41.41 H new ATOM 898 N ALA A 67 -6.310 -6.477 -22.953 1.00 2.43 N ATOM 899 CA ALA A 67 -6.061 -6.015 -21.593 1.00 10.42 C ATOM 900 C ALA A 67 -7.355 -5.954 -20.788 1.00 50.43 C ATOM 901 O ALA A 67 -7.380 -6.299 -19.607 1.00 64.15 O ATOM 902 CB ALA A 67 -5.386 -4.651 -21.614 1.00 24.31 C ATOM 0 H ALA A 67 -6.280 -5.743 -23.660 1.00 2.43 H new ATOM 0 HA ALA A 67 -5.396 -6.730 -21.109 1.00 10.42 H new ATOM 0 HB1 ALA A 67 -5.206 -4.318 -20.592 1.00 24.31 H new ATOM 0 HB2 ALA A 67 -4.437 -4.723 -22.145 1.00 24.31 H new ATOM 0 HB3 ALA A 67 -6.031 -3.933 -22.121 1.00 24.31 H new ATOM 908 N ALA A 68 -8.428 -5.511 -21.435 1.00 73.44 N ATOM 909 CA ALA A 68 -9.726 -5.407 -20.780 1.00 51.50 C ATOM 910 C ALA A 68 -10.373 -6.778 -20.621 1.00 30.23 C ATOM 911 O ALA A 68 -11.028 -7.053 -19.616 1.00 25.15 O ATOM 912 CB ALA A 68 -10.640 -4.478 -21.565 1.00 53.41 C ATOM 0 H ALA A 68 -8.424 -5.218 -22.412 1.00 73.44 H new ATOM 0 HA ALA A 68 -9.570 -4.991 -19.785 1.00 51.50 H new ATOM 0 HB1 ALA A 68 -11.606 -4.410 -21.065 1.00 53.41 H new ATOM 0 HB2 ALA A 68 -10.190 -3.487 -21.622 1.00 53.41 H new ATOM 0 HB3 ALA A 68 -10.780 -4.871 -22.572 1.00 53.41 H new ATOM 918 N ALA A 69 -10.186 -7.635 -21.619 1.00 60.11 N ATOM 919 CA ALA A 69 -10.750 -8.979 -21.589 1.00 14.44 C ATOM 920 C ALA A 69 -9.824 -9.947 -20.861 1.00 10.11 C ATOM 921 O ALA A 69 -10.203 -11.081 -20.564 1.00 14.52 O ATOM 922 CB ALA A 69 -11.024 -9.469 -23.003 1.00 4.41 C ATOM 0 H ALA A 69 -9.648 -7.422 -22.459 1.00 60.11 H new ATOM 0 HA ALA A 69 -11.692 -8.938 -21.042 1.00 14.44 H new ATOM 0 HB1 ALA A 69 -11.445 -10.474 -22.965 1.00 4.41 H new ATOM 0 HB2 ALA A 69 -11.731 -8.798 -23.490 1.00 4.41 H new ATOM 0 HB3 ALA A 69 -10.092 -9.487 -23.569 1.00 4.41 H new ATOM 928 N LEU A 70 -8.608 -9.494 -20.577 1.00 21.11 N ATOM 929 CA LEU A 70 -7.626 -10.321 -19.884 1.00 31.21 C ATOM 930 C LEU A 70 -8.186 -10.841 -18.564 1.00 14.32 C ATOM 931 O LEU A 70 -8.284 -12.046 -18.334 1.00 63.41 O ATOM 932 CB LEU A 70 -6.346 -9.523 -19.629 1.00 55.30 C ATOM 933 CG LEU A 70 -5.541 -9.922 -18.392 1.00 73.20 C ATOM 934 CD1 LEU A 70 -5.122 -11.382 -18.476 1.00 53.23 C ATOM 935 CD2 LEU A 70 -4.323 -9.024 -18.236 1.00 0.13 C ATOM 0 H LEU A 70 -8.278 -8.559 -20.816 1.00 21.11 H new ATOM 0 HA LEU A 70 -7.394 -11.175 -20.520 1.00 31.21 H new ATOM 0 HB2 LEU A 70 -5.702 -9.619 -20.503 1.00 55.30 H new ATOM 0 HB3 LEU A 70 -6.610 -8.469 -19.541 1.00 55.30 H new ATOM 0 HG LEU A 70 -6.174 -9.797 -17.514 1.00 73.20 H new ATOM 0 HD11 LEU A 70 -4.550 -11.648 -17.587 1.00 53.23 H new ATOM 0 HD12 LEU A 70 -6.009 -12.012 -18.539 1.00 53.23 H new ATOM 0 HD13 LEU A 70 -4.506 -11.533 -19.362 1.00 53.23 H new ATOM 0 HD21 LEU A 70 -3.762 -9.322 -17.350 1.00 0.13 H new ATOM 0 HD22 LEU A 70 -3.687 -9.117 -19.117 1.00 0.13 H new ATOM 0 HD23 LEU A 70 -4.646 -7.988 -18.129 1.00 0.13 H new ATOM 947 N PRO A 71 -8.566 -9.911 -17.675 1.00 11.20 N ATOM 948 CA PRO A 71 -9.126 -10.251 -16.364 1.00 31.03 C ATOM 949 C PRO A 71 -10.520 -10.860 -16.469 1.00 21.41 C ATOM 950 O PRO A 71 -10.942 -11.623 -15.601 1.00 23.32 O ATOM 951 CB PRO A 71 -9.185 -8.902 -15.642 1.00 73.24 C ATOM 952 CG PRO A 71 -9.270 -7.892 -16.734 1.00 73.23 C ATOM 953 CD PRO A 71 -8.479 -8.455 -17.882 1.00 23.51 C ATOM 0 HA PRO A 71 -8.527 -11.001 -15.847 1.00 31.03 H new ATOM 0 HB2 PRO A 71 -10.050 -8.844 -14.981 1.00 73.24 H new ATOM 0 HB3 PRO A 71 -8.301 -8.744 -15.025 1.00 73.24 H new ATOM 0 HG2 PRO A 71 -10.306 -7.716 -17.023 