USER MOD reduce.3.24.130724 H: found=0, std=0, add=901, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 914 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 43 ASN : amide:sc= 0.0225 K(o=-0.5,f=-2.7!) USER MOD Set 1.2: A 47 GLN : amide:sc= -0.522 K(o=-0.5,f=-2.7!) USER MOD Single : A 1 GLY N :NH3+ 169:sc= -0.0287 (180deg=-0.134) USER MOD Single : A 2 SER OG : rot -63:sc= 1.12 USER MOD Single : A 3 SER OG : rot 180:sc= -0.053 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.446 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.385) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= 0.475 X(o=0.48,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= -0.873 K(o=-0.87,f=-0.11) USER MOD Single : A 32 THR OG1 : rot 62:sc= 0.436 USER MOD Single : A 37 GLN : amide:sc= -2.3 K(o=-2.3,f=-7.1!) USER MOD Single : A 38 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0195) USER MOD Single : A 42 LYS NZ :NH3+ -104:sc= -1.61 (180deg=-3.98!) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HD1:sc= -0.0584 X(o=-0.058,f=-0.019) USER MOD Single : A 57 SER OG : rot -50:sc= 0.566 USER MOD Single : A 59 SER OG : rot 4:sc= 0.214 USER MOD Single : A 60 SER OG : rot 57:sc= 0.562 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0.00153 USER MOD Single : A 65 HIS : no HE2:sc= -1.77 K(o=-1.8,f=-5.1!) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 MET CE :methyl 154:sc= -0.316 (180deg=-1.39) USER MOD Single : A 77 GLN : amide:sc= 0.191 K(o=0.19,f=-1.1) USER MOD Single : A 78 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl -123:sc= -0.191 (180deg=-3.24!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 159:sc= 0.924 USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 ASN : amide:sc= -1.83 K(o=-1.8,f=-4.6!) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 49:sc= 0.673 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=-0.087) USER MOD Single : A 104 ASN : amide:sc= 0 X(o=0,f=-0.0013) USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=-0.0074) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot -86:sc= 0.109 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.833 28.152 -10.489 1.00 64.32 N ATOM 2 CA GLY A 1 1.712 29.305 -10.570 1.00 55.12 C ATOM 3 C GLY A 1 2.035 29.883 -9.206 1.00 3.23 C ATOM 4 O GLY A 1 2.268 31.084 -9.072 1.00 15.45 O ATOM 0 H1 GLY A 1 0.493 27.907 -11.441 1.00 64.32 H new ATOM 0 H2 GLY A 1 1.354 27.345 -10.090 1.00 64.32 H new ATOM 0 H3 GLY A 1 0.022 28.376 -9.878 1.00 64.32 H new ATOM 0 HA2 GLY A 1 2.638 29.018 -11.068 1.00 55.12 H new ATOM 0 HA3 GLY A 1 1.243 30.073 -11.185 1.00 55.12 H new ATOM 8 N SER A 2 2.049 29.026 -8.190 1.00 3.44 N ATOM 9 CA SER A 2 2.342 29.459 -6.829 1.00 53.34 C ATOM 10 C SER A 2 1.168 30.238 -6.244 1.00 13.25 C ATOM 11 O SER A 2 1.215 30.683 -5.096 1.00 3.42 O ATOM 12 CB SER A 2 3.604 30.322 -6.805 1.00 31.33 C ATOM 13 OG SER A 2 3.279 31.701 -6.768 1.00 41.14 O ATOM 0 H SER A 2 1.861 28.028 -8.284 1.00 3.44 H new ATOM 0 HA SER A 2 2.508 28.571 -6.219 1.00 53.34 H new ATOM 0 HB2 SER A 2 4.208 30.064 -5.935 1.00 31.33 H new ATOM 0 HB3 SER A 2 4.209 30.111 -7.687 1.00 31.33 H new ATOM 0 HG SER A 2 2.804 31.947 -7.589 1.00 41.14 H new ATOM 19 N SER A 3 0.116 30.400 -7.039 1.00 63.14 N ATOM 20 CA SER A 3 -1.070 31.127 -6.603 1.00 22.33 C ATOM 21 C SER A 3 -0.705 32.540 -6.156 1.00 43.01 C ATOM 22 O SER A 3 0.471 32.870 -6.002 1.00 14.13 O ATOM 23 CB SER A 3 -1.760 30.382 -5.459 1.00 42.31 C ATOM 24 OG SER A 3 -1.411 29.009 -5.461 1.00 41.24 O ATOM 0 H SER A 3 0.061 30.037 -7.991 1.00 63.14 H new ATOM 0 HA SER A 3 -1.755 31.195 -7.448 1.00 22.33 H new ATOM 0 HB2 SER A 3 -1.478 30.831 -4.506 1.00 42.31 H new ATOM 0 HB3 SER A 3 -2.841 30.486 -5.553 1.00 42.31 H new ATOM 0 HG SER A 3 -1.863 28.555 -4.719 1.00 41.24 H new ATOM 30 N GLY A 4 -1.723 33.371 -5.952 1.00 32.22 N ATOM 31 CA GLY A 4 -1.490 34.739 -5.525 1.00 42.24 C ATOM 32 C GLY A 4 -0.767 34.816 -4.195 1.00 50.10 C ATOM 33 O GLY A 4 0.314 35.399 -4.103 1.00 13.24 O ATOM 0 H GLY A 4 -2.704 33.122 -6.075 1.00 32.22 H new ATOM 0 HA2 GLY A 4 -0.905 35.258 -6.284 1.00 42.24 H new ATOM 0 HA3 GLY A 4 -2.444 35.260 -5.447 1.00 42.24 H new ATOM 37 N SER A 5 -1.365 34.230 -3.164 1.00 34.52 N ATOM 38 CA SER A 5 -0.774 34.240 -1.831 1.00 2.33 C ATOM 39 C SER A 5 -0.234 32.861 -1.465 1.00 71.42 C ATOM 40 O SER A 5 0.009 32.026 -2.336 1.00 53.11 O ATOM 41 CB SER A 5 -1.807 34.688 -0.795 1.00 35.34 C ATOM 42 OG SER A 5 -1.343 35.810 -0.065 1.00 14.14 O ATOM 0 H SER A 5 -2.259 33.742 -3.226 1.00 34.52 H new ATOM 0 HA SER A 5 0.056 34.946 -1.834 1.00 2.33 H new ATOM 0 HB2 SER A 5 -2.743 34.937 -1.294 1.00 35.34 H new ATOM 0 HB3 SER A 5 -2.020 33.867 -0.110 1.00 35.34 H new ATOM 0 HG SER A 5 -2.022 36.078 0.589 1.00 14.14 H new ATOM 48 N SER A 6 -0.049 32.629 -0.170 1.00 35.21 N ATOM 49 CA SER A 6 0.465 31.353 0.314 1.00 0.12 C ATOM 50 C SER A 6 -0.385 30.196 -0.202 1.00 31.41 C ATOM 51 O SER A 6 -1.282 30.386 -1.022 1.00 61.33 O ATOM 52 CB SER A 6 0.495 31.337 1.843 1.00 65.41 C ATOM 53 OG SER A 6 -0.477 30.448 2.363 1.00 72.12 O ATOM 0 H SER A 6 -0.248 33.309 0.564 1.00 35.21 H new ATOM 0 HA SER A 6 1.481 31.232 -0.062 1.00 0.12 H new ATOM 0 HB2 SER A 6 1.486 31.039 2.187 1.00 65.41 H new ATOM 0 HB3 SER A 6 0.314 32.342 2.224 1.00 65.41 H new ATOM 0 HG SER A 6 -0.436 30.455 3.342 1.00 72.12 H new ATOM 59 N GLY A 7 -0.093 28.993 0.286 1.00 71.01 N ATOM 60 CA GLY A 7 -0.839 27.821 -0.135 1.00 42.51 C ATOM 61 C GLY A 7 -0.136 26.526 0.222 1.00 14.04 C ATOM 62 O GLY A 7 0.581 26.459 1.221 1.00 51.12 O ATOM 0 H GLY A 7 0.646 28.810 0.965 1.00 71.01 H new ATOM 0 HA2 GLY A 7 -1.825 27.836 0.330 1.00 42.51 H new ATOM 0 HA3 GLY A 7 -0.994 27.861 -1.213 1.00 42.51 H new ATOM 66 N GLU A 8 -0.343 25.497 -0.593 1.00 34.31 N ATOM 67 CA GLU A 8 0.275 24.199 -0.353 1.00 70.43 C ATOM 68 C GLU A 8 1.323 23.890 -1.420 1.00 13.35 C ATOM 69 O GLU A 8 1.248 24.363 -2.554 1.00 51.13 O ATOM 70 CB GLU A 8 -0.788 23.098 -0.334 1.00 43.40 C ATOM 71 CG GLU A 8 -1.519 22.982 0.994 1.00 64.34 C ATOM 72 CD GLU A 8 -2.925 23.547 0.937 1.00 14.31 C ATOM 73 OE1 GLU A 8 -3.394 24.074 1.967 1.00 31.43 O ATOM 74 OE2 GLU A 8 -3.556 23.462 -0.138 1.00 54.10 O ATOM 0 H GLU A 8 -0.933 25.537 -1.424 1.00 34.31 H new ATOM 0 HA GLU A 8 0.768 24.235 0.618 1.00 70.43 H new ATOM 0 HB2 GLU A 8 -1.514 23.292 -1.123 1.00 43.40 H new ATOM 0 HB3 GLU A 8 -0.315 22.143 -0.564 1.00 43.40 H new ATOM 0 HG2 GLU A 8 -1.564 21.934 1.289 1.00 64.34 H new ATOM 0 HG3 GLU A 8 -0.952 23.506 1.764 1.00 64.34 H new ATOM 82 N PRO A 9 2.323 23.078 -1.048 1.00 71.02 N ATOM 83 CA PRO A 9 3.405 22.687 -1.957 1.00 44.51 C ATOM 84 C PRO A 9 2.924 21.752 -3.061 1.00 64.34 C ATOM 85 O PRO A 9 3.703 21.342 -3.922 1.00 62.55 O ATOM 86 CB PRO A 9 4.397 21.967 -1.039 1.00 44.34 C ATOM 87 CG PRO A 9 3.569 21.464 0.092 1.00 13.51 C ATOM 88 CD PRO A 9 2.475 22.477 0.287 1.00 2.10 C ATOM 0 HA PRO A 9 3.831 23.545 -2.477 1.00 44.51 H new ATOM 0 HB2 PRO A 9 4.896 21.149 -1.559 1.00 44.34 H new ATOM 0 HB3 PRO A 9 5.176 22.644 -0.689 1.00 44.34 H new ATOM 0 HG2 PRO A 9 3.155 20.481 -0.134 1.00 13.51 H new ATOM 0 HG3 PRO A 9 4.168 21.357 0.997 1.00 13.51 H new ATOM 0 HD2 PRO A 9 1.550 22.009 0.625 1.00 2.10 H new ATOM 0 HD3 PRO A 9 2.746 23.222 1.034 1.00 2.10 H new ATOM 96 N ALA A 10 1.639 21.419 -3.031 1.00 42.43 N ATOM 97 CA ALA A 10 1.054 20.534 -4.031 1.00 43.22 C ATOM 98 C ALA A 10 1.323 19.071 -3.693 1.00 45.11 C ATOM 99 O ALA A 10 0.435 18.226 -3.808 1.00 32.55 O ATOM 100 CB ALA A 10 1.597 20.867 -5.413 1.00 22.33 C ATOM 0 H ALA A 10 0.982 21.749 -2.324 1.00 42.43 H new ATOM 0 HA ALA A 10 -0.025 20.688 -4.030 1.00 43.22 H new ATOM 0 HB1 ALA A 10 1.152 20.198 -6.150 1.00 22.33 H new ATOM 0 HB2 ALA A 10 1.349 21.899 -5.662 1.00 22.33 H new ATOM 0 HB3 ALA A 10 2.680 20.743 -5.418 1.00 22.33 H new ATOM 106 N GLU A 11 2.552 18.780 -3.279 1.00 71.50 N ATOM 107 CA GLU A 11 2.936 17.418 -2.926 1.00 65.42 C ATOM 108 C GLU A 11 2.236 16.969 -1.646 1.00 3.45 C ATOM 109 O GLU A 11 1.703 15.863 -1.575 1.00 74.45 O ATOM 110 CB GLU A 11 4.453 17.321 -2.752 1.00 4.11 C ATOM 111 CG GLU A 11 5.227 17.465 -4.052 1.00 4.12 C ATOM 112 CD GLU A 11 5.508 18.912 -4.406 1.00 43.33 C ATOM 113 OE1 GLU A 11 6.373 19.526 -3.748 1.00 4.02 O ATOM 114 OE2 GLU A 11 4.863 19.432 -5.342 1.00 21.20 O ATOM 0 H GLU A 11 3.298 19.468 -3.180 1.00 71.50 H new ATOM 0 HA GLU A 11 2.628 16.759 -3.738 1.00 65.42 H new ATOM 0 HB2 GLU A 11 4.780 18.094 -2.057 1.00 4.11 H new ATOM 0 HB3 GLU A 11 4.697 16.360 -2.298 1.00 4.11 H new ATOM 0 HG2 GLU A 11 6.170 16.925 -3.971 1.00 4.12 H new ATOM 0 HG3 GLU A 11 4.662 17.000 -4.860 1.00 4.12 H new ATOM 122 N ILE A 12 2.244 17.836 -0.641 1.00 31.54 N ATOM 123 CA ILE A 12 1.610 17.529 0.637 1.00 4.34 C ATOM 124 C ILE A 12 0.129 17.219 0.453 1.00 12.21 C ATOM 125 O ILE A 12 -0.371 16.209 0.947 1.00 31.42 O ATOM 126 CB ILE A 12 1.761 18.693 1.633 1.00 0.23 C ATOM 127 CG1 ILE A 12 3.200 18.774 2.144 1.00 22.53 C ATOM 128 CG2 ILE A 12 0.791 18.526 2.793 1.00 72.35 C ATOM 129 CD1 ILE A 12 3.487 20.020 2.951 1.00 61.30 C ATOM 0 H ILE A 12 2.682 18.756 -0.685 1.00 31.54 H new ATOM 0 HA ILE A 12 2.115 16.651 1.039 1.00 4.34 H new ATOM 0 HB ILE A 12 1.526 19.624 1.118 1.00 0.23 H new ATOM 0 HG12 ILE A 12 3.408 17.898 2.758 1.00 22.53 H new ATOM 0 HG13 ILE A 12 3.881 18.737 1.294 1.00 22.53 H new ATOM 0 HG21 ILE A 12 0.910 19.357 3.489 1.00 72.35 H new ATOM 0 HG22 ILE A 12 -0.231 18.513 2.414 1.00 72.35 H new ATOM 0 HG23 ILE A 12 0.998 17.588 3.309 1.00 72.35 H new ATOM 0 HD11 ILE A 12 4.526 20.009 3.280 1.00 61.30 H new ATOM 0 HD12 ILE A 12 3.311 20.901 2.334 1.00 61.30 H new ATOM 0 HD13 ILE A 12 2.831 20.049 3.821 1.00 61.30 H new ATOM 141 N LYS A 13 -0.569 18.095 -0.262 1.00 34.22 N ATOM 142 CA LYS A 13 -1.994 17.914 -0.514 1.00 4.23 C ATOM 143 C LYS A 13 -2.285 16.501 -1.008 1.00 50.21 C ATOM 144 O LYS A 13 -3.337 15.934 -0.709 1.00 31.31 O ATOM 145 CB LYS A 13 -2.484 18.937 -1.542 1.00 40.42 C ATOM 146 CG LYS A 13 -2.713 18.347 -2.924 1.00 14.05 C ATOM 147 CD LYS A 13 -3.095 19.418 -3.931 1.00 53.42 C ATOM 148 CE LYS A 13 -4.560 19.811 -3.798 1.00 21.41 C ATOM 149 NZ LYS A 13 -4.746 21.287 -3.866 1.00 20.23 N ATOM 0 H LYS A 13 -0.171 18.937 -0.677 1.00 34.22 H new ATOM 0 HA LYS A 13 -2.526 18.067 0.425 1.00 4.23 H new ATOM 0 HB2 LYS A 13 -3.414 19.380 -1.186 1.00 40.42 H new ATOM 0 HB3 LYS A 13 -1.754 19.743 -1.616 1.00 40.42 H new ATOM 0 HG2 LYS A 13 -1.809 17.838 -3.258 1.00 14.05 H new ATOM 0 HG3 LYS A 13 -3.501 17.596 -2.874 1.00 14.05 H new ATOM 0 HD2 LYS A 13 -2.467 20.297 -3.785 1.00 53.42 H new ATOM 0 HD3 LYS A 13 -2.905 19.054 -4.941 1.00 53.42 H new ATOM 0 HE2 LYS A 13 -5.137 19.335 -4.591 1.00 21.41 H new ATOM 0 HE3 LYS A 13 -4.952 19.439 -2.851 1.00 21.41 H new ATOM 0 HZ1 LYS A 13 -5.756 21.514 -3.772 1.00 20.23 H new ATOM 0 HZ2 LYS A 13 -4.216 21.740 -3.094 1.00 20.23 H new ATOM 0 HZ3 LYS A 13 -4.396 21.639 -4.780 1.00 20.23 H new ATOM 163 N ILE A 14 -1.347 15.938 -1.762 1.00 74.03 N ATOM 164 CA ILE A 14 -1.502 14.590 -2.293 1.00 75.33 C ATOM 165 C ILE A 14 -1.338 13.545 -1.196 1.00 74.34 C ATOM 166 O ILE A 14 -2.141 12.617 -1.083 1.00 72.15 O ATOM 167 CB ILE A 14 -0.485 14.306 -3.413 1.00 72.44 C ATOM 168 CG1 ILE A 14 -0.749 15.215 -4.615 1.00 75.54 C ATOM 169 CG2 ILE A 14 -0.544 12.843 -3.825 1.00 60.14 C ATOM 170 CD1 ILE A 14 0.448 15.375 -5.526 1.00 45.44 C ATOM 0 H ILE A 14 -0.472 16.395 -2.019 1.00 74.03 H new ATOM 0 HA ILE A 14 -2.510 14.527 -2.704 1.00 75.33 H new ATOM 0 HB ILE A 14 0.516 14.516 -3.036 1.00 72.44 H new ATOM 0 HG12 ILE A 14 -1.582 14.810 -5.190 1.00 75.54 H new ATOM 0 HG13 ILE A 14 -1.057 16.197 -4.257 1.00 75.54 H new ATOM 0 HG21 ILE A 14 0.181 12.659 -4.618 1.00 60.14 H new ATOM 0 HG22 ILE A 14 -0.311 12.213 -2.966 1.00 60.14 H new ATOM 0 HG23 ILE A 14 -1.545 12.607 -4.187 1.00 60.14 H new ATOM 0 HD11 ILE A 14 0.188 16.032 -6.356 1.00 45.44 H new ATOM 0 HD12 ILE A 14 1.276 15.808 -4.966 1.00 45.44 H new ATOM 0 HD13 ILE A 14 0.743 14.400 -5.914 1.00 45.44 H new ATOM 182 N ILE A 15 -0.296 13.700 -0.388 1.00 13.00 N ATOM 183 CA ILE A 15 -0.028 12.770 0.703 1.00 74.22 C ATOM 184 C ILE A 15 -1.228 12.661 1.639 1.00 23.22 C ATOM 185 O ILE A 15 -1.476 11.609 2.228 1.00 63.32 O ATOM 186 CB ILE A 15 1.206 13.198 1.518 1.00 30.34 C ATOM 187 CG1 ILE A 15 2.437 13.283 0.612 1.00 34.32 C ATOM 188 CG2 ILE A 15 1.450 12.225 2.662 1.00 43.23 C ATOM 189 CD1 ILE A 15 3.624 13.955 1.266 1.00 55.40 C ATOM 0 H ILE A 15 0.378 14.462 -0.468 1.00 13.00 H new ATOM 0 HA ILE A 15 0.166 11.798 0.249 1.00 74.22 H new ATOM 0 HB ILE A 15 1.019 14.185 1.941 1.00 30.34 H new ATOM 0 HG12 ILE A 15 2.723 12.277 0.306 1.00 34.32 H new ATOM 0 HG13 ILE A 15 2.174 13.829 -0.294 1.00 34.32 H new ATOM 0 HG21 ILE A 15 2.326 12.542 3.228 1.00 43.23 H new ATOM 0 HG22 ILE A 15 0.580 12.209 3.318 1.00 43.23 H new ATOM 0 HG23 ILE A 15 1.620 11.226 2.260 1.00 43.23 H new ATOM 0 HD11 ILE A 15 4.459 13.980 0.566 1.00 55.40 H new ATOM 0 HD12 ILE A 15 3.356 14.973 1.547 1.00 55.40 H new ATOM 0 HD13 ILE A 15 3.913 13.397 2.156 1.00 55.40 H new ATOM 201 N ARG A 16 -1.970 13.757 1.770 1.00 14.01 N ATOM 202 CA ARG A 16 -3.144 13.785 2.635 1.00 63.33 C ATOM 203 C ARG A 16 -4.249 12.890 2.078 1.00 44.41 C ATOM 204 O ARG A 16 -4.920 12.179 2.825 1.00 31.35 O ATOM 205 CB ARG A 16 -3.659 15.217 2.783 1.00 54.03 C ATOM 206 CG ARG A 16 -3.658 15.718 4.219 1.00 43.34 C ATOM 207 CD ARG A 16 -4.360 17.062 4.340 1.00 71.33 C ATOM 208 NE ARG A 16 -3.432 18.180 4.185 1.00 21.44 N ATOM 209 CZ ARG A 16 -2.535 18.523 5.105 1.00 53.14 C ATOM 210 NH1 ARG A 16 -2.446 17.838 6.237 1.00 42.50 N ATOM 211 NH2 ARG A 16 -1.727 19.552 4.891 1.00 23.45 N ATOM 0 H ARG A 16 -1.779 14.636 1.289 1.00 14.01 H new ATOM 0 HA ARG A 16 -2.853 13.408 3.615 1.00 63.33 H new ATOM 0 HB2 ARG A 16 -3.044 15.880 2.175 1.00 54.03 H new ATOM 0 HB3 ARG A 16 -4.674 15.272 2.388 1.00 54.03 H new ATOM 0 HG2 ARG A 16 -4.153 14.989 4.860 1.00 43.34 H new ATOM 0 HG3 ARG A 16 -2.631 15.809 4.573 1.00 43.34 H new ATOM 0 HD2 ARG A 16 -5.142 17.132 3.584 1.00 71.33 H new ATOM 0 HD3 ARG A 16 -4.850 17.129 5.312 1.00 71.33 H new ATOM 0 HE ARG A 16 -3.474 18.727 3.325 1.00 21.44 H new ATOM 0 HH11 ARG A 16 -3.066 17.046 6.404 1.00 42.50 H new ATOM 0 HH12 ARG A 16 -1.757 18.103 6.941 1.00 42.50 H new ATOM 0 HH21 ARG A 16 -1.793 20.080 4.021 1.00 23.45 H new ATOM 0 HH22 ARG A 16 -1.039 19.815 5.596 1.00 23.45 H new ATOM 225 N GLU A 17 -4.433 12.933 0.762 1.00 0.13 N ATOM 226 CA GLU A 17 -5.458 12.129 0.107 1.00 35.13 C ATOM 227 C GLU A 17 -5.067 10.653 0.100 1.00 22.10 C ATOM 228 O GLU A 17 -5.862 9.789 0.467 1.00 63.45 O ATOM 229 CB GLU A 17 -5.681 12.616 -1.326 1.00 72.04 C ATOM 230 CG GLU A 17 -6.182 11.532 -2.266 1.00 54.10 C ATOM 231 CD GLU A 17 -6.810 12.096 -3.525 1.00 51.05 C ATOM 232 OE1 GLU A 17 -6.366 13.173 -3.976 1.00 42.50 O ATOM 233 OE2 GLU A 17 -7.742 11.460 -4.060 1.00 15.13 O ATOM 0 H GLU A 17 -3.886 13.516 0.129 1.00 0.13 H new ATOM 0 HA GLU A 17 -6.386 12.240 0.668 1.00 35.13 H new ATOM 0 HB2 GLU A 17 -6.399 13.436 -1.315 1.00 72.04 H new ATOM 0 HB3 GLU A 17 -4.745 13.018 -1.714 1.00 72.04 H new ATOM 0 HG2 GLU A 17 -5.352 10.881 -2.539 1.00 54.10 H new ATOM 0 HG3 GLU A 17 -6.913 10.914 -1.745 1.00 54.10 H new ATOM 241 N ALA A 18 -3.837 10.375 -0.320 1.00 54.52 N ATOM 242 CA ALA A 18 -3.341 9.005 -0.374 1.00 34.24 C ATOM 243 C ALA A 18 -3.231 8.406 1.023 1.00 74.20 C ATOM 244 O ALA A 18 -3.516 7.225 1.227 1.00 55.50 O ATOM 245 CB ALA A 18 -1.994 8.960 -1.078 1.00 33.34 C ATOM 0 H ALA A 18 -3.166 11.079 -0.627 1.00 54.52 H new ATOM 0 HA ALA A 18 -4.055 8.408 -0.941 1.00 34.24 H new ATOM 0 HB1 ALA A 18 -1.635 7.931 -1.111 1.00 33.34 H new ATOM 0 HB2 ALA A 18 -2.102 9.340 -2.094 1.00 33.34 H new ATOM 0 HB3 ALA A 18 -1.278 9.576 -0.534 1.00 33.34 H new ATOM 251 N TYR A 19 -2.814 9.226 1.983 1.00 70.22 N ATOM 252 CA TYR A 19 -2.663 8.774 3.361 1.00 60.45 C ATOM 253 C TYR A 19 -3.994 8.283 3.922 1.00 12.34 C ATOM 254 O TYR A 19 -4.042 7.316 4.685 1.00 44.12 O ATOM 255 CB TYR A 19 -2.115 9.906 4.232 1.00 75.02 C ATOM 256 CG TYR A 19 -2.234 9.638 5.716 1.00 40.11 C ATOM 257 CD1 TYR A 19 -1.412 8.709 6.342 1.00 12.24 C ATOM 258 CD2 TYR A 19 -3.168 10.313 6.491 1.00 4.53 C ATOM 259 CE1 TYR A 19 -1.517 8.462 7.698 1.00 52.03 C ATOM 260 CE2 TYR A 19 -3.280 10.074 7.847 1.00 74.43 C ATOM 261 CZ TYR A 19 -2.452 9.147 8.445 1.00 14.33 C ATOM 262 OH TYR A 19 -2.561 8.903 9.796 1.00 65.34 O ATOM 0 H TYR A 19 -2.575 10.206 1.832 1.00 70.22 H new ATOM 0 HA TYR A 19 -1.958 7.943 3.370 1.00 60.45 H new ATOM 0 HB2 TYR A 19 -1.066 10.070 3.983 1.00 75.02 H new ATOM 0 HB3 TYR A 19 -2.647 10.827 3.994 1.00 75.02 H new ATOM 0 HD1 TYR A 19 -0.679 8.171 5.759 1.00 12.24 H new ATOM 0 HD2 TYR A 19 -3.819 11.038 6.025 1.00 4.53 H new ATOM 0 HE1 TYR A 19 -0.871 7.737 8.170 1.00 52.03 H new ATOM 0 HE2 TYR A 19 -4.011 10.609 8.435 1.00 74.43 H new ATOM 0 HH TYR A 19 -3.266 9.468 10.175 1.00 65.34 H new ATOM 272 N LYS A 20 -5.074 8.956 3.540 1.00 21.45 N ATOM 273 CA LYS A 20 -6.409 8.589 4.001 1.00 33.23 C ATOM 274 C LYS A 20 -6.932 7.372 3.244 1.00 31.45 C ATOM 275 O LYS A 20 -7.051 6.283 3.805 1.00 12.10 O ATOM 276 CB LYS A 20 -7.372 9.764 3.827 1.00 4.24 C ATOM 277 CG LYS A 20 -8.543 9.740 4.792 1.00 52.11 C ATOM 278 CD LYS A 20 -9.808 10.285 4.149 1.00 73.23 C ATOM 279 CE LYS A 20 -10.794 10.784 5.194 1.00 61.11 C ATOM 280 NZ LYS A 20 -10.822 9.904 6.396 1.00 22.43 N ATOM 0 H LYS A 20 -5.051 9.759 2.912 1.00 21.45 H new ATOM 0 HA LYS A 20 -6.343 8.335 5.059 1.00 33.23 H new ATOM 0 HB2 LYS A 20 -6.822 10.696 3.960 1.00 4.24 H new ATOM 0 HB3 LYS A 20 -7.754 9.762 2.806 1.00 4.24 H new ATOM 0 HG2 LYS A 20 -8.717 8.718 5.129 1.00 52.11 H new ATOM 0 HG3 LYS A 20 -8.300 10.330 5.675 1.00 52.11 H new ATOM 0 HD2 LYS A 20 -9.551 11.099 3.471 1.00 73.23 H new ATOM 0 HD3 LYS A 20 -10.277 9.506 3.548 1.00 73.23 H new ATOM 0 HE2 LYS A 20 -10.525 11.797 5.492 1.00 61.11 H new ATOM 0 HE3 LYS A 20 -11.791 10.834 4.757 1.00 61.11 H new ATOM 0 HZ1 LYS A 20 -11.692 10.083 6.937 1.00 22.43 H new ATOM 0 HZ2 LYS A 20 -10.799 8.908 6.098 1.00 22.43 H new ATOM 0 HZ3 LYS A 20 -9.995 10.106 6.993 1.00 22.43 H new ATOM 294 N LYS A 21 -7.238 7.564 1.966 1.00 34.05 N ATOM 295 CA LYS A 21 -7.745 6.483 1.130 1.00 43.15 C ATOM 296 C LYS A 21 -6.984 5.188 1.394 1.00 1.01 C ATOM 297 O LYS A 21 -7.580 4.117 1.500 1.00 20.21 O ATOM 298 CB LYS A 21 -7.635 6.860 -0.349 1.00 72.13 C ATOM 299 CG LYS A 21 -8.372 8.138 -0.708 1.00 31.13 C ATOM 300 CD LYS A 21 -9.134 7.995 -2.015 1.00 20.25 C ATOM 301 CE LYS A 21 -10.078 9.166 -2.239 1.00 62.33 C ATOM 302 NZ LYS A 21 -11.157 8.829 -3.209 1.00 10.33 N ATOM 0 H LYS A 21 -7.144 8.459 1.486 1.00 34.05 H new ATOM 0 HA LYS A 21 -8.794 6.324 1.381 1.00 43.15 H new ATOM 0 HB2 LYS A 21 -6.582 6.972 -0.609 1.00 72.13 H new ATOM 0 HB3 LYS A 21 -8.027 6.042 -0.954 1.00 72.13 H new ATOM 0 HG2 LYS A 21 -9.066 8.396 0.092 1.00 31.13 H new ATOM 0 HG3 LYS A 21 -7.660 8.959 -0.789 1.00 31.13 H new ATOM 0 HD2 LYS A 21 -8.429 7.931 -2.844 1.00 20.25 H new ATOM 0 HD3 LYS A 21 -9.702 7.065 -2.007 1.00 20.25 H new ATOM 0 HE2 LYS A 21 -10.523 9.461 -1.289 1.00 62.33 H new ATOM 0 HE3 LYS A 21 -9.513 10.023 -2.607 1.00 62.33 H new ATOM 0 HZ1 LYS A 21 -11.780 9.652 -3.335 1.00 10.33 H new ATOM 0 HZ2 LYS A 21 -10.734 8.572 -4.123 1.00 10.33 H new ATOM 0 HZ3 LYS A 21 -11.712 8.028 -2.846 1.00 10.33 H new ATOM 316 N ALA A 22 -5.663 5.295 1.500 1.00 42.23 N ATOM 317 CA ALA A 22 -4.821 4.132 1.755 1.00 10.52 C ATOM 318 C ALA A 22 -5.204 3.453 3.065 1.00 2.42 C ATOM 319 O ALA A 22 -5.484 2.255 3.095 1.00 33.22 O ATOM 320 CB ALA A 22 -3.354 4.539 1.779 1.00 3.13 C ATOM 0 H ALA A 22 -5.153 6.174 1.413 1.00 42.23 H new ATOM 0 HA ALA A 22 -4.977 3.417 0.947 1.00 10.52 H new ATOM 0 HB1 ALA A 22 -2.736 3.662 1.970 1.00 3.13 H new ATOM 0 HB2 ALA A 22 -3.081 4.972 0.817 1.00 3.13 H new ATOM 0 HB3 ALA A 22 -3.193 5.275 2.567 1.00 3.13 H new ATOM 326 N PHE A 23 -5.216 4.227 4.145 1.00 73.12 N ATOM 327 CA PHE A 23 -5.565 3.699 5.459 1.00 31.50 C ATOM 328 C PHE A 23 -7.063 3.428 5.557 1.00 3.32 C ATOM 329 O PHE A 23 -7.534 2.812 6.514 1.00 34.44 O ATOM 330 CB PHE A 23 -5.139 4.677 6.555 1.00 24.42 C ATOM 331 CG PHE A 23 -3.994 4.180 7.391 1.00 11.25 C ATOM 332 CD1 PHE A 23 -4.084 2.971 8.062 1.00 32.34 C ATOM 333 CD2 PHE A 23 -2.830 4.922 7.507 1.00 43.13 C ATOM 334 CE1 PHE A 23 -3.031 2.511 8.833 1.00 41.23 C ATOM 335 CE2 PHE A 23 -1.775 4.467 8.276 1.00 53.15 C ATOM 336 CZ PHE A 23 -1.876 3.260 8.940 1.00 41.21 C ATOM 0 H PHE A 23 -4.988 5.221 4.136 1.00 73.12 H new ATOM 0 HA PHE A 23 -5.034 2.757 5.596 1.00 31.50 H new ATOM 0 HB2 PHE A 23 -4.858 5.625 6.096 1.00 24.42 H new ATOM 0 HB3 PHE A 23 -5.992 4.877 7.204 1.00 24.42 H new ATOM 0 HD1 PHE A 23 -4.985 2.382 7.982 1.00 32.34 H new ATOM 0 HD2 PHE A 23 -2.746 5.867 6.991 1.00 43.13 H new ATOM 0 HE1 PHE A 23 -3.113 1.567 9.351 1.00 41.23 H new ATOM 0 HE2 PHE A 23 -0.873 5.055 8.357 1.00 53.15 H new ATOM 0 HZ PHE A 23 -1.053 2.903 9.542 1.00 41.21 H new ATOM 346 N LEU A 24 -7.809 3.896 4.562 1.00 24.20 N ATOM 347 CA LEU A 24 -9.256 3.706 4.534 1.00 25.23 C ATOM 348 C LEU A 24 -9.611 2.301 4.056 1.00 3.42 C ATOM 349 O LEU A 24 -10.330 1.567 4.732 1.00 73.12 O ATOM 350 CB LEU A 24 -9.909 4.749 3.627 1.00 60.35 C ATOM 351 CG LEU A 24 -11.164 4.295 2.879 1.00 53.12 C ATOM 352 CD1 LEU A 24 -12.331 4.139 3.843 1.00 62.32 C ATOM 353 CD2 LEU A 24 -11.511 5.281 1.773 1.00 0.54 C ATOM 0 H LEU A 24 -7.436 4.410 3.764 1.00 24.20 H new ATOM 0 HA LEU A 24 -9.635 3.830 5.548 1.00 25.23 H new ATOM 0 HB2 LEU A 24 -10.165 5.619 4.232 1.00 60.35 H new ATOM 0 HB3 LEU A 24 -9.172 5.077 2.894 1.00 60.35 H new ATOM 0 HG LEU A 24 -10.963 3.325 2.423 1.00 53.12 H new ATOM 0 HD11 LEU A 24 -13.216 3.816 3.294 1.00 62.32 H new ATOM 0 HD12 LEU A 24 -12.081 3.395 4.599 1.00 62.32 H new ATOM 0 HD13 LEU A 24 -12.533 5.095 4.327 1.00 62.32 H new ATOM 0 HD21 LEU A 24 -12.406 4.942 1.251 1.00 0.54 H new ATOM 0 HD22 LEU A 24 -11.694 6.264 2.206 1.00 0.54 H new ATOM 0 HD23 LEU A 24 -10.682 5.343 1.068 1.00 0.54 H new ATOM 365 N PHE A 25 -9.100 1.935 2.884 1.00 13.41 N ATOM 366 CA PHE A 25 -9.364 0.620 2.314 1.00 74.41 C ATOM 367 C PHE A 25 -8.715 -0.476 3.154 1.00 33.43 C ATOM 368 O PHE A 25 -9.157 -1.626 3.145 1.00 65.50 O ATOM 369 CB PHE A 25 -8.844 0.549 0.877 1.00 53.30 C ATOM 370 CG PHE A 25 -9.667 1.345 -0.097 1.00 63.24 C ATOM 371 CD1 PHE A 25 -10.938 0.925 -0.454 1.00 51.45 C ATOM 372 CD2 PHE A 25 -9.169 2.510 -0.655 1.00 45.11 C ATOM 373 CE1 PHE A 25 -11.699 1.654 -1.349 1.00 2.20 C ATOM 374 CE2 PHE A 25 -9.924 3.243 -1.551 1.00 74.10 C ATOM 375 CZ PHE A 25 -11.190 2.815 -1.898 1.00 1.11 C ATOM 0 H PHE A 25 -8.501 2.531 2.312 1.00 13.41 H new ATOM 0 HA PHE A 25 -10.443 0.463 2.311 1.00 74.41 H new ATOM 0 HB2 PHE A 25 -7.816 0.910 0.853 1.00 53.30 H new ATOM 0 HB3 PHE A 25 -8.823 -0.493 0.557 1.00 53.30 H new