1.00 73.23 H new ATOM 0 HG3 PRO A 71 -8.862 -6.934 -16.412 1.00 73.23 H new ATOM 0 HD2 PRO A 71 -8.900 -8.160 -18.843 1.00 23.51 H new ATOM 0 HD3 PRO A 71 -7.446 -8.108 -17.867 1.00 23.51 H new ATOM 961 N GLY A 72 -11.231 -10.518 -17.539 1.00 73.51 N ATOM 962 CA GLY A 72 -12.570 -11.042 -17.738 1.00 12.41 C ATOM 963 C GLY A 72 -12.570 -12.513 -18.104 1.00 4.42 C ATOM 964 O GLY A 72 -13.257 -13.317 -17.474 1.00 62.34 O ATOM 0 H GLY A 72 -10.904 -9.888 -18.271 1.00 73.51 H new ATOM 0 HA2 GLY A 72 -13.152 -10.898 -16.828 1.00 12.41 H new ATOM 0 HA3 GLY A 72 -13.065 -10.475 -18.526 1.00 12.41 H new ATOM 968 N LYS A 73 -11.798 -12.866 -19.126 1.00 24.13 N ATOM 969 CA LYS A 73 -11.710 -14.250 -19.576 1.00 62.11 C ATOM 970 C LYS A 73 -11.175 -15.150 -18.467 1.00 31.31 C ATOM 971 O LYS A 73 -11.404 -16.360 -18.471 1.00 30.32 O ATOM 972 CB LYS A 73 -10.808 -14.351 -20.808 1.00 51.24 C ATOM 973 CG LYS A 73 -11.545 -14.141 -22.120 1.00 2.10 C ATOM 974 CD LYS A 73 -11.371 -12.723 -22.636 1.00 41.55 C ATOM 975 CE LYS A 73 -11.626 -12.639 -24.134 1.00 34.25 C ATOM 976 NZ LYS A 73 -12.907 -13.297 -24.515 1.00 41.21 N ATOM 0 H LYS A 73 -11.224 -12.212 -19.659 1.00 24.13 H new ATOM 0 HA LYS A 73 -12.714 -14.584 -19.839 1.00 62.11 H new ATOM 0 HB2 LYS A 73 -10.011 -13.612 -20.726 1.00 51.24 H new ATOM 0 HB3 LYS A 73 -10.333 -15.332 -20.821 1.00 51.24 H new ATOM 0 HG2 LYS A 73 -11.175 -14.848 -22.863 1.00 2.10 H new ATOM 0 HG3 LYS A 73 -12.605 -14.351 -21.980 1.00 2.10 H new ATOM 0 HD2 LYS A 73 -12.056 -12.057 -22.111 1.00 41.55 H new ATOM 0 HD3 LYS A 73 -10.361 -12.377 -22.418 1.00 41.55 H new ATOM 0 HE2 LYS A 73 -11.649 -11.593 -24.441 1.00 34.25 H new ATOM 0 HE3 LYS A 73 -10.802 -13.110 -24.670 1.00 34.25 H new ATOM 0 HZ1 LYS A 73 -13.147 -13.047 -25.496 1.00 41.21 H new ATOM 0 HZ2 LYS A 73 -12.804 -14.329 -24.436 1.00 41.21 H new ATOM 0 HZ3 LYS A 73 -13.665 -12.975 -23.880 1.00 41.21 H new ATOM 990 N CYS A 74 -10.463 -14.553 -17.518 1.00 11.55 N ATOM 991 CA CYS A 74 -9.897 -15.299 -16.401 1.00 64.50 C ATOM 992 C CYS A 74 -10.898 -15.406 -15.254 1.00 64.12 C ATOM 993 O CYS A 74 -10.564 -15.876 -14.167 1.00 54.30 O ATOM 994 CB CYS A 74 -8.612 -14.628 -15.911 1.00 31.43 C ATOM 995 SG CYS A 74 -7.240 -14.684 -17.108 1.00 53.11 S ATOM 0 H CYS A 74 -10.264 -13.553 -17.500 1.00 11.55 H new ATOM 0 HA CYS A 74 -9.663 -16.305 -16.750 1.00 64.50 H new ATOM 0 HB2 CYS A 74 -8.828 -13.587 -15.670 1.00 31.43 H new ATOM 0 HB3 CYS A 74 -8.293 -15.110 -14.987 1.00 31.43 H new ATOM 1000 N GLY A 75 -12.127 -14.966 -15.506 1.00 21.31 N ATOM 1001 CA GLY A 75 -13.158 -15.021 -14.486 1.00 3.11 C ATOM 1002 C GLY A 75 -12.812 -14.189 -13.267 1.00 41.30 C ATOM 1003 O GLY A 75 -12.482 -14.728 -12.211 1.00 64.50 O ATOM 0 H GLY A 75 -12.427 -14.573 -16.398 1.00 21.31 H new ATOM 0 HA2 GLY A 75 -14.100 -14.669 -14.907 1.00 3.11 H new ATOM 0 HA3 GLY A 75 -13.311 -16.057 -14.184 1.00 3.11 H new ATOM 1007 N VAL A 76 -12.886 -12.869 -13.413 1.00 21.54 N ATOM 1008 CA VAL A 76 -12.577 -11.961 -12.315 1.00 15.21 C ATOM 1009 C VAL A 76 -13.627 -10.861 -12.201 1.00 3.40 C ATOM 1010 O VAL A 76 -14.264 -10.492 -13.187 1.00 20.34 O ATOM 1011 CB VAL A 76 -11.190 -11.316 -12.493 1.00 53.43 C ATOM 1012 CG1 VAL A 76 -10.773 -10.586 -11.225 1.00 74.23 C ATOM 1013 CG2 VAL A 76 -10.160 -12.367 -12.877 1.00 3.41 C ATOM 0 H VAL A 76 -13.157 -12.406 -14.280 1.00 21.54 H new ATOM 0 HA VAL A 76 -12.577 -12.556 -11.402 1.00 15.21 H new ATOM 0 HB VAL