ATOM 0 HD1 PHE A 25 -11.339 0.017 -0.028 1.00 51.45 H new ATOM 0 HD2 PHE A 25 -8.179 2.850 -0.387 1.00 45.11 H new ATOM 0 HE1 PHE A 25 -12.689 1.317 -1.618 1.00 2.20 H new ATOM 0 HE2 PHE A 25 -9.524 4.150 -1.979 1.00 74.10 H new ATOM 0 HZ PHE A 25 -11.781 3.387 -2.598 1.00 1.11 H new ATOM 385 N VAL A 26 -7.663 -0.113 3.883 1.00 63.04 N ATOM 386 CA VAL A 26 -6.953 -1.064 4.729 1.00 1.01 C ATOM 387 C VAL A 26 -7.839 -1.552 5.869 1.00 35.10 C ATOM 388 O VAL A 26 -7.950 -2.753 6.111 1.00 31.13 O ATOM 389 CB VAL A 26 -5.673 -0.443 5.318 1.00 32.32 C ATOM 390 CG1 VAL A 26 -5.168 -1.271 6.490 1.00 44.04 C ATOM 391 CG2 VAL A 26 -4.602 -0.312 4.246 1.00 32.32 C ATOM 0 H VAL A 26 -7.284 0.834 3.904 1.00 63.04 H new ATOM 0 HA VAL A 26 -6.680 -1.909 4.097 1.00 1.01 H new ATOM 0 HB VAL A 26 -5.910 0.555 5.685 1.00 32.32 H new ATOM 0 HG11 VAL A 26 -4.263 -0.817 6.893 1.00 44.04 H new ATOM 0 HG12 VAL A 26 -5.933 -1.307 7.266 1.00 44.04 H new ATOM 0 HG13 VAL A 26 -4.946 -2.283 6.152 1.00 44.04 H new ATOM 0 HG21 VAL A 26 -3.705 0.129 4.680 1.00 32.32 H new ATOM 0 HG22 VAL A 26 -4.365 -1.298 3.846 1.00 32.32 H new ATOM 0 HG23 VAL A 26 -4.968 0.327 3.442 1.00 32.32 H new ATOM 401 N ASN A 27 -8.469 -0.613 6.567 1.00 51.33 N ATOM 402 CA ASN A 27 -9.346 -0.949 7.682 1.00 12.55 C ATOM 403 C ASN A 27 -10.481 -1.863 7.227 1.00 31.14 C ATOM 404 O ASN A 27 -11.052 -2.604 8.026 1.00 75.55 O ATOM 405 CB ASN A 27 -9.923 0.325 8.306 1.00 43.42 C ATOM 406 CG ASN A 27 -10.189 0.173 9.790 1.00 72.24 C ATOM 407 OD1 ASN A 27 -9.625 0.897 10.611 1.00 21.35 O ATOM 408 ND2 ASN A 27 -11.052 -0.773 10.143 1.00 4.13 N ATOM 0 H ASN A 27 -8.388 0.386 6.380 1.00 51.33 H new ATOM 0 HA ASN A 27 -8.755 -1.478 8.429 1.00 12.55 H new ATOM 0 HB2 ASN A 27 -9.229 1.150 8.147 1.00 43.42 H new ATOM 0 HB3 ASN A 27 -10.851 0.587 7.798 1.00 43.42 H new ATOM 0 HD21 ASN A 27 -11.270 -0.922 11.128 1.00 4.13 H new ATOM 0 HD22 ASN A 27 -11.496 -1.350 9.429 1.00 4.13 H new ATOM 415 N LYS A 28 -10.800 -1.804 5.939 1.00 3.10 N ATOM 416 CA LYS A 28 -11.863 -2.627 5.375 1.00 4.12 C ATOM 417 C LYS A 28 -11.340 -4.009 5.000 1.00 73.43 C ATOM 418 O LYS A 28 -11.919 -5.027 5.379 1.00 33.23 O ATOM 419 CB LYS A 28 -12.464 -1.946 4.144 1.00 51.34 C ATOM 420 CG LYS A 28 -13.061 -0.580 4.433 1.00 10.24 C ATOM 421 CD LYS A 28 -13.219 0.241 3.163 1.00 71.21 C ATOM 422 CE LYS A 28 -14.432 1.154 3.238 1.00 63.14 C ATOM 423 NZ LYS A 28 -15.425 0.844 2.172 1.00 73.24 N ATOM 0 H LYS A 28 -10.337 -1.194 5.265 1.00 3.10 H new ATOM 0 HA LYS A 28 -12.638 -2.745 6.132 1.00 4.12 H new ATOM 0 HB2 LYS A 28 -11.690 -1.841 3.384 1.00 51.34 H new ATOM 0 HB3 LYS A 28 -13.237 -2.590 3.725 1.00 51.34 H new ATOM 0 HG2 LYS A 28 -14.033 -0.701 4.912 1.00 10.24 H new ATOM 0 HG3 LYS A 28 -12.423 -0.045 5.136 1.00 10.24 H new ATOM 0 HD2 LYS A 28 -12.322 0.838 3.001 1.00 71.21 H new ATOM 0 HD3 LYS A 28 -13.317 -0.426 2.307 1.00 71.21 H new ATOM 0 HE2 LYS A 28 -14.904 1.052 4.215 1.00 63.14 H new ATOM 0 HE3 LYS A 28 -14.112 2.192 3.146 1.00 63.14 H new ATOM 0 HZ1 LYS A 28 -16.237 1.488 2.257 1.00 73.24 H new ATOM 0 HZ2 LYS A 28 -14.982 0.966 1.239 1.00 73.24 H new ATOM 0 HZ3 LYS A 28 -15.750 -0.139 2.275 1.00 73.24 H new ATOM 437 N GLY A 29 -10.238 -4.039 4.255 1.00 55.24 N ATOM 438 CA GLY A 29 -9.656 -5.304 3.844 1.00 21.15 C ATOM 439 C GLY A 29 -9.571 -6.301 4.982 1.00 74.23 C ATOM 440 O GLY A 29 -9.710 -7.506 4.773 1.00 73.33 O ATOM 0 H GLY A 29 -9.739 -3.211 3.929 1.00 55.24 H new ATOM 0 HA2 GLY A 29 -10.252 -5.729 3.037 1.00 21.15 H new ATOM 0 HA3 GLY A 29 -8.657 -5.128 3.444 1.00 21.15 H new ATOM 444 N LEU A 30 -9.341 -5.799 6.191 1.00 61.44 N ATOM 445 CA LEU A 30 -9.237 -6.655 7.368 1.00 65.43 C ATOM 446 C LEU A 30 -10.604 -7.204 7.765 1.00 23.21 C ATOM 447 O LEU A 30 -10.745 -8.390 8.057 1.00 61.33 O ATOM 448 CB LEU A 30 -8.626 -5.878 8.536 1.00 51.55 C ATOM 449 CG LEU A 30 -7.107 -5.714 8.512 1.00 62.41 C ATOM 450 CD1 LEU A 30 -6.677 -4.583 9.432 1.00 14.24 C ATOM 451 CD2 LEU A 30 -6.424 -7.016 8.909 1.00 11.53 C ATOM 0 H LEU A 30 -9.223 -4.804 6.382 1.00 61.44 H new ATOM 0 HA LEU A 30 -8.588 -7.495 7.120 1.00 65.43 H new ATOM 0 HB2 LEU A 30 -9.078 -4.886 8.562 1.00 51.55 H new ATOM 0 HB3 LEU A 30 -8.903 -6.379 9.464 1.00 51.55 H new ATOM 0 HG LEU A 30 -6.804 -5.462 7.496 1.00 62.41 H new ATOM 0 HD11 LEU A 30 -5.592 -4.482 9.401 1.00 14.24 H new ATOM 0 HD12 LEU A 30 -7.138 -3.651 9.103 1.00 14.24 H new ATOM 0 HD13 LEU A 30 -6.992 -4.804 10.452 1.00 14.24 H new ATOM 0 HD21 LEU A 30 -5.343 -6.881 8.887 1.00 11.53 H new ATOM 0 HD22 LEU A 30 -6.734 -7.297 9.916 1.00 11.53 H new ATOM 0 HD23 LEU A 30 -6.706 -7.803 8.209 1.00 11.53 H new ATOM 463 N ASN A 31 -11.606 -6.332 7.771 1.00 33.13 N ATOM 464 CA ASN A 31 -12.962 -6.730 8.131 1.00 71.33 C ATOM 465 C ASN A 31 -13.405 -7.946 7.324 1.00 23.22 C ATOM 466 O ASN A 31 -13.711 -9.000 7.883 1.00 24.21 O ATOM 467 CB ASN A 31 -13.933 -5.570 7.902 1.00 14.04 C ATOM 468 CG ASN A 31 -15.140 -5.637 8.819 1.00 30.44 C ATOM 469 OD1 ASN A 31 -15.078 -5.217 9.975 1.00 51.41 O ATOM 470 ND2 ASN A 31 -16.245 -6.166 8.305 1.00 35.54 N ATOM 0 H ASN A 31 -11.505 -5.346 7.531 1.00 33.13 H new ATOM 0 HA ASN A 31 -12.967 -6.997 9.188 1.00 71.33 H new ATOM 0 HB2 ASN A 31 -13.411 -4.626 8.061 1.00 14.04 H new ATOM 0 HB3 ASN A 31 -14.267 -5.579 6.865 1.00 14.04 H new ATOM 0 HD21 ASN A 31 -17.089 -6.237 8.874 1.00 35.54 H new ATOM 0 HD22 ASN A 31 -16.250 -6.501 7.342 1.00 35.54 H new ATOM 477 N THR A 32 -13.438 -7.792 6.004 1.00 62.34 N ATOM 478 CA THR A 32 -13.842 -8.877 5.118 1.00 70.21 C ATOM 479 C THR A 32 -13.260 -10.209 5.577 1.00 0.54 C ATOM 480 O THR A 32 -13.996 -11.130 5.929 1.00 60.22 O ATOM 481 CB THR A 32 -13.403 -8.611 3.666 1.00 4.41 C ATOM 482 OG1 THR A 32 -12.323 -7.670 3.644 1.00 15.13 O ATOM 483 CG2 THR A 32 -14.563 -8.077 2.839 1.00 42.24 C ATOM 0 H THR A 32 -13.190 -6.926 5.525 1.00 62.34 H new ATOM 0 HA THR A 32 -14.930 -8.927 5.157 1.00 70.21 H new ATOM 0 HB THR A 32 -13.071 -9.554 3.232 1.00 4.41 H new ATOM 0 HG1 THR A 32 -11.552 -8.046 4.117 1.00 15.13 H new ATOM 0 HG21 THR A 32 -14.229 -7.897 1.817 1.00 42.24 H new ATOM 0 HG22 THR A 32 -15.372 -8.808 2.833 1.00 42.24 H new ATOM 0 HG23 THR A 32 -14.921 -7.144 3.274 1.00 42.24 H new ATOM 491 N ASP A 33 -11.935 -10.303 5.572 1.00 11.42 N ATOM 492 CA ASP A 33 -11.253 -11.522 5.990 1.00 63.11 C ATOM 493 C ASP A 33 -11.944 -12.143 7.200 1.00 64.41 C ATOM 494 O ASP A 33 -12.043 -13.365 7.310 1.00 42.23 O ATOM 495 CB ASP A 33 -9.789 -11.226 6.319 1.00 25.40 C ATOM 496 CG ASP A 33 -9.138 -12.339 7.117 1.00 0.54 C ATOM 497 OD1 ASP A 33 -9.641 -13.480 7.064 1.00 64.02 O ATOM 498 OD2 ASP A 33 -8.126 -12.068 7.796 1.00 54.43 O ATOM 0 H ASP A 33 -11.312 -9.549 5.283 1.00 11.42 H new ATOM 0 HA ASP A 33 -11.295 -12.233 5.165 1.00 63.11 H new ATOM 0 HB2 ASP A 33 -9.235 -11.075 5.393 1.00 25.40 H new ATOM 0 HB3 ASP A 33 -9.727 -10.295 6.882 1.00 25.40 H new ATOM 504 N GLU A 34 -12.418 -11.293 8.105 1.00 33.33 N ATOM 505 CA GLU A 34 -13.098 -11.761 9.308 1.00 4.15 C ATOM 506 C GLU A 34 -14.505 -12.250 8.981 1.00 75.35 C ATOM 507 O GLU A 34 -14.960 -13.266 9.511 1.00 11.31 O ATOM 508 CB GLU A 34 -13.163 -10.642 10.350 1.00 64.43 C ATOM 509 CG GLU A 34 -14.562 -10.087 10.560 1.00 72.54 C ATOM 510 CD GLU A 34 -14.627 -9.084 11.696 1.00 31.02 C ATOM 511 OE1 GLU A 34 -15.747 -8.647 12.036 1.00 11.33 O ATOM 512 OE2 GLU A 34 -13.560 -8.736 12.243 1.00 51.02 O ATOM 0 H GLU A 34 -12.344 -10.279 8.029 1.00 33.33 H new ATOM 0 HA GLU A 34 -12.528 -12.596 9.717 1.00 4.15 H new ATOM 0 HB2 GLU A 34 -12.784 -11.019 11.300 1.00 64.43 H new ATOM 0 HB3 GLU A 34 -12.502 -9.832 10.042 1.00 64.43 H new ATOM 0 HG2 GLU A 34 -14.902 -9.611 9.640 1.00 72.54 H new ATOM 0 HG3 GLU A 34 -15.248 -10.909 10.766 1.00 72.54 H new ATOM 520 N LEU A 35 -15.192 -11.522 8.108 1.00 2.01 N ATOM 521 CA LEU A 35 -16.548 -11.880 7.711 1.00 11.50 C ATOM 522 C LEU A 35 -16.559 -13.194 6.936 1.00 73.40 C ATOM 523 O LEU A 35 -17.536 -13.942 6.976 1.00 42.14 O ATOM 524 CB LEU A 35 -17.162 -10.768 6.859 1.00 12.32 C ATOM 525 CG LEU A 35 -17.924 -9.683 7.621 1.00 51.21 C ATOM 526 CD1 LEU A 35 -17.049 -9.081 8.711 1.00 4.11 C ATOM 527 CD2 LEU A 35 -18.409 -8.602 6.666 1.00 4.23 C ATOM 0 H LEU A 35 -14.831 -10.679 7.661 1.00 2.01 H new ATOM 0 HA LEU A 35 -17.143 -12.007 8.615 1.00 11.50 H new ATOM 0 HB2 LEU A 35 -16.364 -10.292 6.289 1.00 12.32 H new ATOM 0 HB3 LEU A 35 -17.841 -11.223 6.138 1.00 12.32 H new ATOM 0 HG LEU A 35 -18.794 -10.140 8.093 1.00 51.21 H new ATOM 0 HD11 LEU A 35 -17.608 -8.311 9.242 1.00 4.11 H new ATOM 0 HD12 LEU A 35 -16.751 -9.862 9.411 1.00 4.11 H new ATOM 0 HD13 LEU A 35 -16.160 -8.639 8.261 1.00 4.11 H new ATOM 0 HD21 LEU A 35 -18.949 -7.838 7.225 1.00 4.23 H new ATOM 0 HD22 LEU A 35 -17.554 -8.148 6.165 1.00 4.23 H new ATOM 0 HD23 LEU A 35 -19.072 -9.044 5.922 1.00 4.23 H new ATOM 539 N GLY A 36 -15.465 -13.470 6.232 1.00 11.22 N ATOM 540 CA GLY A 36 -15.369 -14.695 5.459 1.00 13.24 C ATOM 541 C GLY A 36 -15.424 -14.444 3.966 1.00 55.31 C ATOM 542 O GLY A 36 -16.072 -15.188 3.230 1.00 2.14 O ATOM 0 H GLY A 36 -14.644 -12.867 6.183 1.00 11.22 H new ATOM 0 HA2 GLY A 36 -14.437 -15.204 5.705 1.00 13.24 H new ATOM 0 HA3 GLY A 36 -16.182 -15.364 5.742 1.00 13.24 H new ATOM 546 N GLN A 37 -14.745 -13.393 3.518 1.00 45.01 N ATOM 547 CA GLN A 37 -14.722 -13.045 2.102 1.00 72.35 C ATOM 548 C GLN A 37 -13.289 -12.925 1.596 1.00 43.14 C ATOM 549 O GLN A 37 -12.756 -11.823 1.465 1.00 63.15 O ATOM 550 CB GLN A 37 -15.472 -11.735 1.866 1.00 2.55 C ATOM 551 CG GLN A 37 -16.685 -11.554 2.766 1.00 24.51 C ATOM 552 CD GLN A 37 -17.762 -10.700 2.128 1.00 34.34 C ATOM 553 OE1 GLN A 37 -17.476 -9.824 1.312 1.00 33.45 O ATOM 554 NE2 GLN A 37 -19.013 -10.953 2.498 1.00 21.32 N ATOM 0 H GLN A 37 -14.204 -12.768 4.115 1.00 45.01 H new ATOM 0 HA GLN A 37 -15.217 -13.842 1.548 1.00 72.35 H new ATOM 0 HB2 GLN A 37 -14.787 -10.901 2.022 1.00 2.55 H new ATOM 0 HB3 GLN A 37 -15.793 -11.693 0.825 1.00 2.55 H new ATOM 0 HG2 GLN A 37 -17.100 -12.532 3.011 1.00 24.51 H new ATOM 0 HG3 GLN A 37 -16.372 -11.096 3.704 1.00 24.51 H new ATOM 0 HE21 GLN A 37 -19.205 -11.689 3.178 1.00 21.32 H new ATOM 0 HE22 GLN A 37 -19.781 -10.411 2.102 1.00 21.32 H new ATOM 563 N LYS A 38 -12.669 -14.065 1.311 1.00 3.40 N ATOM 564 CA LYS A 38 -11.299 -14.089 0.816 1.00 31.24 C ATOM 565 C LYS A 38 -11.185 -13.345 -0.511 1.00 63.42 C ATOM 566 O LYS A 38 -10.121 -12.837 -0.858 1.00 24.14 O ATOM 567 CB LYS A 38 -10.820 -15.533 0.646 1.00 12.03 C ATOM 568 CG LYS A 38 -10.585 -16.254 1.962 1.00 23.45 C ATOM 569 CD LYS A 38 -11.821 -16.222 2.844 1.00 21.34 C ATOM 570 CE LYS A 38 -11.663 -17.124 4.058 1.00 74.43 C ATOM 571 NZ LYS A 38 -12.073 -18.526 3.767 1.00 22.41 N ATOM 0 H LYS A 38 -13.095 -14.986 1.415 1.00 3.40 H new ATOM 0 HA LYS A 38 -10.667 -13.587 1.549 1.00 31.24 H new ATOM 0 HB2 LYS A 38 -11.558 -16.086 0.065 1.00 12.03 H new ATOM 0 HB3 LYS A 38 -9.895 -15.535 0.070 1.00 12.03 H new ATOM 0 HG2 LYS A 38 -10.304 -17.289 1.766 1.00 23.45 H new ATOM 0 HG3 LYS A 38 -9.750 -15.791 2.488 1.00 23.45 H new ATOM 0 HD2 LYS A 38 -12.009 -15.199 3.171 1.00 21.34 H new ATOM 0 HD3 LYS A 38 -12.690 -16.537 2.266 1.00 21.34 H new ATOM 0 HE2 LYS A 38 -10.624 -17.111 4.387 1.00 74.43 H new ATOM 0 HE3 LYS A 38 -12.263 -16.734 4.880 1.00 74.43 H new ATOM 0 HZ1 LYS A 38 -11.902 -19.119 4.604 1.00 22.41 H new ATOM 0 HZ2 LYS A 38 -13.085 -18.549 3.527 1.00 22.41 H new ATOM 0 HZ3 LYS A 38 -11.519 -18.891 2.966 1.00 22.41 H new ATOM 585 N GLU A 39 -12.290 -13.286 -1.247 1.00 1.32 N ATOM 586 CA GLU A 39 -12.314 -12.604 -2.535 1.00 41.22 C ATOM 587 C GLU A 39 -12.410 -11.092 -2.348 1.00 40.11 C ATOM 588 O GLU A 39 -11.584 -10.339 -2.864 1.00 15.41 O ATOM 589 CB GLU A 39 -13.490 -13.100 -3.379 1.00 11.43 C ATOM 590 CG GLU A 39 -13.873 -14.543 -3.100 1.00 55.34 C ATOM 591 CD GLU A 39 -12.677 -15.476 -3.106 1.00 34.14 C ATOM 592 OE1 GLU A 39 -11.921 -15.464 -4.100 1.00 63.44 O ATOM 593 OE2 GLU A 39 -12.496 -16.217 -2.116 1.00 45.24 O ATOM 0 H GLU A 39 -13.180 -13.702 -0.973 1.00 1.32 H new ATOM 0 HA GLU A 39 -11.383 -12.831 -3.054 1.00 41.22 H new ATOM 0 HB2 GLU A 39 -14.354 -12.461 -3.194 1.00 11.43 H new ATOM 0 HB3 GLU A 39 -13.238 -12.997 -4.434 1.00 11.43 H new ATOM 0 HG2 GLU A 39 -14.370 -14.602 -2.132 1.00 55.34 H new ATOM 0 HG3 GLU A 39 -14.592 -14.875 -3.849 1.00 55.34 H new ATOM 601 N GLU A 40 -13.424 -10.657 -1.608 1.00 12.13 N ATOM 602 CA GLU A 40 -13.630 -9.234 -1.355 1.00 70.51 C ATOM 603 C GLU A 40 -12.384 -8.607 -0.735 1.00 41.45 C ATOM 604 O GLU A 40 -11.945 -7.536 -1.151 1.00 13.44 O ATOM 605 CB GLU A 40 -14.831 -9.026 -0.430 1.00 42.34 C ATOM 606 CG GLU A 40 -16.152 -8.900 -1.171 1.00 14.23 C ATOM 607 CD GLU A 40 -16.889 -10.221 -1.281 1.00 31.32 C ATOM 608 OE1 GLU A 40 -16.224 -11.251 -1.525 1.00 13.31 O ATOM 609 OE2 GLU A 40 -18.127 -10.227 -1.125 1.00 41.34 O ATOM 0 H GLU A 40 -14.116 -11.268 -1.173 1.00 12.13 H new ATOM 0 HA GLU A 40 -13.827 -8.746 -2.310 1.00 70.51 H new ATOM 0 HB2 GLU A 40 -14.892 -9.862 0.266 1.00 42.34 H new ATOM 0 HB3 GLU A 40 -14.670 -8.127 0.165 1.00 42.34 H new ATOM 0 HG2 GLU A 40 -16.785 -8.177 -0.657 1.00 14.23 H new ATOM 0 HG3 GLU A 40 -15.967 -8.507 -2.171 1.00 14.23 H new ATOM 617 N ALA A 41 -11.820 -9.283 0.260 1.00 51.21 N ATOM 618 CA ALA A 41 -10.625 -8.794 0.936 1.00 61.35 C ATOM 619 C ALA A 41 -9.499 -8.537 -0.059 1.00 4.40 C ATOM 620 O ALA A 41 -9.069 -7.398 -0.247 1.00 34.12 O ATOM 621 CB ALA A 41 -10.176 -9.786 1.999 1.00 44.41 C ATOM 0 H ALA A 41 -12.172 -10.172 0.616 1.00 51.21 H new ATOM 0 HA ALA A 41 -10.872 -7.848 1.419 1.00 61.35 H new ATOM 0 HB1 ALA A 41 -9.283 -9.408 2.496 1.00 44.41 H new ATOM 0 HB2 ALA A 41 -10.971 -9.917 2.733 1.00 44.41 H new ATOM 0 HB3 ALA A 41 -9.952 -10.745 1.531 1.00 44.41 H new ATOM 627 N LYS A 42 -9.023 -9.601 -0.696 1.00 70.31 N ATOM 628 CA LYS A 42 -7.946 -9.491 -1.675 1.00 34.13 C ATOM 629 C LYS A 42 -8.103 -8.230 -2.516 1.00 41.45 C ATOM 630 O LYS A 42 -7.119 -7.576 -2.861 1.00 20.51 O ATOM 631 CB LYS A 42 -7.925 -10.723 -2.580 1.00 50.24 C ATOM 632 CG LYS A 42 -6.770 -11.668 -2.296 1.00 73.23 C ATOM 633 CD LYS A 42 -7.203 -13.122 -2.392 1.00 12.02 C ATOM 634 CE LYS A 42 -7.955 -13.395 -3.685 1.00 40.32 C ATOM 635 NZ LYS A 42 -7.368 -14.537 -4.439 1.00 4.12 N ATOM 0 H LYS A 42 -9.366 -10.551 -0.552 1.00 70.31 H new ATOM 0 HA LYS A 42 -7.001 -9.430 -1.135 1.00 34.13 H new ATOM 0 HB2 LYS A 42 -8.864 -11.265 -2.463 1.00 50.24 H new ATOM 0 HB3 LYS A 42 -7.871 -10.399 -3.619 1.00 50.24 H new ATOM 0 HG2 LYS A 42 -5.963 -11.480 -3.004 1.00 73.23 H new ATOM 0 HG3 LYS A 42 -6.373 -11.470 -1.300 1.00 73.23 H new ATOM 0 HD2 LYS A 42 -6.327 -13.768 -2.336 1.00 12.02 H new ATOM 0 HD3 LYS A 42 -7.837 -13.371 -1.541 1.00 12.02 H new ATOM 0 HE2 LYS A 42 -9.000 -13.608 -3.459 1.00 40.32 H new ATOM 0 HE3 LYS A 42 -7.940 -12.502 -4.309 1.00 40.32 H new ATOM 0 HZ1 LYS A 42 -6.820 -14.175 -5.245 1.00 4.12 H new ATOM 0 HZ2 LYS A 42 -6.743 -15.082 -3.812 1.00 4.12 H new ATOM 0 HZ3 LYS A 42 -8.131 -15.152 -4.787 1.00 4.12 H new ATOM 649 N ASN A 43 -9.346 -7.892 -2.842 1.00 42.10 N ATOM 650 CA ASN A 43 -9.631 -6.708 -3.644 1.00 15.31 C ATOM 651 C ASN A 43 -9.379 -5.435 -2.842 1.00 53.31 C ATOM 652 O ASN A 43 -8.650 -4.544 -3.283 1.00 70.43 O ATOM 653 CB ASN A 43 -11.080 -6.735 -4.135 1.00 42.24 C ATOM 654 CG ASN A 43 -11.565 -5.370 -4.583 1.00 35.32 C ATOM 655 OD1 ASN A 43 -10.793 -4.564 -5.102 1.00 31.00 O ATOM 656 ND2 ASN A 43 -12.850 -5.103 -4.381 1.00 34.01 N ATOM 0 H ASN A 43 -10.172 -8.421 -2.563 1.00 42.10 H new ATOM 0 HA ASN A 43 -8.962 -6.714 -4.505 1.00 15.31 H new ATOM 0 HB2 ASN A 43 -11.167 -7.438 -4.963 1.00 42.24 H new ATOM 0 HB3 ASN A 43 -11.724 -7.102 -3.336 1.00 42.24 H new ATOM 0 HD21 ASN A 43 -13.233 -4.200 -4.660 1.00 34.01 H new ATOM 0 HD22 ASN A 43 -13.454 -5.801 -3.947 1.00 34.01 H new ATOM 663 N TYR A 44 -9.985 -5.355 -1.663 1.00 15.41 N ATOM 664 CA TYR A 44 -9.828 -4.191 -0.800 1.00 21.43 C ATOM 665 C TYR A 44 -8.355 -3.825 -0.641 1.00 54.32 C ATOM 666 O TYR A 44 -7.985 -2.651 -0.697 1.00 64.54 O ATOM 667 CB TYR A 44 -10.449 -4.459 0.572 1.00 33.22 C ATOM 668 CG TYR A 44 -11.908 -4.075 0.660 1.00 14.41 C ATOM 669 CD1 TYR A 44 -12.314 -2.758 0.481 1.00 41.31 C ATOM 670 CD2 TYR A 44 -12.883 -5.030 0.925 1.00 15.42 C ATOM 671 CE1 TYR A 44 -13.646 -2.404 0.561 1.00 15.55 C ATOM 672 CE2 TYR A 44 -14.218 -4.684 1.007 1.00 33.30 C ATOM 673 CZ TYR A 44 -14.596 -3.370 0.825 1.00 23.43 C ATOM 674 OH TYR A 44 -15.923 -3.021 0.906 1.00 42.31 O ATOM 0 H TYR A 44 -10.590 -6.083 -1.283 1.00 15.41 H new ATOM 0 HA TYR A 44 -10.344 -3.352 -1.267 1.00 21.43 H new ATOM 0 HB2 TYR A 44 -10.346 -5.518 0.808 1.00 33.22 H new ATOM 0 HB3 TYR A 44 -9.890 -3.908 1.329 1.00 33.22 H new ATOM 0 HD1 TYR A 44 -11.575 -1.998 0.276 1.00 41.31 H new ATOM 0 HD2 TYR A 44 -12.592 -6.060 1.069 1.00 15.42 H new ATOM 0 HE1 TYR A 44 -13.943 -1.376 0.418 1.00 15.55 H new ATOM 0 HE2 TYR A 44 -14.962 -5.439 1.213 1.00 33.30 H new ATOM 0 HH TYR A 44 -16.460 -3.818 1.097 1.00 42.31 H new ATOM 684 N TYR A 45 -7.519 -4.838 -0.442 1.00 65.34 N ATOM 685 CA TYR A 45 -6.086 -4.625 -0.274 1.00 54.33 C ATOM 686 C TYR A 45 -5.450 -4.143 -1.574 1.00 54.42 C ATOM 687 O TYR A 45 -4.715 -3.156 -1.591 1.00 1.14 O ATOM 688 CB TYR A 45 -5.409 -5.915 0.191 1.00 63.43 C ATOM 689 CG TYR A 45 -5.677 -6.252 1.640 1.00 60.04 C ATOM 690 CD1 TYR A 45 -5.581 -5.281 2.630 1.00 45.31 C ATOM 691 CD2 TYR A 45 -6.027 -7.542 2.021 1.00 3.12 C ATOM 692 CE1 TYR A 45 -5.825 -5.584 3.955 1.00 24.32 C ATOM 693 CE2 TYR A 45 -6.273 -7.855 3.344 1.00 44.15 C ATOM 694 CZ TYR A 45 -6.171 -6.872 4.307 1.00 34.41 C ATOM 695 OH TYR A 45 -6.415 -7.179 5.626 1.00 1.31 O ATOM 0 H TYR A 45 -7.809 -5.815 -0.393 1.00 65.34 H new ATOM 0 HA TYR A 45 -5.945 -3.855 0.484 1.00 54.33 H new ATOM 0 HB2 TYR A 45 -5.750 -6.740 -0.434 1.00 63.43 H new ATOM 0 HB3 TYR A 45 -4.333 -5.825 0.041 1.00 63.43 H new ATOM 0 HD1 TYR A 45 -5.311 -4.271 2.358 1.00 45.31 H new ATOM 0 HD2 TYR A 45 -6.108 -8.313 1.270 1.00 3.12 H new ATOM 0 HE1 TYR A 45 -5.745 -4.817 4.711 1.00 24.32 H new ATOM 0 HE2 TYR A 45 -6.543 -8.863 3.623 1.00 44.15 H new ATOM 0 HH TYR A 45 -6.647 -8.128 5.703 1.00 1.31 H new ATOM 705 N LYS A 46 -5.739 -4.848 -2.663 1.00 13.54 N ATOM 706 CA LYS A 46 -5.200 -4.492 -3.970 1.00 70.53 C ATOM 707 C LYS A 46 -5.399 -3.008 -4.256 1.00 43.52 C ATOM 708 O LYS A 46 -4.711 -2.431 -5.098 1.00 33.21 O ATOM 709 CB LYS A 46 -5.866 -5.328 -5.065 1.00 54.44 C ATOM 710 CG LYS A 46 -5.101 -6.592 -5.415 1.00 74.11 C ATOM 711 CD LYS A 46 -5.981 -7.593 -6.146 1.00 5.53 C ATOM 712 CE LYS A 46 -5.204 -8.339 -7.219 1.00 45.23 C ATOM 713 NZ LYS A 46 -5.855 -9.629 -7.579 1.00 22.04 N ATOM 0 H LYS A 46 -6.344 -5.669 -2.666 1.00 13.54 H new ATOM 0 HA LYS A 46 -4.130 -4.701 -3.962 1.00 70.53 H new ATOM 0 HB2 LYS A 46 -6.871 -5.599 -4.742 1.00 54.44 H new ATOM 0 HB3 LYS A 46 -5.973 -4.718 -5.962 1.00 54.44 H new ATOM 0 HG2 LYS A 46 -4.243 -6.338 -6.037 1.00 74.11 H new ATOM 0 HG3 LYS A 46 -4.711 -7.046 -4.504 1.00 74.11 H new ATOM 0 HD2 LYS A 46 -6.393 -8.306 -5.432 1.00 5.53 H new ATOM 0 HD3 LYS A 46 -6.824 -7.073 -6.601 1.00 5.53 H new ATOM 0 HE2 LYS A 46 -5.121 -7.714 -8.108 1.00 45.23 H new ATOM 0 HE3 LYS A 46 -4.190 -8.530 -6.867 1.00 45.23 H new ATOM 0 HZ1 LYS A 46 -5.295 -10.107 -8.313 1.00 22.04 H new ATOM 0 HZ2 LYS A 46 -5.912 -10.236 -6.737 1.00 22.04 H new ATOM 0 HZ3 LYS A 46 -6.813 -9.446 -7.939 1.00 22.04 H new ATOM 727 N GLN A 47 -6.345 -2.395 -3.551 1.00 25.23 N ATOM 728 CA GLN A 47 -6.633 -0.977 -3.730 1.00 54.45 C ATOM 729 C GLN A 47 -5.765 -0.124 -2.811 1.00 21.13 C ATOM 730 O GLN A 47 -5.211 0.890 -3.230 1.00 44.41 O ATOM 731 CB GLN A 47 -8.112 -0.699 -3.458 1.00 14.45 C ATOM 732 CG GLN A 47 -9.054 -1.427 -4.404 1.00 62.31 C ATOM 733 CD GLN A 47 -10.508 -1.076 -4.163 1.00 3.21 C ATOM 734 OE1 GLN A 47 -10.822 -0.166 -3.396 1.00 21.45 O ATOM 735 NE2 GLN A 47 -11.408 -1.798 -4.822 1.00 21.20 N ATOM 0 H GLN A 47 -6.925 -2.858 -2.851 1.00 25.23 H new ATOM 0 HA GLN A 47 -6.404 -0.712 -4.762 1.00 54.45 H new ATOM 0 HB2 GLN A 47 -8.345 -0.989 -2.433 1.00 14.45 H new ATOM 0 HB3 GLN A 47 -8.291 0.373 -3.535 1.00 14.45 H new ATOM 0 HG2 GLN A 47 -8.791 -1.182 -5.433 1.00 62.31 H new ATOM 0 HG3 GLN A 47 -8.920 -2.502 -4.288 1.00 62.31 H new ATOM 0 HE21 GLN A 47 -11.104 -2.544 -5.448 1.00 21.20 H new ATOM 0 HE22 GLN A 47 -12.403 -1.607 -4.702 1.00 21.20 H new ATOM 744 N GLY A 48 -5.652 -0.544 -1.554 1.00 70.30 N ATOM 745 CA GLY A 48 -4.850 0.194 -0.596 1.00 71.44 C ATOM 746 C GLY A 48 -3.371 0.156 -0.927 1.00 74.03 C ATOM 747 O GLY A 48 -2.663 1.148 -0.750 1.00 51.02 O ATOM 0 H GLY A 48 -6.101 -1.381 -1.183 1.00 70.30 H new ATOM 0 HA2 GLY A 48 -5.186 1.230 -0.567 1.00 71.44 H new ATOM 0 HA3 GLY A 48 -5.007 -0.220 0.400 1.00 71.44 H new ATOM 751 N ILE A 49 -2.902 -0.992 -1.405 1.00 5.51 N ATOM 752 CA ILE A 49 -1.497 -1.154 -1.761 1.00 53.32 C ATOM 753 C ILE A 49 -1.036 -0.043 -2.697 1.00 33.12 C ATOM 754 O ILE A 49 0.057 0.499 -2.543 1.00 34.44 O ATOM 755 CB ILE A 49 -1.240 -2.516 -2.431 1.00 54.10 C ATOM 756 CG1 ILE A 49 -1.109 -3.613 -1.373 1.00 70.23 C ATOM 757 CG2 ILE A 49 0.011 -2.453 -3.294 1.00 42.21 C ATOM 758 CD1 ILE A 49 -1.628 -4.958 -1.830 1.00 64.41 C ATOM 0 H ILE A 49 -3.474 -1.823 -1.555 1.00 5.51 H new ATOM 0 HA ILE A 49 -0.928 -1.102 -0.833 1.00 53.32 H new ATOM 0 HB ILE A 49 -2.089 -2.755 -3.072 1.00 54.10 H new ATOM 0 HG12 ILE A 49 -0.060 -3.713 -1.093 1.00 70.23 H new ATOM 0 HG13 ILE A 49 -1.650 -3.309 -0.477 1.00 70.23 H new ATOM 0 HG21 ILE A 49 0.180 -3.423 -3.761 1.00 42.21 H new ATOM 0 HG22 ILE A 49 -0.118 -1.695 -4.067 1.00 42.21 H new ATOM 0 HG23 ILE A 49 0.869 -2.195 -2.673 1.00 42.21 H new ATOM 0 HD11 ILE A 49 -1.503 -5.687 -1.030 1.00 64.41 H new ATOM 0 HD12 ILE A 49 -2.685 -4.873 -2.082 1.00 64.41 H new ATOM 0 HD13 ILE A 49 -1.070 -5.284 -2.708 1.00 64.41 H new ATOM 770 N GLY A 50 -1.878 0.293 -3.669 1.00 64.15 N ATOM 771 CA GLY A 50 -1.539 1.338 -4.617 1.00 71.03 C ATOM 772 C GLY A 50 -1.582 2.720 -3.995 1.00 20.22 C ATOM 773 O GLY A 50 -0.629 3.492 -4.114 1.00 43.42 O ATOM 0 H GLY A 50 -2.790 -0.140 -3.817 1.00 64.15 H new ATOM 0 HA2 GLY A 50 -0.542 1.153 -5.016 1.00 71.03 H new ATOM 0 HA3 GLY A 50 -2.231 1.300 -5.458 1.00 71.03 H new ATOM 777 N HIS A 51 -2.687 3.034 -3.328 1.00 54.35 N ATOM 778 CA HIS A 51 -2.850 4.333 -2.684 1.00 72.03 C ATOM 779 C HIS A 51 -1.678 4.629 -1.756 1.00 4.05 C ATOM 780 O HIS A 51 -1.350 5.790 -1.502 1.00 41.50 O ATOM 781 CB HIS A 51 -4.161 4.376 -1.899 1.00 64.15 C ATOM 782 CG HIS A 51 -5.374 4.515 -2.765 1.00 52.25 C ATOM 783 ND1 HIS A 51 -5.621 5.625 -3.545 1.00 72.22 N ATOM 784 CD2 HIS A 51 -6.413 3.672 -2.976 1.00 12.11 C ATOM 785 CE1 HIS A 51 -6.759 5.462 -4.195 1.00 74.32 C ATOM 786 NE2 HIS A 51 -7.260 4.285 -3.867 1.00 71.24 N ATOM 0 H HIS A 51 -3.484 2.407 -3.219 1.00 54.35 H new ATOM 0 HA HIS A 51 -2.876 5.096 -3.462 1.00 