A 76 -11.249 -10.586 -13.300 1.00 53.43 H new ATOM 0 HG11 VAL A 76 -9.790 -10.137 -11.370 1.00 74.23 H new ATOM 0 HG12 VAL A 76 -11.499 -9.805 -10.999 1.00 74.23 H new ATOM 0 HG13 VAL A 76 -10.730 -11.292 -10.396 1.00 74.23 H new ATOM 0 HG21 VAL A 76 -9.186 -11.894 -12.999 1.00 3.41 H new ATOM 0 HG22 VAL A 76 -10.101 -13.122 -12.093 1.00 3.41 H new ATOM 0 HG23 VAL A 76 -10.454 -12.839 -13.815 1.00 3.41 H new ATOM 1023 N ASN A 77 -13.800 -10.339 -10.991 1.00 34.12 N ATOM 1024 CA ASN A 77 -14.773 -9.280 -10.747 1.00 70.13 C ATOM 1025 C ASN A 77 -14.188 -7.914 -11.093 1.00 22.12 C ATOM 1026 O ASN A 77 -13.367 -7.374 -10.351 1.00 2.21 O ATOM 1027 CB ASN A 77 -15.224 -9.299 -9.285 1.00 62.33 C ATOM 1028 CG ASN A 77 -15.756 -10.655 -8.862 1.00 53.33 C ATOM 1029 OD1 ASN A 77 -16.749 -11.140 -9.404 1.00 34.51 O ATOM 1030 ND2 ASN A 77 -15.096 -11.272 -7.889 1.00 72.13 N ATOM 0 H ASN A 77 -13.279 -10.632 -10.164 1.00 34.12 H new ATOM 0 HA ASN A 77 -15.636 -9.459 -11.388 1.00 70.13 H new ATOM 0 HB2 ASN A 77 -14.385 -9.025 -8.645 1.00 62.33 H new ATOM 0 HB3 ASN A 77 -15.998 -8.546 -9.136 1.00 62.33 H new ATOM 0 HD21 ASN A 77 -15.407 -12.186 -7.562 1.00 72.13 H new ATOM 0 HD22 ASN A 77 -14.278 -10.832 -7.469 1.00 72.13 H new ATOM 1037 N ILE A 78 -14.616 -7.362 -12.223 1.00 13.43 N ATOM 1038 CA ILE A 78 -14.136 -6.058 -12.665 1.00 73.42 C ATOM 1039 C ILE A 78 -15.194 -5.334 -13.491 1.00 33.31 C ATOM 1040 O ILE A 78 -15.208 -5.397 -14.720 1.00 72.14 O ATOM 1041 CB ILE A 78 -12.849 -6.187 -13.500 1.00 44.33 C ATOM 1042 CG1 ILE A 78 -11.748 -6.862 -12.680 1.00 20.41 C ATOM 1043 CG2 ILE A 78 -12.392 -4.818 -13.983 1.00 72.14 C ATOM 1044 CD1 ILE A 78 -10.410 -6.907 -13.384 1.00 51.34 C ATOM 0 H ILE A 78 -15.294 -7.797 -12.849 1.00 13.43 H new ATOM 0 HA ILE A 78 -13.921 -5.479 -11.767 1.00 73.42 H new ATOM 0 HB ILE A 78 -13.060 -6.807 -14.371 1.00 44.33 H new ATOM 0 HG12 ILE A 78 -11.634 -6.332 -11.734 1.00 20.41 H new ATOM 0 HG13 ILE A 78 -12.057 -7.879 -12.440 1.00 20.41 H new ATOM 0 HG21 ILE A 78 -11.481 -4.925 -14.572 1.00 72.14 H new ATOM 0 HG22 ILE A 78 -13.172 -4.371 -14.599 1.00 72.14 H new ATOM 0 HG23 ILE A 78 -12.195 -4.176 -13.124 1.00 72.14 H new ATOM 0 HD11 ILE A 78 -9.678 -7.399 -12.743 1.00 51.34 H new ATOM 0 HD12 ILE A 78 -10.508 -7.463 -14.317 1.00 51.34 H new ATOM 0 HD13 ILE A 78 -10.078 -5.891 -13.600 1.00 51.34 H new ATOM 1056 N PRO A 79 -16.102 -4.628 -12.801 1.00 0.21 N ATOM 1057 CA PRO A 79 -17.180 -3.875 -13.450 1.00 64.41 C ATOM 1058 C PRO A 79 -16.662 -2.657 -14.206 1.00 42.24 C ATOM 1059 O PRO A 79 -17.423 -1.962 -14.880 1.00 35.14 O ATOM 1060 CB PRO A 79 -18.065 -3.442 -12.279 1.00 42.40 C ATOM 1061 CG PRO A 79 -17.150 -3.414 -11.103 1.00 55.21 C ATOM 1062 CD PRO A 79 -16.146 -4.509 -11.334 1.00 2.42 C ATOM 0 HA PRO A 79 -17.702 -4.472 -14.198 1.00 64.41 H new ATOM 0 HB2 PRO A 79 -18.509 -2.463 -12.459 1.00 42.40 H new ATOM 0 HB3 PRO A 79 -18.887 -4.141 -12.124 1.00 42.40 H new ATOM 0 HG2 PRO A 79 -16.658 -2.445 -11.014 1.00 55.21 H new ATOM 0 HG3 PRO A 79 -17.700 -3.578 -10.176 1.00 55.21 H new ATOM 0 HD2 PRO A 79 -15.170 -4.253 -10.922 1.00 2.42 H new ATOM 0 HD3 PRO A 79 -16.455 -5.443 -10.864 1.00 2.42 H new ATOM 1070 N TYR A 80 -15.363 -2.403 -14.092 1.00 30.24 N ATOM 1071 CA TYR A 80 -14.744 -1.267 -14.763 1.00 41.33 C ATOM 1072 C TYR A 80 -14.629 -1.517 -16.264 1.00 22.42 C ATOM 1073 O TYR A 80 -14.437 -2.651 -16.703 1.00 72.35 O ATOM 1074 CB TYR A 80 -13.360 -0.991 -14.173 1.00 41.13 C ATOM 1075 CG TYR A 80 -13.401 -0.273 -12.843 1.00 43.23 C ATOM 1076 CD1 TYR A 80 -14.025 -0.845 -11.742 1.00 32.02 C ATOM 1077 CD2 TYR A 80 -12.816 0.978 -12.688 1.00 60.13 C ATOM 1078 CE1 TYR A 80 -14.066 -0.193 -10.525 1.00 3.53 C ATOM 1079 CE2 TYR A 80 -12.850 1.637 -11.475 1.00 33.02 C ATOM 1080 CZ TYR A 80 -13.476 1.048 -10.396 1.00 74.12 C ATOM 1081 OH TYR A 80 -13.514 1.702 -9.186 1.00 70.10 O ATOM 0 H TYR A 80 -14.718 -2.969 -13.541 1.00 30.24 H new ATOM 0 HA TYR A 80 -15.379 -0.395 -14.606 1.00 41.33 H new ATOM 0 HB2 TYR A 80 -12.832 -1.936 -14.050 1.00 41.13 H new ATOM 0 HB3 TYR A 80 -12.785 -0.394 -14.881 1.00 41.13 H new ATOM 0 HD1 TYR A 80 -14.486 -1.817 -11.839 1.00 32.02 H new ATOM 0 HD2 TYR A 80 -12.326 1.443 -13.531 1.00 60.13 H new ATOM 0 HE1 TYR A 80 -14.557 -0.652 -9.679 1.00 3.53 H new ATOM 0 HE2 TYR A 80 -12.389 2.608 -11.372 1.00 33.02 H new ATOM 0 HH TYR A 80 -13.052 2.563 -9.265 1.00 70.10 H new ATOM 1091 N LYS A 81 -14.746 -0.450 -17.046 1.00 14.31 N ATOM 1092 CA LYS A 81 -14.654 -0.550 -18.498 1.00 31.24 C ATOM 1093 C LYS A 81 -13.201 -0.686 -18.942 1.00 73.02 C ATOM 1094 O LYS A 81 -12.919 -0.861 -20.128 1.00 74.20 O ATOM 1095 CB LYS A 81 -15.287 0.678 -19.156 1.00 33.23 C ATOM 1096 CG LYS A 81 -16.806 0.666 -19.131 1.00 61.11 C ATOM 1097 CD LYS A 81 -17.375 2.075 -19.156 1.00 30.42 C ATOM 1098 CE LYS A 81 -17.389 2.695 -17.767 1.00 21.40 C ATOM 1099 NZ LYS A 81 -18.622 2.337 -17.012 1.00 64.50 N ATOM 0 H LYS A 81 -14.905 0.496 -16.698 1.00 14.31 H new ATOM 0 HA LYS A 81 -15.197 -1.442 -18.811 1.00 31.24 H new ATOM 0 HB2 LYS A 81 -14.931 1.575 -18.650 1.00 33.23 H new ATOM 0 HB3 LYS A 81 -14.949 0.740 -20.191 1.00 33.23 H new ATOM 0 HG2 LYS A 81 -17.181 0.106 -19.988 1.00 61.11 H new ATOM 0 HG3 LYS A 81 -17.152 0.149 -18.236 1.00 61.11 H new ATOM 0 HD2 LYS A 81 -16.782 2.696 -19.827 1.00 30.42 H new ATOM 0 HD3 LYS A 81 -18.389 2.052 -19.556 1.00 30.42 H new ATOM 0 HE2 LYS A 81 -16.513 2.361 -17.211 1.00 21.40 H new ATOM 0 HE3 LYS A 81 -17.318 3.779 -17.853 1.00 21.40 H new ATOM 0 HZ1 LYS A 81 -18.593 2.779 -16.071 1.00 64.50 H new ATOM 0 HZ2 LYS A 81 -19.457 2.678 -17.529 1.00 64.50 H new ATOM 0 HZ3 LYS A 81 -18.678 1.304 -16.908 1.00 64.50 H new ATOM 1113 N ILE A 82 -12.284 -0.606 -17.984 1.00 52.42 N ATOM 1114 CA ILE A 82 -10.861 -0.722 -18.278 1.00 32.31 C ATOM 1115 C ILE A 82 -10.409 0.365 -19.246 1.00 42.23 C ATOM 1116 O ILE A 82 -10.611 0.257 -20.456 1.00 15.33 O ATOM 1117 CB ILE A 82 -10.521 -2.100 -18.876 1.00 21.34 C ATOM 1118 CG1 ILE A 82 -10.554 -3.175 -17.787 1.00 74.11 C ATOM 1119 CG2 ILE A 82 -9.157 -2.063 -19.549 1.00 73.33 C ATOM 1120 CD1 ILE A 82 -9.407 -3.077 -16.806 1.00 32.31 C ATOM 0 H ILE A 82 -12.501 -0.461 -16.998 1.00 52.42 H new ATOM 0 HA ILE A 82 -10.333 -0.605 -17.332 1.00 32.31 H new ATOM 0 HB ILE A 82 -11.270 -2.348 -19.628 1.00 21.34 H new ATOM 0 HG12 ILE A 82 -11.495 -3.100 -17.242 1.00 74.11 H new ATOM 0 HG13 ILE A 82 -10.536 -4.158 -18.258 1.00 74.11 H new ATOM 0 HG21 ILE A 82 -8.931 -3.044 -19.967 1.00 73.33 H new ATOM 0 HG22 ILE A 82 -9.165 -1.322 -20.348 1.00 73.33 H new ATOM 0 HG23 ILE A 82 -8.396 -1.797 -18.815 1.00 73.33 H new ATOM 0 HD11 ILE A 82 -9.495 -3.870 -16.063 1.00 32.31 H new ATOM 0 HD12 ILE A 82 -8.462 -3.183 -17.339 1.00 32.31 H new ATOM 0 HD13 ILE A 82 -9.436 -2.108 -16.308 1.00 32.31 H new ATOM 1132 N SER A 83 -9.793 1.412 -18.706 1.00 51.13 N ATOM 1133 CA SER A 83 -9.313 2.521 -19.522 1.00 41.23 C ATOM 1134 C SER A 83 -7.871 2.873 -19.167 1.00 35.21 C ATOM 1135 O SER A 83 -7.589 3.349 -18.067 1.00 44.30 O ATOM 1136 CB SER A 83 -10.210 3.746 -19.334 1.00 41.22 C ATOM 1137 OG SER A 83 -11.129 3.874 -20.405 1.00 13.30 O ATOM 0 H SER A 83 -9.615 1.515 -17.707 1.00 51.13 H new ATOM 0 HA SER A 83 -9.346 2.212 -20.567 1.00 41.23 H new ATOM 0 HB2 SER A 83 -10.753 3.662 -18.393 1.00 41.22 H new ATOM 0 HB3 SER A 83 -9.596 4.644 -19.268 1.00 41.22 H new ATOM 0 HG SER A 83 -11.692 4.663 -20.261 1.00 13.30 H new ATOM 1143 N THR A 84 -6.962 2.634 -20.107 1.00 2.25 N ATOM 1144 CA THR A 84 -5.549 2.924 -19.894 1.00 33.30 C ATOM 1145 C THR A 84 -5.329 4.404 -19.605 1.00 0.13 C ATOM 1146 O THR A 84 -4.286 4.797 -19.082 1.00 4.14 O ATOM 1147 CB THR A 84 -4.703 2.520 -21.116 1.00 21.51 C ATOM 1148 OG1 THR A 84 -5.238 3.117 -22.302 1.00 13.11 O ATOM 1149 CG2 THR A 84 -4.670 1.007 -21.275 1.00 24.04 C ATOM 0 H THR A 84 -7.179 2.241 -21.023 1.00 2.25 H new ATOM 0 HA THR A 84 -5.232 2.337 -19.032 1.00 33.30 H new ATOM 0 HB THR A 84 -3.685 2.876 -20.958 1.00 21.51 H new ATOM 0 HG1 THR A 84 -4.693 2.856 -23.074 1.00 13.11 H new ATOM 0 HG21 THR A 84 -4.067 0.746 -22.144 1.00 24.04 H new ATOM 0 HG22 THR A 84 -4.235 0.557 -20.383 1.00 24.04 H new ATOM 0 HG23 THR A 84 -5.685 0.633 -21.412 1.00 24.04 H new ATOM 1157 N THR A 85 -6.318 5.223 -19.948 1.00 15.14 N ATOM 1158 CA THR A 85 -6.232 6.661 -19.725 1.00 74.11 C ATOM 1159 C THR A 85 -6.800 7.041 -18.362 1.00 45.22 C ATOM 1160 O THR A 85 -6.774 8.209 -17.971 1.00 35.41 O ATOM 1161 CB THR A 85 -6.984 7.444 -20.818 1.00 3.51 C ATOM 1162 OG1 THR A 85 -8.389 7.187 -20.727 1.00 14.15 O ATOM 1163 CG2 THR A 85 -6.482 7.060 -22.201 1.00 45.24 C ATOM 0 H THR A 85 -7.188 4.915 -20.382 1.00 15.14 H new ATOM 0 HA THR A 85 -5.175 6.924 -19.761 1.00 74.11 H new ATOM 0 HB THR A 85 -6.799 8.507 -20.664 1.00 3.51 H new ATOM 0 HG1 THR A 85 -8.859 7.690 -21.424 1.00 14.15 H new ATOM 0 HG21 THR A 85 -7.028 7.626 -22.956 1.00 45.24 H new ATOM 0 HG22 THR A 85 -5.418 7.285 -22.277 1.00 45.24 H new ATOM 0 HG23 THR A 85 -6.640 5.994 -22.362 1.00 45.24 H new ATOM 1171 N THR A 86 -7.311 6.048 -17.641 1.00 1.21 N ATOM 1172 CA THR A 86 -7.885 6.279 -16.321 1.00 62.13 C ATOM 1173 C THR A 86 -6.795 6.500 -15.279 1.00 21.23 C ATOM 1174 O THR A 86 -5.736 5.876 -15.333 1.00 2.32 O ATOM 1175 CB THR A 86 -8.770 5.098 -15.880 1.00 13.44 C ATOM 1176 OG1 THR A 86 -9.903 4.984 -16.748 1.00 12.21 O ATOM 1177 CG2 THR A 86 -9.241 5.282 -14.445 1.00 10.32 C ATOM 0 H THR A 86 -7.339 5.076 -17.949 1.00 1.21 H new ATOM 0 HA THR A 86 -8.500 7.176 -16.395 1.00 62.13 H new ATOM 0 HB THR A 86 -8.176 4.186 -15.937 1.00 13.44 H new ATOM 0 HG1 THR A 86 -10.546 4.351 -16.365 1.00 12.21 H new ATOM 0 HG21 THR A 86 -9.864 4.436 -14.155 1.00 10.32 H new ATOM 0 HG22 THR A 86 -8.377 5.340 -13.783 1.00 10.32 H new ATOM 0 HG23 THR A 86 -9.820 6.202 -14.367 1.00 10.32 H new ATOM 1185 N ASN A 87 -7.062 7.391 -14.330 1.00 33.25 N ATOM 1186 CA ASN A 87 -6.103 7.694 -13.273 1.00 71.34 C ATOM 1187 C ASN A 87 -6.301 6.768 -12.077 1.00 12.01 C ATOM 1188 O ASN A 87 -7.278 6.891 -11.338 1.00 13.13 O ATOM 1189 CB ASN A 87 -6.242 9.152 -12.833 1.00 11.25 C ATOM 1190 CG ASN A 87 -4.930 9.736 -12.345 1.00 51.45 C ATOM 1191 OD1 ASN A 87 -3.856 9.218 -12.650 1.00 42.23 O ATOM 1192 ND2 ASN A 87 -5.012 10.821 -11.584 1.00 12.21 N ATOM 0 H ASN A 87 -7.934 7.916 -14.271 1.00 33.25 H new ATOM 0 HA ASN A 87 -5.100 