72.03 H new ATOM 0 HB2 HIS A 51 -4.250 3.465 -1.307 1.00 64.15 H new ATOM 0 HB3 HIS A 51 -4.128 5.210 -1.198 1.00 64.15 H new ATOM 0 HD2 HIS A 51 -6.550 2.699 -2.527 1.00 12.11 H new ATOM 0 HE1 HIS A 51 -7.204 6.170 -4.878 1.00 74.32 H new ATOM 0 HE2 HIS A 51 -8.134 3.894 -4.218 1.00 71.24 H new ATOM 795 N LEU A 52 -1.046 3.575 -1.251 1.00 54.43 N ATOM 796 CA LEU A 52 0.091 3.723 -0.350 1.00 33.40 C ATOM 797 C LEU A 52 1.292 4.313 -1.081 1.00 23.23 C ATOM 798 O LEU A 52 1.756 5.406 -0.753 1.00 32.53 O ATOM 799 CB LEU A 52 0.464 2.370 0.259 1.00 2.40 C ATOM 800 CG LEU A 52 -0.459 1.853 1.363 1.00 25.34 C ATOM 801 CD1 LEU A 52 -0.501 0.334 1.355 1.00 61.53 C ATOM 802 CD2 LEU A 52 -0.006 2.369 2.722 1.00 5.12 C ATOM 0 H LEU A 52 -1.302 2.608 -1.451 1.00 54.43 H new ATOM 0 HA LEU A 52 -0.197 4.407 0.449 1.00 33.40 H new ATOM 0 HB2 LEU A 52 0.491 1.630 -0.540 1.00 2.40 H new ATOM 0 HB3 LEU A 52 1.474 2.442 0.662 1.00 2.40 H new ATOM 0 HG LEU A 52 -1.466 2.225 1.173 1.00 25.34 H new ATOM 0 HD11 LEU A 52 -1.163 -0.016 2.147 1.00 61.53 H new ATOM 0 HD12 LEU A 52 -0.873 -0.015 0.391 1.00 61.53 H new ATOM 0 HD13 LEU A 52 0.502 -0.059 1.520 1.00 61.53 H new ATOM 0 HD21 LEU A 52 -0.674 1.991 3.496 1.00 5.12 H new ATOM 0 HD22 LEU A 52 1.010 2.027 2.921 1.00 5.12 H new ATOM 0 HD23 LEU A 52 -0.029 3.459 2.723 1.00 5.12 H new ATOM 814 N LEU A 53 1.790 3.584 -2.074 1.00 20.21 N ATOM 815 CA LEU A 53 2.937 4.037 -2.855 1.00 12.13 C ATOM 816 C LEU A 53 2.726 5.462 -3.356 1.00 3.01 C ATOM 817 O LEU A 53 3.561 6.339 -3.133 1.00 32.54 O ATOM 818 CB LEU A 53 3.175 3.098 -4.038 1.00 45.24 C ATOM 819 CG LEU A 53 3.244 1.606 -3.709 1.00 22.43 C ATOM 820 CD1 LEU A 53 3.662 0.808 -4.933 1.00 72.12 C ATOM 821 CD2 LEU A 53 4.206 1.359 -2.556 1.00 14.21 C ATOM 0 H LEU A 53 1.418 2.677 -2.357 1.00 20.21 H new ATOM 0 HA LEU A 53 3.814 4.026 -2.208 1.00 12.13 H new ATOM 0 HB2 LEU A 53 2.377 3.253 -4.765 1.00 45.24 H new ATOM 0 HB3 LEU A 53 4.108 3.386 -4.523 1.00 45.24 H new ATOM 0 HG LEU A 53 2.251 1.274 -3.406 1.00 22.43 H new ATOM 0 HD11 LEU A 53 3.706 -0.251 -4.679 1.00 72.12 H new ATOM 0 HD12 LEU A 53 2.936 0.960 -5.732 1.00 72.12 H new ATOM 0 HD13 LEU A 53 4.644 1.142 -5.267 1.00 72.12 H new ATOM 0 HD21 LEU A 53 4.243 0.292 -2.335 1.00 14.21 H new ATOM 0 HD22 LEU A 53 5.201 1.707 -2.832 1.00 14.21 H new ATOM 0 HD23 LEU A 53 3.864 1.900 -1.674 1.00 14.21 H new ATOM 833 N ARG A 54 1.605 5.686 -4.033 1.00 10.00 N ATOM 834 CA ARG A 54 1.284 7.005 -4.564 1.00 45.24 C ATOM 835 C ARG A 54 1.646 8.098 -3.563 1.00 5.52 C ATOM 836 O ARG A 54 1.950 9.227 -3.944 1.00 25.33 O ATOM 837 CB ARG A 54 -0.203 7.090 -4.913 1.00 0.32 C ATOM 838 CG ARG A 54 -0.650 8.479 -5.337 1.00 10.42 C ATOM 839 CD ARG A 54 -1.475 8.434 -6.614 1.00 51.34 C ATOM 840 NE ARG A 54 -1.348 9.664 -7.390 1.00 40.32 N ATOM 841 CZ ARG A 54 -0.229 10.037 -8.000 1.00 72.40 C ATOM 842 NH1 ARG A 54 0.856 9.278 -7.922 1.00 2.23 N ATOM 843 NH2 ARG A 54 -0.192 11.171 -8.689 1.00 62.40 N ATOM 0 H ARG A 54 0.904 4.971 -4.227 1.00 10.00 H new ATOM 0 HA ARG A 54 1.872 7.157 -5.469 1.00 45.24 H new ATOM 0 HB2 ARG A 54 -0.420 6.387 -5.717 1.00 0.32 H new ATOM 0 HB3 ARG A 54 -0.789 6.777 -4.049 1.00 0.32 H new ATOM 0 HG2 ARG A 54 -1.238 8.933 -4.539 1.00 10.42 H new ATOM 0 HG3 ARG A 54 0.224 9.113 -5.489 1.00 10.42 H new ATOM 0 HD2 ARG A 54 -1.156 7.587 -7.222 1.00 51.34 H new ATOM 0 HD3 ARG A 54 -2.523 8.270 -6.363 1.00 51.34 H new ATOM 0 HE ARG A 54 -2.164 10.271 -7.468 1.00 40.32 H new ATOM 0 HH11 ARG A 54 0.832 8.406 -7.393 1.00 2.23 H new ATOM 0 HH12 ARG A 54 1.715 9.566 -8.391 1.00 2.23 H new ATOM 0 HH21 ARG A 54 -1.024 11.758 -8.751 1.00 62.40 H new ATOM 0 HH22 ARG A 54 0.669 11.456 -9.157 1.00 62.40 H new ATOM 857 N GLY A 55 1.610 7.752 -2.279 1.00 11.32 N ATOM 858 CA GLY A 55 1.935 8.716 -1.244 1.00 31.05 C ATOM 859 C GLY A 55 3.399 8.673 -0.852 1.00 41.23 C ATOM 860 O GLY A 55 4.027 9.714 -0.655 1.00 53.42 O ATOM 0 H GLY A 55 1.362 6.823 -1.938 1.00 11.32 H new ATOM 0 HA2 GLY A 55 1.685 9.718 -1.593 1.00 31.05 H new ATOM 0 HA3 GLY A 55 1.321 8.522 -0.365 1.00 31.05 H new ATOM 864 N ILE A 56 3.946 7.467 -0.739 1.00 52.02 N ATOM 865 CA ILE A 56 5.344 7.294 -0.367 1.00 52.12 C ATOM 866 C ILE A 56 6.255 7.431 -1.583 1.00 33.44 C ATOM 867 O ILE A 56 7.464 7.212 -1.491 1.00 44.30 O ATOM 868 CB ILE A 56 5.586 5.923 0.291 1.00 64.12 C ATOM 869 CG1 ILE A 56 4.600 5.702 1.439 1.00 15.52 C ATOM 870 CG2 ILE A 56 7.020 5.821 0.790 1.00 11.31 C ATOM 871 CD1 ILE A 56 3.927 4.347 1.406 1.00 10.02 C ATOM 0 H ILE A 56 3.442 6.595 -0.900 1.00 52.02 H new ATOM 0 HA ILE A 56 5.580 8.078 0.352 1.00 52.12 H new ATOM 0 HB ILE A 56 5.425 5.145 -0.455 1.00 64.12 H new ATOM 0 HG12 ILE A 56 5.127 5.814 2.386 1.00 15.52 H new ATOM 0 HG13 ILE A 56 3.836 6.479 1.406 1.00 15.52 H new ATOM 0 HG21 ILE A 56 7.176 4.846 1.253 1.00 11.31 H new ATOM 0 HG22 ILE A 56 7.706 5.938 -0.049 1.00 11.31 H new ATOM 0 HG23 ILE A 56 7.206 6.605 1.524 1.00 11.31 H new ATOM 0 HD11 ILE A 56 3.242 4.260 2.249 1.00 10.02 H new ATOM 0 HD12 ILE A 56 3.371 4.239 0.474 1.00 10.02 H new ATOM 0 HD13 ILE A 56 4.682 3.564 1.470 1.00 10.02 H new ATOM 883 N SER A 57 5.669 7.796 -2.717 1.00 14.13 N ATOM 884 CA SER A 57 6.428 7.960 -3.952 1.00 74.11 C ATOM 885 C SER A 57 6.183 9.337 -4.560 1.00 1.03 C ATOM 886 O SER A 57 6.137 9.490 -5.781 1.00 61.41 O ATOM 887 CB SER A 57 6.050 6.872 -4.957 1.00 53.14 C ATOM 888 OG SER A 57 6.905 6.899 -6.086 1.00 34.34 O ATOM 0 H SER A 57 4.671 7.984 -2.808 1.00 14.13 H new ATOM 0 HA SER A 57 7.488 7.870 -3.713 1.00 74.11 H new ATOM 0 HB2 SER A 57 6.107 5.895 -4.478 1.00 53.14 H new ATOM 0 HB3 SER A 57 5.017 7.011 -5.276 1.00 53.14 H new ATOM 0 HG SER A 57 6.959 7.814 -6.434 1.00 34.34 H new ATOM 894 N ILE A 58 6.026 10.338 -3.700 1.00 30.12 N ATOM 895 CA ILE A 58 5.785 11.703 -4.153 1.00 32.54 C ATOM 896 C ILE A 58 7.088 12.384 -4.557 1.00 22.44 C ATOM 897 O ILE A 58 7.554 12.236 -5.688 1.00 41.35 O ATOM 898 CB ILE A 58 5.098 12.545 -3.062 1.00 72.35 C ATOM 899 CG1 ILE A 58 3.643 12.103 -2.888 1.00 63.24 C ATOM 900 CG2 ILE A 58 5.169 14.024 -3.409 1.00 25.43 C ATOM 901 CD1 ILE A 58 2.755 12.474 -4.056 1.00 34.34 C ATOM 0 H ILE A 58 6.061 10.230 -2.686 1.00 30.12 H new ATOM 0 HA ILE A 58 5.126 11.637 -5.019 1.00 32.54 H new ATOM 0 HB ILE A 58 5.622 12.388 -2.119 1.00 72.35 H new ATOM 0 HG12 ILE A 58 3.614 11.022 -2.749 1.00 63.24 H new ATOM 0 HG13 ILE A 58 3.241 12.552 -1.980 1.00 63.24 H new ATOM 0 HG21 ILE A 58 4.679 14.605 -2.628 1.00 25.43 H new ATOM 0 HG22 ILE A 58 6.212 14.330 -3.488 1.00 25.43 H new ATOM 0 HG23 ILE A 58 4.667 14.199 -4.360 1.00 25.43 H new ATOM 0 HD11 ILE A 58 1.739 12.130 -3.864 1.00 34.34 H new ATOM 0 HD12 ILE A 58 2.754 13.557 -4.183 1.00 34.34 H new ATOM 0 HD13 ILE A 58 3.132 12.003 -4.964 1.00 34.34 H new ATOM 913 N SER A 59 7.675 13.130 -3.626 1.00 42.43 N ATOM 914 CA SER A 59 8.924 13.836 -3.888 1.00 12.34 C ATOM 915 C SER A 59 9.753 13.960 -2.613 1.00 23.55 C ATOM 916 O SER A 59 10.546 13.076 -2.287 1.00 52.02 O ATOM 917 CB SER A 59 8.639 15.225 -4.460 1.00 50.04 C ATOM 918 OG SER A 59 8.113 15.138 -5.773 1.00 55.53 O ATOM 0 H SER A 59 7.306 13.261 -2.684 1.00 42.43 H new ATOM 0 HA SER A 59 9.493 13.260 -4.618 1.00 12.34 H new ATOM 0 HB2 SER A 59 7.933 15.749 -3.816 1.00 50.04 H new ATOM 0 HB3 SER A 59 9.557 15.813 -4.471 1.00 50.04 H new ATOM 0 HG SER A 59 7.987 14.196 -6.013 1.00 55.53 H new ATOM 924 N SER A 60 9.566 15.063 -1.896 1.00 4.13 N ATOM 925 CA SER A 60 10.299 15.306 -0.660 1.00 41.34 C ATOM 926 C SER A 60 11.797 15.410 -0.929 1.00 13.13 C ATOM 927 O SER A 60 12.609 15.405 -0.002 1.00 11.45 O ATOM 928 CB SER A 60 10.026 14.187 0.347 1.00 22.55 C ATOM 929 OG SER A 60 9.816 14.711 1.647 1.00 31.44 O ATOM 0 H SER A 60 8.912 15.803 -2.150 1.00 4.13 H new ATOM 0 HA SER A 60 9.956 16.253 -0.242 1.00 41.34 H new ATOM 0 HB2 SER A 60 9.150 13.618 0.035 1.00 22.55 H new ATOM 0 HB3 SER A 60 10.867 13.494 0.362 1.00 22.55 H new ATOM 0 HG SER A 60 9.075 15.352 1.626 1.00 31.44 H new ATOM 935 N LYS A 61 12.159 15.505 -2.204 1.00 13.12 N ATOM 936 CA LYS A 61 13.559 15.612 -2.598 1.00 70.45 C ATOM 937 C LYS A 61 14.027 17.063 -2.551 1.00 61.14 C ATOM 938 O LYS A 61 15.163 17.368 -2.912 1.00 45.14 O ATOM 939 CB LYS A 61 13.759 15.044 -4.005 1.00 13.22 C ATOM 940 CG LYS A 61 15.209 14.744 -4.339 1.00 61.44 C ATOM 941 CD LYS A 61 15.336 13.500 -5.205 1.00 15.42 C ATOM 942 CE LYS A 61 16.163 12.425 -4.517 1.00 71.41 C ATOM 943 NZ LYS A 61 15.306 11.374 -3.902 1.00 2.23 N ATOM 0 H LYS A 61 11.501 15.510 -2.983 1.00 13.12 H new ATOM 0 HA LYS A 61 14.155 15.034 -1.892 1.00 70.45 H new ATOM 0 HB2 LYS A 61 13.175 14.129 -4.105 1.00 13.22 H new ATOM 0 HB3 LYS A 61 13.366 15.754 -4.733 1.00 13.22 H new ATOM 0 HG2 LYS A 61 15.648 15.596 -4.858 1.00 61.44 H new ATOM 0 HG3 LYS A 61 15.775 14.606 -3.418 1.00 61.44 H new ATOM 0 HD2 LYS A 61 14.344 13.109 -5.430 1.00 15.42 H new ATOM 0 HD3 LYS A 61 15.798 13.763 -6.156 1.00 15.42 H new ATOM 0 HE2 LYS A 61 16.837 11.966 -5.241 1.00 71.41 H new ATOM 0 HE3 LYS A 61 16.785 12.882 -3.748 1.00 71.41 H new ATOM 0 HZ1 LYS A 61 15.907 10.660 -3.443 1.00 2.23 H new ATOM 0 HZ2 LYS A 61 14.681 11.807 -3.193 1.00 2.23 H new ATOM 0 HZ3 LYS A 61 14.731 10.920 -4.640 1.00 2.23 H new ATOM 957 N GLU A 62 13.146 17.950 -2.102 1.00 21.03 N ATOM 958 CA GLU A 62 13.472 19.369 -2.008 1.00 31.51 C ATOM 959 C GLU A 62 13.610 19.800 -0.551 1.00 33.51 C ATOM 960 O GLU A 62 12.778 19.461 0.289 1.00 60.05 O ATOM 961 CB GLU A 62 12.397 20.208 -2.701 1.00 2.15 C ATOM 962 CG GLU A 62 12.849 21.620 -3.037 1.00 33.50 C ATOM 963 CD GLU A 62 11.944 22.680 -2.442 1.00 40.52 C ATOM 964 OE1 GLU A 62 11.132 23.257 -3.197 1.00 2.04 O ATOM 965 OE2 GLU A 62 12.046 22.934 -1.224 1.00 71.14 O ATOM 0 H GLU A 62 12.202 17.712 -1.798 1.00 21.03 H new ATOM 0 HA GLU A 62 14.427 19.531 -2.508 1.00 31.51 H new ATOM 0 HB2 GLU A 62 12.091 19.705 -3.619 1.00 2.15 H new ATOM 0 HB3 GLU A 62 11.518 20.260 -2.058 1.00 2.15 H new ATOM 0 HG2 GLU A 62 13.865 21.769 -2.672 1.00 33.50 H new ATOM 0 HG3 GLU A 62 12.879 21.740 -4.120 1.00 33.50 H new ATOM 973 N SER A 63 14.669 20.549 -0.260 1.00 1.34 N ATOM 974 CA SER A 63 14.920 21.024 1.096 1.00 75.44 C ATOM 975 C SER A 63 14.773 22.540 1.177 1.00 72.32 C ATOM 976 O SER A 63 15.762 23.267 1.243 1.00 13.55 O ATOM 977 CB SER A 63 16.320 20.612 1.553 1.00 70.21 C ATOM 978 OG SER A 63 17.201 20.487 0.449 1.00 41.55 O ATOM 0 H SER A 63 15.367 20.840 -0.945 1.00 1.34 H new ATOM 0 HA SER A 63 14.181 20.569 1.756 1.00 75.44 H new ATOM 0 HB2 SER A 63 16.710 21.352 2.252 1.00 70.21 H new ATOM 0 HB3 SER A 63 16.267 19.664 2.089 1.00 70.21 H new ATOM 0 HG SER A 63 18.090 20.225 0.768 1.00 41.55 H new ATOM 984 N GLU A 64 13.528 23.009 1.171 1.00 70.41 N ATOM 985 CA GLU A 64 13.251 24.438 1.243 1.00 13.34 C ATOM 986 C GLU A 64 11.833 24.692 1.749 1.00 13.10 C ATOM 987 O GLU A 64 11.064 25.428 1.131 1.00 3.32 O ATOM 988 CB GLU A 64 13.438 25.086 -0.130 1.00 63.30 C ATOM 989 CG GLU A 64 14.164 26.420 -0.080 1.00 11.34 C ATOM 990 CD GLU A 64 15.152 26.589 -1.218 1.00 10.33 C ATOM 991 OE1 GLU A 64 14.957 27.511 -2.039 1.00 61.10 O ATOM 992 OE2 GLU A 64 16.119 25.803 -1.287 1.00 51.33 O ATOM 0 H GLU A 64 12.697 22.420 1.117 1.00 70.41 H new ATOM 0 HA GLU A 64 13.955 24.884 1.946 1.00 13.34 H new ATOM 0 HB2 GLU A 64 13.994 24.403 -0.772 1.00 63.30 H new ATOM 0 HB3 GLU A 64 12.461 25.231 -0.590 1.00 63.30 H new ATOM 0 HG2 GLU A 64 13.434 27.228 -0.115 1.00 11.34 H new ATOM 0 HG3 GLU A 64 14.691 26.507 0.870 1.00 11.34 H new ATOM 1000 N HIS A 65 11.495 24.077 2.877 1.00 14.22 N ATOM 1001 CA HIS A 65 10.171 24.236 3.467 1.00 24.02 C ATOM 1002 C HIS A 65 10.271 24.481 4.970 1.00 71.42 C ATOM 1003 O HIS A 65 11.057 23.834 5.664 1.00 52.34 O ATOM 1004 CB HIS A 65 9.315 22.997 3.195 1.00 21.53 C ATOM 1005 CG HIS A 65 9.326 22.566 1.762 1.00 42.52 C ATOM 1006 ND1 HIS A 65 8.424 23.032 0.828 1.00 55.03 N ATOM 1007 CD2 HIS A 65 10.137 21.707 1.100 1.00 11.14 C ATOM 1008 CE1 HIS A 65 8.677 22.477 -0.343 1.00 30.41 C ATOM 1009 NE2 HIS A 65 9.714 21.669 -0.204 1.00 42.14 N ATOM 0 H HIS A 65 12.119 23.464 3.401 1.00 14.22 H new ATOM 0 HA HIS A 65 9.697 25.103 3.007 1.00 24.02 H new ATOM 0 HB2 HIS A 65 9.672 22.175 3.816 1.00 21.53 H new ATOM 0 HB3 HIS A 65 8.288 23.202 3.497 1.00 21.53 H new ATOM 0 HD1 HIS A 65 7.677 23.702 1.013 1.00 55.03 H new ATOM 0 HD2 HIS A 65 10.964 21.154 1.521 1.00 11.14 H new ATOM 0 HE1 HIS A 65 8.130 22.653 -1.258 1.00 30.41 H new ATOM 1018 N THR A 66 9.469 25.418 5.467 1.00 21.33 N ATOM 1019 CA THR A 66 9.469 25.749 6.886 1.00 63.34 C ATOM 1020 C THR A 66 8.077 25.596 7.486 1.00 52.35 C ATOM 1021 O THR A 66 7.116 25.289 6.781 1.00 1.11 O ATOM 1022 CB THR A 66 9.965 27.187 7.129 1.00 70.14 C ATOM 1023 OG1 THR A 66 8.908 28.119 6.876 1.00 1.22 O ATOM 1024 CG2 THR A 66 11.153 27.507 6.234 1.00 11.22 C ATOM 0 H THR A 66 8.811 25.961 4.907 1.00 21.33 H new ATOM 0 HA THR A 66 10.151 25.051 7.372 1.00 63.34 H new ATOM 0 HB THR A 66 10.280 27.268 8.169 1.00 70.14 H new ATOM 0 HG1 THR A 66 9.231 29.031 7.034 1.00 1.22 H new ATOM 0 HG21 THR A 66 11.486 28.527 6.423 1.00 11.22 H new ATOM 0 HG22 THR A 66 11.967 26.814 6.448 1.00 11.22 H new ATOM 0 HG23 THR A 66 10.858 27.409 5.189 1.00 11.22 H new ATOM 1032 N GLY A 67 7.972 25.814 8.794 1.00 72.40 N ATOM 1033 CA GLY A 67 6.692 25.695 9.467 1.00 63.30 C ATOM 1034 C GLY A 67 6.156 24.278 9.447 1.00 13.52 C ATOM 1035 O GLY A 67 6.708 23.392 8.796 1.00 74.42 O ATOM 0 H GLY A 67 8.752 26.071 9.399 1.00 72.40 H new ATOM 0 HA2 GLY A 67 6.796 26.026 10.500 1.00 63.30 H new ATOM 0 HA3 GLY A 67 5.971 26.359 8.990 1.00 63.30 H new ATOM 1039 N PRO A 68 5.054 24.049 10.176 1.00 63.12 N ATOM 1040 CA PRO A 68 4.418 22.730 10.256 1.00 30.12 C ATOM 1041 C PRO A 68 3.754 22.325 8.945 1.00 41.22 C ATOM 1042 O PRO A 68 2.530 22.363 8.820 1.00 32.02 O ATOM 1043 CB PRO A 68 3.368 22.910 11.355 1.00 73.11 C ATOM 1044 CG PRO A 68 3.061 24.367 11.353 1.00 42.44 C ATOM 1045 CD PRO A 68 4.342 25.058 10.977 1.00 52.22 C ATOM 0 HA PRO A 68 5.141 21.941 10.463 1.00 30.12 H new ATOM 0 HB2 PRO A 68 2.476 22.318 11.151 1.00 73.11 H new ATOM 0 HB3 PRO A 68 3.750 22.588 12.324 1.00 73.11 H new ATOM 0 HG2 PRO A 68 2.269 24.598 10.641 1.00 42.44 H new ATOM 0 HG3 PRO A 68 2.714 24.694 12.333 1.00 42.44 H new ATOM 0 HD2 PRO A 68 4.155 25.966 10.404 1.00 52.22 H new ATOM 0 HD3 PRO A 68 4.915 25.349 11.858 1.00 52.22 H new ATOM 1053 N GLY A 69 4.568 21.937 7.969 1.00 21.54 N ATOM 1054 CA GLY A 69 4.042 21.531 6.680 1.00 51.23 C ATOM 1055 C GLY A 69 4.434 20.113 6.314 1.00 63.14 C ATOM 1056 O GLY A 69 3.610 19.199 6.366 1.00 12.23 O ATOM 0 H GLY A 69 5.584 21.897 8.048 1.00 21.54 H new ATOM 0 HA2 GLY A 69 2.955 21.612 6.693 1.00 51.23 H new ATOM 0 HA3 GLY A 69 4.404 22.214 5.912 1.00 51.23 H new ATOM 1060 N TRP A 70 5.696 19.929 5.941 1.00 75.13 N ATOM 1061 CA TRP A 70 6.194 18.611 5.562 1.00 20.41 C ATOM 1062 C TRP A 70 6.389 17.728 6.790 1.00 55.33 C ATOM 1063 O TRP A 70 6.466 16.505 6.680 1.00 10.51 O ATOM 1064 CB TRP A 70 7.514 18.743 4.800 1.00 33.13 C ATOM 1065 CG TRP A 70 7.341 19.222 3.392 1.00 51.21 C ATOM 1066 CD1 TRP A 70 7.229 20.518 2.976 1.00 44.34 C ATOM 1067 CD2 TRP A 70 7.259 18.411 2.214 1.00 25.13 C ATOM 1068 NE1 TRP A 70 7.081 20.561 1.609 1.00 4.03 N ATOM 1069 CE2 TRP A 70 7.098 19.283 1.119 1.00 41.25 C ATOM 1070 CE3 TRP A 70 7.309 17.035 1.978 1.00 53.33 C ATOM 1071 CZ2 TRP A 70 6.985 18.819 -0.189 1.00 52.52 C ATOM 1072 CZ3 TRP A 70 7.195 16.578 0.680 1.00 43.12 C ATOM 1073 CH2 TRP A 70 7.035 17.467 -0.391 1.00 73.11 C ATOM 0 H TRP A 70 6.391 20.674 5.893 1.00 75.13 H new ATOM 0 HA TRP A 70 5.453 18.142 4.915 1.00 20.41 H new ATOM 0 HB2 TRP A 70 8.166 19.434 5.334 1.00 33.13 H new ATOM 0 HB3 TRP A 70 8.017 17.776 4.788 1.00 33.13 H new ATOM 0 HD1 TRP A 70 7.253 21.381 3.624 1.00 44.34 H new ATOM 0 HE1 TRP A 70 6.976 21.408 1.051 1.00 4.03 H new ATOM 0 HE3 TRP A 70 7.435 16.341 2.796 1.00 53.33 H new ATOM 0 HZ2 TRP A 70 6.862 19.503 -1.016 1.00 52.52 H new ATOM 0 HZ3 TRP A 70 7.230 15.516 0.487 1.00 43.12 H new ATOM 0 HH2 TRP A 70 6.950 17.078 -1.395 1.00 73.11 H new ATOM 1084 N GLU A 71 6.466 18.358 7.960 1.00 63.22 N ATOM 1085 CA GLU A 71 6.651 17.627 9.209 1.00 45.12 C ATOM 1086 C GLU A 71 5.545 16.593 9.403 1.00 25.54 C ATOM 1087 O GLU A 71 5.817 15.405 9.577 1.00 13.45 O ATOM 1088 CB GLU A 71 6.673 18.596 10.393 1.00 63.22 C ATOM 1089 CG GLU A 71 8.059 18.806 10.981 1.00 41.34 C ATOM 1090 CD GLU A 71 8.020 19.475 12.341 1.00 11.33 C ATOM 1091 OE1 GLU A 71 9.033 20.095 12.727 1.00 53.01 O ATOM 1092 OE2 GLU A 71 6.976 19.380 13.019 1.00 75.33 O ATOM 0 H GLU A 71 6.403 19.370 8.068 1.00 63.22 H new ATOM 0 HA GLU A 71 7.607 17.105 9.158 1.00 45.12 H new ATOM 0 HB2 GLU A 71 6.274 19.558 10.072 1.00 63.22 H new ATOM 0 HB3 GLU A 71 6.010 18.220 11.172 1.00 63.22 H new ATOM 0 HG2 GLU A 71 8.562 17.843 11.068 1.00 41.34 H new ATOM 0 HG3 GLU A 71 8.651 19.415 10.298 1.00 41.34 H new ATOM 1100 N SER A 72 4.300 17.055 9.372 1.00 41.54 N ATOM 1101 CA SER A 72 3.154 16.171 9.550 1.00 0.51 C ATOM 1102 C SER A 72 3.081 15.142 8.426 1.00 30.21 C ATOM 1103 O SER A 72 2.694 13.994 8.645 1.00 22.22 O ATOM 1104 CB SER A 72 1.859 16.986 9.595 1.00 61.30 C ATOM 1105 OG SER A 72 1.980 18.089 10.474 1.00 54.05 O ATOM 0 H SER A 72 4.059 18.035 9.225 1.00 41.54 H new ATOM 0 HA SER A 72 3.277 15.642 10.495 1.00 0.51 H new ATOM 0 HB2 SER A 72 1.614 17.340 8.594 1.00 61.30 H new ATOM 0 HB3 SER A 72 1.036 16.349 9.918 1.00 61.30 H new ATOM 0 HG SER A 72 1.140 18.594 10.483 1.00 54.05 H new ATOM 1111 N ALA A 73 3.458 15.562 7.223 1.00 52.25 N ATOM 1112 CA ALA A 73 3.439 14.676 6.065 1.00 4.21 C ATOM 1113 C ALA A 73 4.426 13.527 6.235 1.00 74.32 C ATOM 1114 O ALA A 73 4.108 12.374 5.944 1.00 15.50 O ATOM 1115 CB ALA A 73 3.751 15.459 4.797 1.00 75.13 C ATOM 0 H ALA A 73 3.780 16.509 7.025 1.00 52.25 H new ATOM 0 HA ALA A 73 2.439 14.251 5.981 1.00 4.21 H new ATOM 0 HB1 ALA A 73 3.734 14.786 3.940 1.00 75.13 H new ATOM 0 HB2 ALA A 73 3.004 16.241 4.659 1.00 75.13 H new ATOM 0 HB3 ALA A 73 4.739 15.912 4.883 1.00 75.13 H new ATOM 1121 N ARG A 74 5.625 13.849 6.710 1.00 45.02 N ATOM 1122 CA ARG A 74 6.659 12.842 6.917 1.00 21.23 C ATOM 1123 C ARG A 74 6.226 11.826 7.969 1.00 53.50 C ATOM 1124 O ARG A 74 6.647 10.670 7.938 1.00 12.15 O ATOM 1125 CB ARG A 74 7.970 13.507 7.345 1.00 1.12 C ATOM 1126 CG ARG A 74 8.847 13.926 6.177 1.00 24.33 C ATOM 1127 CD ARG A 74 10.323 13.725 6.492 1.00 4.33 C ATOM 1128 NE ARG A 74 10.924 12.690 5.655 1.00 74.31 N ATOM 1129 CZ ARG A 74 12.234 12.558 5.477 1.00 3.25 C ATOM 1130 NH1 ARG A 74 13.076 13.394 6.071 1.00 15.22 N ATOM 1131 NH2 ARG A 74 12.705 11.590 4.702 1.00 24.35 N ATOM 0 H ARG A 74 5.904 14.798 6.958 1.00 45.02 H new ATOM 0 HA ARG A 74 6.815 12.319 5.974 1.00 21.23 H new ATOM 0 HB2 ARG A 74 7.742 14.384 7.951 1.00 1.12 H new ATOM 0 HB3 ARG A 74 8.528 12.818 7.979 1.00 1.12 H new ATOM 0 HG2 ARG A 74 8.580 13.347 5.293 1.00 24.33 H new ATOM 0 HG3 ARG A 74 8.663 14.974 5.939 1.00 24.33 H new ATOM 0 HD2 ARG A 74 10.856 14.664 6.346 1.00 4.33 H new ATOM 0 HD3 ARG A 74 10.436 13.454 7.542 1.00 4.33 H new ATOM 0 HE ARG A 74 10.304 12.033 5.181 1.00 74.31 H new ATOM 0 HH11 ARG A 74 12.718 14.141 6.666 1.00 15.22 H new ATOM 0 HH12 ARG A 74 14.081 13.290 5.932 1.00 15.22 H new ATOM 0 HH21 ARG A 74 12.061 10.946 4.242 1.00 24.35 H new ATOM 0 HH22 ARG A 74 13.711 11.490 4.566 1.00 24.35 H new ATOM 1145 N GLN A 75 5.383 12.267 8.898 1.00 32.44 N ATOM 1146 CA GLN A 75 4.895 11.395 9.961 1.00 44.33 C ATOM 1147 C GLN A 75 3.801 10.466 9.442 1.00 12.12 C ATOM 1148 O GLN A 75 3.536 9.416 10.028 1.00 15.25 O ATOM 1149 CB GLN A 75 4.360 12.227 11.127 1.00 2.24 C ATOM 1150 CG GLN A 75 5.390 12.476 12.219 1.00 5.11 C ATOM 1151 CD GLN A 75 4.874 12.123 13.599 1.00 60.21 C ATOM 1152 OE1 GLN A 75 4.402 12.987 14.338 1.00 32.32 O ATOM 1153 NE2 GLN A 75 4.959 10.845 13.954 1.00 14.12 N ATOM 0 H GLN A 75 5.024 13.221 8.936 1.00 32.44 H new ATOM 0 HA GLN A 75 5.730 10.787 10.310 1.00 44.33 H new ATOM 0 HB2 GLN A 75 4.007 13.185 10.747 1.00 2.24 H new ATOM 0 HB3 GLN A 75 3.499 11.719 11.560 1.00 2.24 H new ATOM 0 HG2 GLN A 75 6.285 11.890 12.009 1.00 5.11 H new ATOM 0 HG3 GLN A 75 5.685 13.525 12.203 1.00 5.11 H new ATOM 0 HE21 GLN A 75 5.358 10.162 13.310 1.00 14.12 H new ATOM 0 HE22 GLN A 75 4.626 10.547 14.871 1.00 14.12 H new ATOM 1162 N MET A 76 3.171 10.859 8.340 1.00 50.13 N ATOM 1163 CA MET A 76 2.107 10.060 7.742 1.00 22.25 C ATOM 1164 C MET A 76 2.668 9.099 6.700 1.00 5.44 C ATOM 1165 O MET A 76 2.055 8.078 6.389 1.00 32.04 O ATOM 1166 CB MET A 76 1.056 10.968 7.104 1.00 44.23 C ATOM 1167 CG MET A 76 0.183 11.693 8.115 1.00 12.35 C ATOM 1168 SD MET A 76 -0.057 13.433 7.705 1.00 23.53 S ATOM 1169 CE MET A 76 -0.425 13.322 5.956 1.00 51.42 C ATOM 0 H MET A 76 3.378 11.725 7.843 1.00 50.13 H new ATOM 0 HA MET A 76 1.638 9.475 8.533 1.00 22.25 H new ATOM 0 HB2 MET A 76 1.557 11.704 6.476 1.00 44.23 H new ATOM 0 HB3 MET A 76 0.421 10.371 6.450 1.00 44.23 H new ATOM 0 HG2 MET A 76 -0.787 11.200 8.171 1.00 12.35 H new ATOM 0 HG3 MET A 76 0.637 11.616 9.103 1.00 12.35 H new ATOM 0 HE1 MET A 76 -1.027 14.180 5.656 1.00 51.42 H new ATOM 0 HE2 MET A 76 0.505 13.315 5.388 1.00 51.42 H new ATOM 0 HE3 MET A 76 -0.978 12.404 5.758 1.00 51.42 H new ATOM 1179 N GLN A 77 3.837 9.435 6.162 1.00 64.12 N ATOM 1180 CA GLN A 77 4.481 8.601 5.152 1.00 51.53 C ATOM 1181 C GLN A 77 5.087 7.353 5.783 1.00 23.54 C ATOM 1182 O GLN A 77 4.912 6.244 5.279 1.00 61.30 O ATOM 1183 CB GLN A 77 5.563 9.396 4.419 1.00 25.32 C ATOM 1184 CG GLN A 77 5.191 9.755 2.989 1.00 21.25 C ATOM 1185 CD GLN A 77 6.337 10.399 2.233 1.00 50.41 C ATOM 1186 OE1 GLN A 77 7.484 10.371 2.680 1.00 44.45 O ATOM 1187 NE2 GLN A 77 6.030 10.985 1.081 1.00 11.14 N ATOM 0 H GLN A 77 4.357 10.277 6.408 1.00 64.12 H new ATOM 0 HA GLN A 77 3.722 8.289 4.435 1.00 51.53 H new ATOM 0 HB2 GLN A 77 5.767 10.312 4.973 1.00 25.32 H new ATOM 0 HB3 GLN A 77 6.486 8.816 4.411 1.00 25.32 H new ATOM 0 HG2 GLN A 77 4.874 8.855 2.463 1.00 21.25 H new ATOM 0 HG3 GLN A 77 4.339 10.435 2.999 1.00 21.25 H new ATOM 0 HE21 GLN A 77 5.065 10.984 0.749 1.00 11.14 H new ATOM 0 HE22 GLN A 77 6.759 11.436 0.528 1.00 11.14 H new ATOM 1196 N GLN A 78 5.803 7.542 6.887 1.00 52.41 N ATOM 1197 CA GLN A 78 6.438 6.431 7.587 1.00 44.54 C ATOM 1198 C GLN A 78 5.399 5.414 8.048 1.00 53.31 C ATOM 1199 O GLN A 78 5.655 4.210 8.062 1.00 11.10 O ATOM 1200 CB GLN A 78 7.236 6.944 8.786 1.00 42.14 C ATOM 1201 CG GLN A 78 8.426 6.067 9.142 1.00 3.45 C ATOM 1202 CD GLN A 78 9.105 6.500 10.428 1.00 41.51 C ATOM 1203 OE1 GLN A 78 8.548 7.277 11.205 1.00 4.42 O ATOM 1204 NE2 GLN A 78 10.312 5.999 10.659 1.00 73.11 N ATOM 0 H GLN A 78 5.958 8.454 7.316 1.00 52.41 H new ATOM 0 HA GLN A 78 7.119 5.938 6.893 1.00 44.54 H new ATOM 0 HB2 GLN A 78 7.589 7.953 8.573 1.00 42.14 H new ATOM 0 HB3 GLN A 78 6.575 