7.536 -13.670 1.00 71.34 H new ATOM 0 HB2 ASN A 87 -6.613 9.747 -13.668 1.00 11.25 H new ATOM 0 HB3 ASN A 87 -6.985 9.220 -12.038 1.00 11.25 H new ATOM 0 HD21 ASN A 87 -4.163 11.259 -11.227 1.00 12.21 H new ATOM 0 HD22 ASN A 87 -5.924 11.217 -11.356 1.00 12.21 H new ATOM 1199 N CYS A 88 -5.367 5.841 -11.892 1.00 11.32 N ATOM 1200 CA CYS A 88 -5.437 4.894 -10.786 1.00 13.23 C ATOM 1201 C CYS A 88 -5.188 5.595 -9.453 1.00 61.32 C ATOM 1202 O CYS A 88 -5.378 5.010 -8.388 1.00 33.12 O ATOM 1203 CB CYS A 88 -4.417 3.771 -10.983 1.00 11.22 C ATOM 1204 SG CYS A 88 -4.332 3.135 -12.688 1.00 3.13 S ATOM 0 H CYS A 88 -4.552 5.726 -12.495 1.00 11.32 H new ATOM 0 HA CYS A 88 -6.439 4.466 -10.770 1.00 13.23 H new ATOM 0 HB2 CYS A 88 -3.431 4.135 -10.693 1.00 11.22 H new ATOM 0 HB3 CYS A 88 -4.664 2.949 -10.312 1.00 11.22 H new ATOM 1209 N ASN A 89 -4.761 6.851 -9.522 1.00 41.55 N ATOM 1210 CA ASN A 89 -4.485 7.632 -8.322 1.00 11.21 C ATOM 1211 C ASN A 89 -5.781 8.122 -7.682 1.00 45.32 C ATOM 1212 O ASN A 89 -5.803 8.504 -6.512 1.00 1.25 O ATOM 1213 CB ASN A 89 -3.587 8.824 -8.659 1.00 3.12 C ATOM 1214 CG ASN A 89 -2.123 8.541 -8.381 1.00 41.33 C ATOM 1215 OD1 ASN A 89 -1.742 8.230 -7.253 1.00 35.14 O ATOM 1216 ND2 ASN A 89 -1.294 8.649 -9.413 1.00 3.31 N ATOM 0 H ASN A 89 -4.598 7.350 -10.397 1.00 41.55 H new ATOM 0 HA ASN A 89 -3.970 6.988 -7.610 1.00 11.21 H new ATOM 0 HB2 ASN A 89 -3.711 9.083 -9.710 1.00 3.12 H new ATOM 0 HB3 ASN A 89 -3.904 9.690 -8.078 1.00 3.12 H new ATOM 0 HD21 ASN A 89 -0.297 8.471 -9.287 1.00 3.31 H new ATOM 0 HD22 ASN A 89 -1.654 8.910 -10.331 1.00 3.31 H new ATOM 1223 N THR A 90 -6.860 8.108 -8.458 1.00 42.44 N ATOM 1224 CA THR A 90 -8.159 8.551 -7.969 1.00 11.52 C ATOM 1225 C THR A 90 -9.011 7.369 -7.522 1.00 62.21 C ATOM 1226 O THR A 90 -10.224 7.493 -7.352 1.00 3.41 O ATOM 1227 CB THR A 90 -8.925 9.343 -9.045 1.00 42.45 C ATOM 1228 OG1 THR A 90 -9.288 8.476 -10.126 1.00 3.51 O ATOM 1229 CG2 THR A 90 -8.081 10.494 -9.573 1.00 54.13 C ATOM 0 H THR A 90 -6.860 7.794 -9.429 1.00 42.44 H new ATOM 0 HA THR A 90 -7.969 9.202 -7.116 1.00 11.52 H new ATOM 0 HB THR A 90 -9.827 9.753 -8.590 1.00 42.45 H new ATOM 0 HG1 THR A 90 -8.486 8.032 -10.473 1.00 3.51 H new ATOM 0 HG21 THR A 90 -8.643 11.039 -10.332 1.00 54.13 H new ATOM 0 HG22 THR A 90 -7.831 11.167 -8.753 1.00 54.13 H new ATOM 0 HG23 THR A 90 -7.164 10.101 -10.013 1.00 54.13 H new ATOM 1237 N VAL A 91 -8.368 6.221 -7.333 1.00 32.43 N ATOM 1238 CA VAL A 91 -9.067 5.015 -6.904 1.00 10.24 C ATOM 1239 C VAL A 91 -8.990 4.845 -5.391 1.00 32.44 C ATOM 1240 O VAL A 91 -8.196 5.504 -4.720 1.00 22.24 O ATOM 1241 CB VAL A 91 -8.487 3.759 -7.581 1.00 13.12 C ATOM 1242 CG1 VAL A 91 -8.266 4.007 -9.065 1.00 61.32 C ATOM 1243 CG2 VAL A 91 -7.192 3.339 -6.903 1.00 30.30 C ATOM 0 H VAL A 91 -7.364 6.101 -7.470 1.00 32.43 H new ATOM 0 HA VAL A 91 -10.109 5.130 -7.202 1.00 10.24 H new ATOM 0 HB VAL A 91 -9.205 2.946 -7.476 1.00 13.12 H new ATOM 0 HG11 VAL A 91 -7.856 3.109 -9.527 1.00 61.32 H new ATOM 0 HG12 VAL A 91 -9.216 4.257 -9.538 1.00 61.32 H new ATOM 0 HG13 VAL A 91 -7.568 4.834 -9.196 1.00 61.32 H new ATOM 0 HG21 VAL A 91 -6.796 2.450 -7.394 1.00 30.30 H new ATOM 0 HG22 VAL A 91 -6.465 4.148 -6.975 1.00 30.30 H new ATOM 0 HG23 VAL A 91 -7.386 3.118 -5.853 1.00 30.30 H new ATOM 1253 N LYS A 92 -9.821 3.955 -4.858 1.00 70.11 N ATOM 1254 CA LYS A 92 -9.847 3.695 -3.424 1.00 34.43 C ATOM 1255 C LYS A 92 -10.153 2.227 -3.143 1.00 24.24 C ATOM 1256 O LYS A 92 -10.167 1.400 -4.054 1.00 62.35 O ATOM 1257 CB LYS A 92 -10.891 4.583 -2.742 1.00 62.04 C ATOM 1258 CG LYS A 92 -12.324 4.180 -3.045 1.00 44.34 C ATOM 1259 CD LYS A 92 -13.310 5.243 -2.591 1.00 44.52 C ATOM 1260 CE LYS A 92 -14.703 4.984 -3.144 1.00 43.30 C ATOM 1261 NZ LYS A 92 -15.251 3.681 -2.677 1.00 61.34 N ATOM 0 H LYS A 92 -10.486 3.402 -5.399 1.00 70.11 H new ATOM 0 HA LYS A 92 -8.861 3.927 -3.020 1.00 34.43 H new ATOM 0 HB2 LYS A 92 -10.734 4.552 -1.664 1.00 62.04 H new ATOM 0 HB3 LYS A 92 -10.739 5.616 -3.056 1.00 62.04 H new ATOM 0 HG2 LYS A 92 -12.437 4.011 -4.116 1.00 44.34 H new ATOM 0 HG3 LYS A 92 -12.550 3.237 -2.548 1.00 44.34 H new ATOM 0 HD2 LYS A 92 -13.348 5.264 -1.502 1.00 44.52 H new ATOM 0 HD3 LYS A 92 -12.965 6.224 -2.917 1.00 44.52 H new ATOM 0 HE2 LYS A 92 -15.371 5.789 -2.838 1.00 43.30 H new ATOM 0 HE3 LYS A 92 -14.669 4.994 -4.233 1.00 43.30 H new ATOM 0 HZ1 LYS A 92 -16.221 3.564 -3.034 1.00 61.34 H new ATOM 0 HZ2 LYS A 92 -14.656 2.906 -3.033 1.00 61.34 H new ATOM 0 HZ3 LYS A 92 -15.260 3.661 -1.637 1.00 61.34 H new ATOM 1275 N PHE A 93 -10.398 1.910 -1.875 1.00 43.24 N ATOM 1276 CA PHE A 93 -10.703 0.542 -1.475 1.00 34.14 C ATOM 1277 C PHE A 93 -11.828 0.516 -0.443 1.00 63.52 C ATOM 1278 O PHE A 93 -12.569 -0.465 -0.384 1.00 5.51 O ATOM 1279 CB PHE A 93 -9.456 -0.135 -0.903 1.00 70.53 C ATOM 1280 CG PHE A 93 -9.749 -1.417 -0.176 1.00 54.33 C ATOM 1281 CD1 PHE A 93 -10.417 -2.452 -0.811 1.00 44.21 C ATOM 1282 CD2 PHE A 93 -9.358 -1.586 1.142 1.00 13.42 C ATOM 1283 CE1 PHE A 93 -10.688 -3.632 -0.145 1.00 62.21 C ATOM 1284 CE2 PHE A 93 -9.626 -2.764 1.813 1.00 13.21 C ATOM 1285 CZ PHE A 93 -10.293 -3.788 1.169 1.00 0.11 C ATOM 0 H PHE A 93 -10.391 2.582 -1.108 1.00 43.24 H new ATOM 0 HA PHE A 93 -11.031 -0.004 -2.359 1.00 34.14 H new ATOM 0 HB2 PHE A 93 -8.758 -0.339 -1.715 1.00 70.53 H new ATOM 0 HB3 PHE A 93 -8.959 0.555 -0.221 1.00 70.53 H new ATOM 0 HD1 PHE A 93 -10.729 -2.335 -1.838 1.00 44.21 H new ATOM 0 HD2 PHE A 93 -8.838 -0.788 1.651 1.00 13.42 H new ATOM 0 HE1 PHE A 93 -11.208 -4.431 -0.652 1.00 62.21 H new ATOM 0 HE2 PHE A 93 -9.314 -2.884 2.840 1.00 13.21 H new ATOM 0 HZ PHE A 93 -10.505 -4.709 1.692 1.00 0.11 H new TER 1295 PHE A 93 HETATM 1296 C1 PGM A 101 9.816 -3.412 -23.150 1.00 2.40 C HETATM 1297 O1 PGM A 101 10.676 -4.247 -23.929 1.00 64.11 O HETATM 1298 C2 PGM A 101 10.535 -2.129 -22.702 1.00 11.00 C HETATM 1299 O2 PGM A 101 10.497 -1.205 -23.786 1.00 55.12 O HETATM 1300 C3 PGM A 101 9.672 -1.530 -21.592 1.00 53.44 C HETATM 1301 O4 PGM A 101 9.807 -2.216 -20.340 1.00 51.02 O HETATM 1302 P5 PGM A 101 8.854 -1.606 -19.187 1.00 74.44 P HETATM 1303 O5A PGM A 101 8.311 -0.240 -19.323 1.00 2.11 O HETATM 1304 O5B PGM A 101 9.450 -1.899 -17.873 1.00 5.30 O HETATM 1305 O6 PGM A 101 7.507 -2.486 -19.308 1.00 2.32 O HETATM 1306 C7 PGM A 101 7.751 -3.883 -19.221 1.00 41.11 C HETATM 1307 C8 PGM A 101 6.601 -4.812 -19.610 1.00 21.24 C HETATM 1308 O8 PGM A 101 6.223 -4.735 -20.993 1.00 5.42 O HETATM 1309 C9 PGM A 101 5.400 -4.455 -18.737 1.00 71.22 C HETATM 1310 OQ1 PGM A 101 3.345 -2.869 -19.375 1.00 33.24 O HETATM 1311 OQ2 PGM A 101 4.203 -4.960 -19.353 1.00 43.25 O HETATM 1312 CA PGM A 101 3.190 -4.063 -19.567 1.00 73.15 C HETATM 1313 CB PGM A 101 1.843 -4.538 -20.117 1.00 24.14 C HETATM 1314 CC PGM A 101 0.768 -4.638 -19.019 1.00 62.04 C HETATM 1315 CD PGM A 101 -0.570 -4.509 -19.750 1.00 3.51 C HETATM 1316 CE PGM A 101 -1.096 -3.065 -19.748 1.00 0.45 C HETATM 1317 CF PGM A 101 -2.610 -2.948 -19.894 1.00 41.22 C HETATM 1318 CG PGM A 101 -3.469 -3.506 -18.752 1.00 71.05 C HETATM 1319 CH PGM A 101 -2.975 -3.097 -17.367 1.00 33.25 C HETATM 1320 CI PGM A 101 -3.408 -1.633 -17.204 1.00 5.40 C HETATM 1321 CJ PGM A 101 -4.783 -1.535 -16.546 1.00 64.42 C HETATM 1322 CK PGM A 101 -4.700 -1.273 -15.043 1.00 33.12 C HETATM 1323 CL PGM A 101 -5.509 -2.338 -14.299 1.00 51.10 C HETATM 1324 CM PGM A 101 -4.809 -2.455 -12.943 1.00 24.22 C HETATM 1325 CN PGM A 101 -5.529 -3.602 -12.247 1.00 51.32 C HETATM 1326 CO PGM A 101 -4.938 -4.899 -12.819 1.00 3.01 C HETATM 1327 CP PGM A 101 -3.849 -5.626 -12.028 1.00 74.11 C HETATM 0 HCP3 PGM A 101 -2.991 -4.967 -11.900 1.00 74.11 H new HETATM 0 HCP2 PGM A 101 -4.238 -5.910 -11.050 1.00 74.11 H new HETATM 0 HCP1 PGM A 101 -3.542 -6.521 -12.570 1.00 74.11 H new HETATM 0 HCO2 PGM A 101 -5.760 -5.599 -12.967 1.00 3.01 H new HETATM 0 HCO1 PGM A 101 -4.532 -4.670 -13.805 1.00 3.01 H new HETATM 0 HCN2 PGM A 101 -5.384 -3.553 -11.168 1.00 51.32 H new HETATM 0 HCN1 PGM A 101 -6.603 -3.552 -12.427 1.00 51.32 H new HETATM 0 HCM2 PGM A 101 -3.746 -2.665 -13.061 1.00 24.22 H new HETATM 0 HCM1 PGM A 101 -4.890 -1.530 -12.372 1.00 24.22 H new HETATM 0 HCL2 PGM A 101 -6.551 -2.040 -14.186 1.00 51.10 H new HETATM 0 HCL1 PGM A 101 -5.505 -3.288 -14.833 1.00 51.10 H new HETATM 0 HCK2 PGM A 101 -3.661 -1.294 -14.715 1.00 33.12 H new HETATM 0 HCK1 PGM A 101 -5.086 -0.280 -14.813 1.00 33.12 H new HETATM 0 HCJ2 PGM A 101 -5.352 -0.735 -17.019 1.00 64.42 H new HETATM 0 HCJ1 PGM A 101 -5.331 -2.461 -16.720 1.00 64.42 H new HETATM 0 HCI2 PGM A 101 -2.674 -1.099 -16.601 1.00 5.40 H new HETATM 0 HCI1 PGM A 101 -3.433 -1.147 -18.180 1.00 5.40 H new HETATM 0 HCH2 PGM A 101 -3.412 -3.726 -16.591 1.00 33.25 H new HETATM 0 HCH1 PGM A 101 -1.893 -3.199 -17.288 1.00 33.25 H new HETATM 0 HCG2 PGM A 101 -4.496 -3.164 -18.879 1.00 71.05 H new HETATM 0 HCG1 PGM A 101 -3.485 -4.594 -18.817 1.00 71.05 H new HETATM 0 HCF2 PGM A 101 -2.857 -1.894 -20.019 1.00 41.22 H new HETATM 0 HCF1 PGM A 101 -2.901 -3.454 -20.814 1.00 41.22 H new HETATM 0 HCE2 PGM A 101 -0.794 -2.582 -18.819 1.00 0.45 H new HETATM 0 HCE1 PGM A 101 -0.621 -2.517 -20.561 1.00 0.45 H new HETATM 0 HCD2 PGM A 101 -0.454 -4.850 -20.779 1.00 3.51 H new HETATM 0 HCD1 PGM A 101 -1.304 -5.162 -19.278 1.00 3.51 H new HETATM 0 HCC2 PGM A 101 0.836 -5.587 -18.488 1.00 62.04 H new HETATM 0 HCC1 PGM A 101 0.889 -3.848 -18.277 1.00 62.04 H new HETATM 0 HCB2 PGM A 101 1.506 -3.849 -20.891 1.00 24.14 H new HETATM 0 HCB1 PGM A 101 1.969 -5.512 -20.590 1.00 24.14 H new HETATM 0 HC92 PGM A 101 5.519 -4.882 -17.741 1.00 71.22 H new HETATM 0 HC91 PGM A 101 5.332 -3.374 -18.614 1.00 71.22 H new HETATM 0 HC72 PGM A 101 8.606 -4.118 -19.855 1.00 41.11 H new HETATM 0 HC71 PGM A 101 8.041 -4.113 -18.196 1.00 41.11 H new HETATM 0 HC32 PGM A 101 9.942 -0.483 -21.456 1.00 53.44 H new HETATM 0 HC31 PGM A 101 8.627 -1.553 -21.901 1.00 53.44 H new HETATM 0 HC12 PGM A 101 8.933 -3.151 -23.734 1.00 2.40 H new HETATM 0 HC11 PGM A 101 9.469 -3.961 -22.275 1.00 2.40 H new HETATM 0 HO8 PGM A 101 5.248 -4.800 -21.070 1.00 5.42 H new HETATM 0 HO2 PGM A 101 10.949 -0.376 -23.525 1.00 55.12 H new HETATM 0 HO1 PGM A 101 10.191 -5.055 -24.198 1.00 64.11 H new HETATM 0 HC8 PGM A 101 6.941 -5.836 -19.453 1.00 21.24 H new HETATM 0 HC2 PGM A 101 11.559 -2.328 -22.387 1.00 11.00 H new