7.014 9.650 1.00 42.14 H new ATOM 0 HG2 GLN A 78 8.094 5.033 9.241 1.00 3.45 H new ATOM 0 HG3 GLN A 78 9.149 6.093 8.327 1.00 3.45 H new ATOM 0 HE21 GLN A 78 10.735 5.358 9.988 1.00 73.11 H new ATOM 0 HE22 GLN A 78 10.816 6.254 11.508 1.00 73.11 H new ATOM 1213 N LYS A 79 4.224 5.907 8.427 1.00 12.14 N ATOM 1214 CA LYS A 79 3.145 5.043 8.890 1.00 42.34 C ATOM 1215 C LYS A 79 2.632 4.159 7.757 1.00 13.43 C ATOM 1216 O LYS A 79 2.459 2.953 7.928 1.00 2.34 O ATOM 1217 CB LYS A 79 1.997 5.883 9.455 1.00 15.41 C ATOM 1218 CG LYS A 79 1.488 5.391 10.799 1.00 65.11 C ATOM 1219 CD LYS A 79 0.516 6.379 11.422 1.00 22.34 C ATOM 1220 CE LYS A 79 -0.677 5.669 12.043 1.00 15.32 C ATOM 1221 NZ LYS A 79 -0.365 5.143 13.401 1.00 61.33 N ATOM 0 H LYS A 79 3.995 6.901 8.422 1.00 12.14 H new ATOM 0 HA LYS A 79 3.540 4.402 9.678 1.00 42.34 H new ATOM 0 HB2 LYS A 79 2.330 6.916 9.558 1.00 15.41 H new ATOM 0 HB3 LYS A 79 1.173 5.883 8.742 1.00 15.41 H new ATOM 0 HG2 LYS A 79 0.997 4.426 10.672 1.00 65.11 H new ATOM 0 HG3 LYS A 79 2.330 5.234 11.473 1.00 65.11 H new ATOM 0 HD2 LYS A 79 1.029 6.965 12.184 1.00 22.34 H new ATOM 0 HD3 LYS A 79 0.169 7.079 10.662 1.00 22.34 H new ATOM 0 HE2 LYS A 79 -1.518 6.359 12.106 1.00 15.32 H new ATOM 0 HE3 LYS A 79 -0.987 4.847 11.398 1.00 15.32 H new ATOM 0 HZ1 LYS A 79 -1.204 4.666 13.790 1.00 61.33 H new ATOM 0 HZ2 LYS A 79 0.421 4.465 13.338 1.00 61.33 H new ATOM 0 HZ3 LYS A 79 -0.094 5.930 14.024 1.00 61.33 H new ATOM 1235 N MET A 80 2.389 4.768 6.601 1.00 64.24 N ATOM 1236 CA MET A 80 1.899 4.036 5.440 1.00 45.31 C ATOM 1237 C MET A 80 2.866 2.923 5.049 1.00 31.51 C ATOM 1238 O MET A 80 2.452 1.805 4.743 1.00 10.14 O ATOM 1239 CB MET A 80 1.694 4.986 4.258 1.00 3.14 C ATOM 1240 CG MET A 80 0.297 5.584 4.193 1.00 23.12 C ATOM 1241 SD MET A 80 -0.195 6.019 2.514 1.00 25.53 S ATOM 1242 CE MET A 80 1.015 7.282 2.124 1.00 54.21 C ATOM 0 H MET A 80 2.524 5.767 6.444 1.00 64.24 H new ATOM 0 HA MET A 80 0.942 3.586 5.706 1.00 45.31 H new ATOM 0 HB2 MET A 80 2.423 5.794 4.321 1.00 3.14 H new ATOM 0 HB3 MET A 80 1.893 4.448 3.331 1.00 3.14 H new ATOM 0 HG2 MET A 80 -0.418 4.872 4.604 1.00 23.12 H new ATOM 0 HG3 MET A 80 0.257 6.474 4.821 1.00 23.12 H new ATOM 0 HE1 MET A 80 0.503 8.204 1.849 1.00 54.21 H new ATOM 0 HE2 MET A 80 1.646 7.463 2.994 1.00 54.21 H new ATOM 0 HE3 MET A 80 1.633 6.948 1.291 1.00 54.21 H new ATOM 1252 N LYS A 81 4.157 3.236 5.063 1.00 24.34 N ATOM 1253 CA LYS A 81 5.185 2.263 4.712 1.00 4.42 C ATOM 1254 C LYS A 81 5.128 1.054 5.638 1.00 74.13 C ATOM 1255 O LYS A 81 5.223 -0.089 5.191 1.00 42.22 O ATOM 1256 CB LYS A 81 6.571 2.907 4.781 1.00 4.33 C ATOM 1257 CG LYS A 81 7.321 2.879 3.459 1.00 35.14 C ATOM 1258 CD LYS A 81 8.642 3.623 3.552 1.00 24.11 C ATOM 1259 CE LYS A 81 9.803 2.757 3.089 1.00 4.11 C ATOM 1260 NZ LYS A 81 10.208 1.770 4.127 1.00 35.22 N ATOM 0 H LYS A 81 4.517 4.157 5.314 1.00 24.34 H new ATOM 0 HA LYS A 81 4.998 1.926 3.692 1.00 4.42 H new ATOM 0 HB2 LYS A 81 6.466 3.942 5.108 1.00 4.33 H new ATOM 0 HB3 LYS A 81 7.164 2.393 5.537 1.00 4.33 H new ATOM 0 HG2 LYS A 81 7.504 1.845 3.165 1.00 35.14 H new ATOM 0 HG3 LYS A 81 6.704 3.327 2.680 1.00 35.14 H new ATOM 0 HD2 LYS A 81 8.596 4.526 2.944 1.00 24.11 H new ATOM 0 HD3 LYS A 81 8.811 3.940 4.581 1.00 24.11 H new ATOM 0 HE2 LYS A 81 9.522 2.230 2.177 1.00 4.11 H new ATOM 0 HE3 LYS A 81 10.653 3.392 2.841 1.00 4.11 H new ATOM 0 HZ1 LYS A 81 11.002 1.199 3.772 1.00 35.22 H new ATOM 0 HZ2 LYS A 81 10.501 2.273 4.989 1.00 35.22 H new ATOM 0 HZ3 LYS A 81 9.405 1.147 4.346 1.00 35.22 H new ATOM 1274 N GLU A 82 4.972 1.313 6.933 1.00 23.32 N ATOM 1275 CA GLU A 82 4.901 0.244 7.923 1.00 62.43 C ATOM 1276 C GLU A 82 3.648 -0.603 7.722 1.00 51.42 C ATOM 1277 O GLU A 82 3.642 -1.802 7.998 1.00 23.14 O ATOM 1278 CB GLU A 82 4.915 0.826 9.337 1.00 24.12 C ATOM 1279 CG GLU A 82 6.296 1.259 9.803 1.00 42.23 C ATOM 1280 CD GLU A 82 6.602 0.811 11.219 1.00 51.13 C ATOM 1281 OE1 GLU A 82 7.468 1.435 11.865 1.00 24.22 O ATOM 1282 OE2 GLU A 82 5.974 -0.165 11.681 1.00 54.01 O ATOM 0 H GLU A 82 4.892 2.253 7.321 1.00 23.32 H new ATOM 0 HA GLU A 82 5.774 -0.395 7.792 1.00 62.43 H new ATOM 0 HB2 GLU A 82 4.243 1.683 9.375 1.00 24.12 H new ATOM 0 HB3 GLU A 82 4.523 0.082 10.031 1.00 24.12 H new ATOM 0 HG2 GLU A 82 7.048 0.852 9.127 1.00 42.23 H new ATOM 0 HG3 GLU A 82 6.371 2.345 9.746 1.00 42.23 H new ATOM 1290 N THR A 83 2.583 0.034 7.241 1.00 61.45 N ATOM 1291 CA THR A 83 1.323 -0.659 7.004 1.00 54.43 C ATOM 1292 C THR A 83 1.332 -1.375 5.658 1.00 21.12 C ATOM 1293 O THR A 83 0.581 -2.328 5.445 1.00 41.22 O ATOM 1294 CB THR A 83 0.130 0.315 7.046 1.00 4.02 C ATOM 1295 OG1 THR A 83 -0.332 0.464 8.393 1.00 42.50 O ATOM 1296 CG2 THR A 83 -1.006 -0.181 6.166 1.00 21.30 C ATOM 0 H THR A 83 2.569 1.027 7.009 1.00 61.45 H new ATOM 0 HA THR A 83 1.212 -1.394 7.802 1.00 54.43 H new ATOM 0 HB THR A 83 0.464 1.281 6.668 1.00 4.02 H new ATOM 0 HG1 THR A 83 -0.841 1.298 8.474 1.00 42.50 H new ATOM 0 HG21 THR A 83 -1.836 0.524 6.212 1.00 21.30 H new ATOM 0 HG22 THR A 83 -0.659 -0.265 5.136 1.00 21.30 H new ATOM 0 HG23 THR A 83 -1.339 -1.158 6.517 1.00 21.30 H new ATOM 1304 N LEU A 84 2.186 -0.911 4.752 1.00 13.11 N ATOM 1305 CA LEU A 84 2.294 -1.508 3.425 1.00 14.45 C ATOM 1306 C LEU A 84 2.837 -2.930 3.511 1.00 74.44 C ATOM 1307 O LEU A 84 2.180 -3.881 3.089 1.00 53.33 O ATOM 1308 CB LEU A 84 3.200 -0.657 2.534 1.00 72.51 C ATOM 1309 CG LEU A 84 3.892 -1.390 1.385 1.00 52.11 C ATOM 1310 CD1 LEU A 84 2.875 -1.833 0.346 1.00 74.13 C ATOM 1311 CD2 LEU A 84 4.955 -0.506 0.752 1.00 61.41 C ATOM 0 H LEU A 84 2.814 -0.123 4.912 1.00 13.11 H new ATOM 0 HA LEU A 84 1.296 -1.546 2.988 1.00 14.45 H new ATOM 0 HB2 LEU A 84 2.605 0.154 2.115 1.00 72.51 H new ATOM 0 HB3 LEU A 84 3.966 -0.200 3.160 1.00 72.51 H new ATOM 0 HG LEU A 84 4.380 -2.278 1.787 1.00 52.11 H new ATOM 0 HD11 LEU A 84 3.386 -2.353 -0.464 1.00 74.13 H new ATOM 0 HD12 LEU A 84 2.151 -2.504 0.808 1.00 74.13 H new ATOM 0 HD13 LEU A 84 2.358 -0.960 -0.052 1.00 74.13 H new ATOM 0 HD21 LEU A 84 5.437 -1.044 -0.064 1.00 61.41 H new ATOM 0 HD22 LEU A 84 4.491 0.401 0.364 1.00 61.41 H new ATOM 0 HD23 LEU A 84 5.700 -0.240 1.501 1.00 61.41 H new ATOM 1323 N GLN A 85 4.038 -3.069 4.062 1.00 2.42 N ATOM 1324 CA GLN A 85 4.668 -4.376 4.205 1.00 51.21 C ATOM 1325 C GLN A 85 3.731 -5.357 4.901 1.00 65.23 C ATOM 1326 O GLN A 85 3.644 -6.524 4.518 1.00 11.45 O ATOM 1327 CB GLN A 85 5.974 -4.253 4.991 1.00 53.50 C ATOM 1328 CG GLN A 85 5.814 -3.557 6.334 1.00 41.53 C ATOM 1329 CD GLN A 85 7.113 -3.479 7.109 1.00 53.53 C ATOM 1330 OE1 GLN A 85 7.991 -2.675 6.796 1.00 3.11 O ATOM 1331 NE2 GLN A 85 7.243 -4.318 8.131 1.00 12.03 N ATOM 0 H GLN A 85 4.595 -2.292 4.417 1.00 2.42 H new ATOM 0 HA GLN A 85 4.888 -4.757 3.208 1.00 51.21 H new ATOM 0 HB2 GLN A 85 6.385 -5.249 5.154 1.00 53.50 H new ATOM 0 HB3 GLN A 85 6.699 -3.704 4.391 1.00 53.50 H new ATOM 0 HG2 GLN A 85 5.430 -2.550 6.173 1.00 41.53 H new ATOM 0 HG3 GLN A 85 5.072 -4.090 6.929 1.00 41.53 H new ATOM 0 HE21 GLN A 85 6.490 -4.968 8.356 1.00 12.03 H new ATOM 0 HE22 GLN A 85 8.096 -4.312 8.691 1.00 12.03 H new ATOM 1340 N ASN A 86 3.034 -4.878 5.925 1.00 1.45 N ATOM 1341 CA ASN A 86 2.105 -5.715 6.676 1.00 15.31 C ATOM 1342 C ASN A 86 0.907 -6.103 5.816 1.00 22.22 C ATOM 1343 O ASN A 86 0.178 -7.044 6.134 1.00 22.02 O ATOM 1344 CB ASN A 86 1.629 -4.983 7.933 1.00 60.23 C ATOM 1345 CG ASN A 86 2.139 -5.631 9.206 1.00 25.01 C ATOM 1346 OD1 ASN A 86 2.865 -6.624 9.163 1.00 64.31 O ATOM 1347 ND2 ASN A 86 1.762 -5.068 10.347 1.00 14.22 N ATOM 0 H ASN A 86 3.094 -3.915 6.254 1.00 1.45 H new ATOM 0 HA ASN A 86 2.629 -6.624 6.970 1.00 15.31 H new ATOM 0 HB2 ASN A 86 1.965 -3.947 7.896 1.00 60.23 H new ATOM 0 HB3 ASN A 86 0.539 -4.965 7.949 1.00 60.23 H new ATOM 0 HD21 ASN A 86 2.075 -5.458 11.236 1.00 14.22 H new ATOM 0 HD22 ASN A 86 1.159 -4.245 10.335 1.00 14.22 H new ATOM 1354 N VAL A 87 0.708 -5.374 4.722 1.00 33.23 N ATOM 1355 CA VAL A 87 -0.400 -5.643 3.815 1.00 52.13 C ATOM 1356 C VAL A 87 0.030 -6.563 2.680 1.00 43.04 C ATOM 1357 O VAL A 87 -0.649 -7.544 2.369 1.00 32.45 O ATOM 1358 CB VAL A 87 -0.965 -4.339 3.218 1.00 53.34 C ATOM 1359 CG1 VAL A 87 -1.502 -4.584 1.816 1.00 50.04 C ATOM 1360 CG2 VAL A 87 -2.049 -3.766 4.119 1.00 30.21 C ATOM 0 H VAL A 87 1.301 -4.592 4.443 1.00 33.23 H new ATOM 0 HA VAL A 87 -1.177 -6.133 4.401 1.00 52.13 H new ATOM 0 HB VAL A 87 -0.157 -3.610 3.151 1.00 53.34 H new ATOM 0 HG11 VAL A 87 -1.897 -3.653 1.410 1.00 50.04 H new ATOM 0 HG12 VAL A 87 -0.697 -4.947 1.176 1.00 50.04 H new ATOM 0 HG13 VAL A 87 -2.297 -5.329 1.856 1.00 50.04 H new ATOM 0 HG21 VAL A 87 -2.436 -2.846 3.682 1.00 30.21 H new ATOM 0 HG22 VAL A 87 -2.859 -4.489 4.219 1.00 30.21 H new ATOM 0 HG23 VAL A 87 -1.630 -3.552 5.102 1.00 30.21 H new ATOM 1370 N ARG A 88 1.162 -6.243 2.062 1.00 34.51 N ATOM 1371 CA ARG A 88 1.684 -7.043 0.958 1.00 33.33 C ATOM 1372 C ARG A 88 1.533 -8.533 1.249 1.00 32.04 C ATOM 1373 O ARG A 88 1.008 -9.287 0.428 1.00 22.31 O ATOM 1374 CB ARG A 88 3.156 -6.708 0.711 1.00 45.43 C ATOM 1375 CG ARG A 88 3.362 -5.559 -0.265 1.00 52.25 C ATOM 1376 CD ARG A 88 4.793 -5.514 -0.776 1.00 11.34 C ATOM 1377 NE ARG A 88 4.861 -5.653 -2.227 1.00 44.44 N ATOM 1378 CZ ARG A 88 5.970 -5.977 -2.884 1.00 64.01 C ATOM 1379 NH1 ARG A 88 7.097 -6.195 -2.221 1.00 12.41 N ATOM 1380 NH2 ARG A 88 5.952 -6.086 -4.207 1.00 0.45 N ATOM 0 H ARG A 88 1.736 -5.436 2.306 1.00 34.51 H new ATOM 0 HA ARG A 88 1.108 -6.804 0.064 1.00 33.33 H new ATOM 0 HB2 ARG A 88 3.627 -6.456 1.661 1.00 45.43 H new ATOM 0 HB3 ARG A 88 3.663 -7.594 0.329 1.00 45.43 H new ATOM 0 HG2 ARG A 88 2.677 -5.667 -1.106 1.00 52.25 H new ATOM 0 HG3 ARG A 88 3.119 -4.616 0.225 1.00 52.25 H new ATOM 0 HD2 ARG A 88 5.254 -4.572 -0.480 1.00 11.34 H new ATOM 0 HD3 ARG A 88 5.370 -6.312 -0.308 1.00 11.34 H new ATOM 0 HE ARG A 88 4.011 -5.493 -2.767 1.00 44.44 H new ATOM 0 HH11 ARG A 88 7.114 -6.114 -1.204 1.00 12.41 H new ATOM 0 HH12 ARG A 88 7.947 -6.444 -2.728 1.00 12.41 H new ATOM 0 HH21 ARG A 88 5.086 -5.921 -4.721 1.00 0.45 H new ATOM 0 HH22 ARG A 88 6.804 -6.335 -4.710 1.00 0.45 H new ATOM 1394 N THR A 89 1.996 -8.953 2.423 1.00 3.03 N ATOM 1395 CA THR A 89 1.915 -10.353 2.820 1.00 13.25 C ATOM 1396 C THR A 89 0.470 -10.773 3.057 1.00 1.11 C ATOM 1397 O THR A 89 0.069 -11.882 2.701 1.00 50.40 O ATOM 1398 CB THR A 89 2.733 -10.623 4.098 1.00 2.30 C ATOM 1399 OG1 THR A 89 3.260 -11.953 4.071 1.00 44.22 O ATOM 1400 CG2 THR A 89 1.873 -10.438 5.338 1.00 33.25 C ATOM 0 H THR A 89 2.431 -8.343 3.115 1.00 3.03 H new ATOM 0 HA THR A 89 2.332 -10.939 2.001 1.00 13.25 H new ATOM 0 HB THR A 89 3.555 -9.908 4.135 1.00 2.30 H new ATOM 0 HG1 THR A 89 3.780 -12.116 4.886 1.00 44.22 H new ATOM 0 HG21 THR A 89 2.471 -10.634 6.228 1.00 33.25 H new ATOM 0 HG22 THR A 89 1.497 -9.415 5.371 1.00 33.25 H new ATOM 0 HG23 THR A 89 1.033 -11.132 5.305 1.00 33.25 H new ATOM 1408 N ARG A 90 -0.310 -9.881 3.661 1.00 62.41 N ATOM 1409 CA ARG A 90 -1.712 -10.162 3.947 1.00 43.34 C ATOM 1410 C ARG A 90 -2.466 -10.519 2.668 1.00 42.12 C ATOM 1411 O ARG A 90 -3.252 -11.468 2.644 1.00 10.43 O ATOM 1412 CB ARG A 90 -2.369 -8.954 4.617 1.00 2.12 C ATOM 1413 CG ARG A 90 -2.638 -9.153 6.101 1.00 62.35 C ATOM 1414 CD ARG A 90 -1.347 -9.333 6.882 1.00 63.44 C ATOM 1415 NE ARG A 90 -1.241 -8.386 7.989 1.00 1.43 N ATOM 1416 CZ ARG A 90 -0.162 -8.268 8.755 1.00 42.14 C ATOM 1417 NH1 ARG A 90 0.898 -9.033 8.535 1.00 73.45 N ATOM 1418 NH2 ARG A 90 -0.141 -7.382 9.742 1.00 12.42 N ATOM 0 H ARG A 90 0.005 -8.959 3.961 1.00 62.41 H new ATOM 0 HA ARG A 90 -1.755 -11.014 4.625 1.00 43.34 H new ATOM 0 HB2 ARG A 90 -1.727 -8.083 4.486 1.00 2.12 H new ATOM 0 HB3 ARG A 90 -3.310 -8.736 4.112 1.00 2.12 H new ATOM 0 HG2 ARG A 90 -3.184 -8.294 6.491 1.00 62.35 H new ATOM 0 HG3 ARG A 90 -3.275 -10.026 6.242 1.00 62.35 H new ATOM 0 HD2 ARG A 90 -1.296 -10.351 7.269 1.00 63.44 H new ATOM 0 HD3 ARG A 90 -0.497 -9.204 6.212 1.00 63.44 H new ATOM 0 HE ARG A 90 -2.039 -7.782 8.185 1.00 1.43 H new ATOM 0 HH11 ARG A 90 0.887 -9.714 7.776 1.00 73.45 H new ATOM 0 HH12 ARG A 90 1.725 -8.940 9.125 1.00 73.45 H new ATOM 0 HH21 ARG A 90 -0.954 -6.790 9.914 1.00 12.42 H new ATOM 0 HH22 ARG A 90 0.688 -7.292 10.329 1.00 12.42 H new ATOM 1432 N LEU A 91 -2.220 -9.756 1.610 1.00 5.52 N ATOM 1433 CA LEU A 91 -2.876 -9.991 0.328 1.00 33.02 C ATOM 1434 C LEU A 91 -2.378 -11.284 -0.308 1.00 42.13 C ATOM 1435 O LEU A 91 -3.089 -11.917 -1.088 1.00 4.34 O ATOM 1436 CB LEU A 91 -2.627 -8.814 -0.619 1.00 55.20 C ATOM 1437 CG LEU A 91 -3.003 -9.041 -2.083 1.00 11.41 C ATOM 1438 CD1 LEU A 91 -4.500 -9.270 -2.222 1.00 21.21 C ATOM 1439 CD2 LEU A 91 -2.560 -7.860 -2.935 1.00 64.04 C ATOM 0 H LEU A 91 -1.571 -8.969 1.614 1.00 5.52 H new ATOM 0 HA LEU A 91 -3.947 -10.084 0.507 1.00 33.02 H new ATOM 0 HB2 LEU A 91 -3.184 -7.953 -0.251 1.00 55.20 H new ATOM 0 HB3 LEU A 91 -1.570 -8.553 -0.572 1.00 55.20 H new ATOM 0 HG LEU A 91 -2.487 -9.934 -2.437 1.00 11.41 H new ATOM 0 HD11 LEU A 91 -4.748 -9.430 -3.271 1.00 21.21 H new ATOM 0 HD12 LEU A 91 -4.789 -10.147 -1.643 1.00 21.21 H new ATOM 0 HD13 LEU A 91 -5.038 -8.397 -1.851 1.00 21.21 H new ATOM 0 HD21 LEU A 91 -2.835 -8.038 -3.975 1.00 64.04 H new ATOM 0 HD22 LEU A 91 -3.048 -6.952 -2.580 1.00 64.04 H new ATOM 0 HD23 LEU A 91 -1.479 -7.743 -2.861 1.00 64.04 H new ATOM 1451 N GLU A 92 -1.153 -11.672 0.032 1.00 2.02 N ATOM 1452 CA GLU A 92 -0.562 -12.893 -0.507 1.00 3.33 C ATOM 1453 C GLU A 92 -1.182 -14.127 0.139 1.00 64.24 C ATOM 1454 O GLU A 92 -1.764 -14.970 -0.545 1.00 14.01 O ATOM 1455 CB GLU A 92 0.952 -12.891 -0.285 1.00 34.40 C ATOM 1456 CG GLU A 92 1.735 -12.267 -1.426 1.00 10.41 C ATOM 1457 CD GLU A 92 2.050 -13.258 -2.530 1.00 71.31 C ATOM 1458 OE1 GLU A 92 3.198 -13.748 -2.577 1.00 0.21 O ATOM 1459 OE2 GLU A 92 1.149 -13.544 -3.346 1.00 32.33 O ATOM 0 H GLU A 92 -0.551 -11.160 0.677 1.00 2.02 H new ATOM 0 HA GLU A 92 -0.765 -12.925 -1.577 1.00 3.33 H new ATOM 0 HB2 GLU A 92 1.175 -12.351 0.635 1.00 34.40 H new ATOM 0 HB3 GLU A 92 1.291 -13.917 -0.142 1.00 34.40 H new ATOM 0 HG2 GLU A 92 1.165 -11.436 -1.841 1.00 10.41 H new ATOM 0 HG3 GLU A 92 2.666 -11.853 -1.039 1.00 10.41 H new ATOM 1467 N ILE A 93 -1.051 -14.228 1.457 1.00 2.02 N ATOM 1468 CA ILE A 93 -1.598 -15.360 2.194 1.00 43.44 C ATOM 1469 C ILE A 93 -3.067 -15.585 1.846 1.00 31.14 C ATOM 1470 O ILE A 93 -3.617 -16.659 2.093 1.00 31.03 O ATOM 1471 CB ILE A 93 -1.468 -15.158 3.714 1.00 14.14 C ATOM 1472 CG1 ILE A 93 0.003 -15.020 4.109 1.00 60.33 C ATOM 1473 CG2 ILE A 93 -2.117 -16.314 4.461 1.00 24.14 C ATOM 1474 CD1 ILE A 93 0.211 -14.329 5.438 1.00 2.02 C ATOM 0 H ILE A 93 -0.571 -13.540 2.037 1.00 2.02 H new ATOM 0 HA ILE A 93 -1.019 -16.236 1.901 1.00 43.44 H new ATOM 0 HB ILE A 93 -1.986 -14.239 3.988 1.00 14.14 H new ATOM 0 HG12 ILE A 93 0.454 -16.011 4.150 1.00 60.33 H new ATOM 0 HG13 ILE A 93 0.528 -14.463 3.333 1.00 60.33 H new ATOM 0 HG21 ILE A 93 -2.016 -16.156 5.535 1.00 24.14 H new ATOM 0 HG22 ILE A 93 -3.174 -16.368 4.200 1.00 24.14 H new ATOM 0 HG23 ILE A 93 -1.626 -17.247 4.184 1.00 24.14 H new ATOM 0 HD11 ILE A 93 1.278 -14.267 5.653 1.00 2.02 H new ATOM 0 HD12 ILE A 93 -0.210 -13.324 5.396 1.00 2.02 H new ATOM 0 HD13 ILE A 93 -0.285 -14.897 6.225 1.00 2.02 H new ATOM 1486 N LEU A 94 -3.694 -14.567 1.269 1.00 64.42 N ATOM 1487 CA LEU A 94 -5.099 -14.652 0.884 1.00 61.51 C ATOM 1488 C LEU A 94 -5.257 -15.400 -0.436 1.00 23.15 C ATOM 1489 O LEU A 94 -6.246 -16.101 -0.648 1.00 42.42 O ATOM 1490 CB LEU A 94 -5.701 -13.251 0.764 1.00 60.43 C ATOM 1491 CG LEU A 94 -6.218 -12.630 2.063 1.00 51.24 C ATOM 1492 CD1 LEU A 94 -6.174 -11.113 1.983 1.00 22.01 C ATOM 1493 CD2 LEU A 94 -7.632 -13.110 2.358 1.00 50.41 C ATOM 0 H LEU A 94 -3.252 -13.672 1.057 1.00 64.42 H new ATOM 0 HA LEU A 94 -5.630 -15.204 1.660 1.00 61.51 H new ATOM 0 HB2 LEU A 94 -4.946 -12.587 0.343 1.00 60.43 H new ATOM 0 HB3 LEU A 94 -6.524 -13.291 0.051 1.00 60.43 H new ATOM 0 HG LEU A 94 -5.570 -12.949 2.879 1.00 51.24 H new ATOM 0 HD11 LEU A 94 -6.545 -10.689 2.916 1.00 22.01 H new ATOM 0 HD12 LEU A 94 -5.147 -10.787 1.820 1.00 22.01 H new ATOM 0 HD13 LEU A 94 -6.798 -10.774 1.156 1.00 22.01 H new ATOM 0 HD21 LEU A 94 -7.984 -12.658 3.286 1.00 50.41 H new ATOM 0 HD22 LEU A 94 -8.292 -12.821 1.540 1.00 50.41 H new ATOM 0 HD23 LEU A 94 -7.634 -14.195 2.460 1.00 50.41 H new ATOM 1505 N GLU A 95 -4.274 -15.248 -1.318 1.00 21.22 N ATOM 1506 CA GLU A 95 -4.304 -15.911 -2.617 1.00 51.03 C ATOM 1507 C GLU A 95 -3.579 -17.252 -2.560 1.00 71.30 C ATOM 1508 O GLU A 95 -3.889 -18.172 -3.317 1.00 43.23 O ATOM 1509 CB GLU A 95 -3.668 -15.019 -3.685 1.00 12.15 C ATOM 1510 CG GLU A 95 -4.245 -13.614 -3.728 1.00 51.34 C ATOM 1511 CD GLU A 95 -3.329 -12.628 -4.424 1.00 23.03 C ATOM 1512 OE1 GLU A 95 -3.775 -11.492 -4.694 1.00 62.55 O ATOM 1513 OE2 GLU A 95 -2.165 -12.990 -4.698 1.00 44.34 O ATOM 0 H GLU A 95 -3.448 -14.672 -1.157 1.00 21.22 H new ATOM 0 HA GLU A 95 -5.346 -16.092 -2.880 1.00 51.03 H new ATOM 0 HB2 GLU A 95 -2.595 -14.957 -3.502 1.00 12.15 H new ATOM 0 HB3 GLU A 95 -3.798 -15.486 -4.661 1.00 12.15 H new ATOM 0 HG2 GLU A 95 -5.206 -13.636 -4.241 1.00 51.34 H new ATOM 0 HG3 GLU A 95 -4.435 -13.272 -2.711 1.00 51.34 H new ATOM 1521 N LYS A 96 -2.610 -17.357 -1.657 1.00 54.42 N ATOM 1522 CA LYS A 96 -1.839 -18.584 -1.499 1.00 74.11 C ATOM 1523 C LYS A 96 -2.567 -19.570 -0.592 1.00 41.01 C ATOM 1524 O LYS A 96 -2.299 -20.771 -0.622 1.00 72.31 O ATOM 1525 CB LYS A 96 -0.456 -18.271 -0.924 1.00 52.23 C ATOM 1526 CG LYS A 96 -0.403 -18.314 0.593 1.00 43.34 C ATOM 1527 CD LYS A 96 0.161 -19.632 1.094 1.00 70.41 C ATOM 1528 CE LYS A 96 0.451 -19.582 2.586 1.00 35.40 C ATOM 1529 NZ LYS A 96 -0.022 -20.810 3.284 1.00 61.44 N ATOM 0 H LYS A 96 -2.340 -16.606 -1.022 1.00 54.42 H new ATOM 0 HA LYS A 96 -1.722 -19.040 -2.482 1.00 74.11 H new ATOM 0 HB2 LYS A 96 0.264 -18.984 -1.324 1.00 52.23 H new ATOM 0 HB3 LYS A 96 -0.147 -17.282 -1.262 1.00 52.23 H new ATOM 0 HG2 LYS A 96 0.211 -17.492 0.960 1.00 43.34 H new ATOM 0 HG3 LYS A 96 -1.405 -18.169 0.997 1.00 43.34 H new ATOM 0 HD2 LYS A 96 -0.547 -20.434 0.886 1.00 70.41 H new ATOM 0 HD3 LYS A 96 1.077 -19.867 0.552 1.00 70.41 H new ATOM 0 HE2 LYS A 96 1.523 -19.465 2.744 1.00 35.40 H new ATOM 0 HE3 LYS A 96 -0.033 -18.708 3.021 1.00 35.40 H new ATOM 0 HZ1 LYS A 96 0.194 -20.738 4.299 1.00 61.44 H new ATOM 0 HZ2 LYS A 96 -1.049 -20.909 3.155 1.00 61.44 H new ATOM 0 HZ3 LYS A 96 0.459 -21.642 2.886 1.00 61.44 H new ATOM 1543 N GLY A 97 -3.491 -19.056 0.214 1.00 23.20 N ATOM 1544 CA GLY A 97 -4.245 -19.906 1.118 1.00 23.42 C ATOM 1545 C GLY A 97 -5.729 -19.897 0.819 1.00 15.53 C ATOM 1546 O GLY A 97 -6.385 -20.939 0.858 1.00 73.43 O ATOM 0 H GLY A 97 -3.731 -18.066 0.257 1.00 23.20 H new ATOM 0 HA2 GLY A 97 -3.870 -20.927 1.049 1.00 23.42 H new ATOM 0 HA3 GLY A 97 -4.082 -19.575 2.144 1.00 23.42 H new ATOM 1550 N LEU A 98 -6.265 -18.718 0.524 1.00 42.02 N ATOM 1551 CA LEU A 98 -7.685 -18.576 0.218 1.00 31.22 C ATOM 1552 C LEU A 98 -8.522 -19.523 1.073 1.00 21.10 C ATOM 1553 O LEU A 98 -9.516 -20.079 0.608 1.00 65.01 O ATOM 1554 CB LEU A 98 -7.938 -18.850 -1.265 1.00 2.11 C ATOM 1555 CG LEU A 98 -9.249 -18.307 -1.833 1.00 42.04 C ATOM 1556 CD1 LEU A 98 -8.988 -17.105 -2.727 1.00 61.32 C ATOM 1557 CD2 LEU A 98 -9.988 -19.395 -2.601 1.00 21.13 C ATOM 0 H LEU A 98 -5.738 -17.846 0.490 1.00 42.02 H new ATOM 0 HA LEU A 98 -7.981 -17.552 0.446 1.00 31.22 H new ATOM 0 HB2 LEU A 98 -7.114 -18.426 -1.838 1.00 2.11 H new ATOM 0 HB3 LEU A 98 -7.915 -19.928 -1.424 1.00 2.11 H new ATOM 0 HG LEU A 98 -9.877 -17.985 -1.002 1.00 42.04 H new ATOM 0 HD11 LEU A 98 -9.933 -16.733 -3.122 1.00 61.32 H new ATOM 0 HD12 LEU A 98 -8.502 -16.320 -2.148 1.00 61.32 H new ATOM 0 HD13 LEU A 98 -8.341 -17.400 -3.553 1.00 61.32 H new ATOM 0 HD21 LEU A 98 -10.919 -18.991 -2.999 1.00 21.13 H new ATOM 0 HD22 LEU A 98 -9.365 -19.747 -3.423 1.00 21.13 H new ATOM 0 HD23 LEU A 98 -10.210 -20.226 -1.932 1.00 21.13 H new ATOM 1569 N ALA A 99 -8.113 -19.700 2.325 1.00 61.12 N ATOM 1570 CA ALA A 99 -8.828 -20.577 3.244 1.00 23.14 C ATOM 1571 C ALA A 99 -8.261 -20.470 4.655 1.00 50.22 C ATOM 1572 O ALA A 99 -8.019 -21.481 5.317 1.00 15.22 O ATOM 1573 CB ALA A 99 -8.767 -22.017 2.756 1.00 51.41 C ATOM 0 H ALA A 99 -7.291 -19.248 2.726 1.00 61.12 H new ATOM 0 HA ALA A 99 -9.870 -20.260 3.274 1.00 23.14 H new ATOM 0 HB1 ALA A 99 -9.305 -22.660 3.452 1.00 51.41 H new ATOM 0 HB2 ALA A 99 -9.225 -22.087 1.769 1.00 51.41 H new ATOM 0 HB3 ALA A 99 -7.727 -22.337 2.696 1.00 51.41 H new ATOM 1579 N THR A 100 -8.048 -19.240 5.112 1.00 74.12 N ATOM 1580 CA THR A 100 -7.508 -19.002 6.445 1.00 4.54 C ATOM 1581 C THR A 100 -8.440 -18.118 7.265 1.00 15.42 C ATOM 1582 O THR A 100 -8.162 -16.938 7.481 1.00 32.41 O ATOM 1583 CB THR A 100 -6.118 -18.341 6.377 1.00 53.31 C ATOM 1584 OG1 THR A 100 -6.203 -17.093 5.680 1.00 50.21 O ATOM 1585 CG2 THR A 100 -5.119 -19.251 5.680 1.00 51.12 C ATOM 0 H THR A 100 -8.241 -18.393 4.578 1.00 74.12 H new ATOM 0 HA THR A 100 -7.416 -19.975 6.928 1.00 4.54 H new ATOM 0 HB THR A 100 -5.774 -18.165 7.396 1.00 53.31 H new ATOM 0 HG1 THR A 100 -6.945 -16.566 6.043 1.00 50.21 H new ATOM 0 HG21 THR A 100 -4.145 -18.763 5.644 1.00 51.12 H new ATOM 0 HG22 THR A 100 -5.035 -20.188 6.230 1.00 51.12 H new ATOM 0 HG23 THR A 100 -5.460 -19.456 4.665 1.00 51.12 H new ATOM 1593 N SER A 101 -9.546 -18.695 7.723 1.00 74.24 N ATOM 1594 CA SER A 101 -10.521 -17.959 8.518 1.00 5.24 C ATOM 1595 C SER A 101 -9.993 -17.707 9.929 1.00 41.13 C ATOM 1596 O SER A 101 -9.420 -18.598 10.557 1.00 61.22 O ATOM 1597 CB SER A 101 -11.841 -18.727 8.586 1.00 55.45 C ATOM 1598 OG SER A 101 -12.937 -17.844 8.749 1.00 54.42 O ATOM 0 H SER A 101 -9.789 -19.671 7.557 1.00 74.24 H new ATOM 0 HA SER A 101 -10.694 -16.997 8.035 1.00 5.24 H new ATOM 0 HB2 SER A 101 -11.973 -19.311 7.675 1.00 55.45 H new ATOM 0 HB3 SER A 101 -11.812 -19.433 9.416 1.00 55.45 H new ATOM 0 HG SER A 101 -13.769 -18.360 8.788 1.00 54.42 H new ATOM 1604 N LEU A 102 -10.192 -16.489 10.419 1.00 34.41 N ATOM 1605 CA LEU A 102 -9.737 -16.120 11.755 1.00 70.41 C ATOM 1606 C LEU A 102 -10.737 -16.568 12.815 1.00 72.44 C ATOM 1607 O LEU A 102 -11.916 -16.223 12.755 1.00 44.40 O ATOM 1608 CB LEU A 102 -9.527 -14.607 11.843 1.00 73.43 C ATOM 1609 CG LEU A 102 -9.243 -14.049 13.239 1.00 4.14 C ATOM 1610 CD1 LEU A 102 -7.885 -14.519 13.736 1.00 62.12 C ATOM 1611 CD2 LEU A 102 -9.313 -12.529 13.228 1.00 34.13 C ATOM 0 H LEU A 102 -10.665 -15.741 9.912 1.00 34.41 H new ATOM 0 HA LEU A 102 -8.789 -16.625 11.941 1.00 70.41 H new ATOM 0 HB2 LEU A 102 -8.697 -14.337 11.190 1.00 73.43 H new ATOM 0 HB3 LEU A 102 -10.416 -14.113 11.450 1.00 73.43 H new ATOM 0 HG LEU A 102 -10.005 -14.424 13.922 1.00 4.14 H new ATOM 0 HD11 LEU A 102 -7.701 -14.112 14.730 1.00 62.12 H new ATOM 0 HD12 LEU A 102 -7.871 -15.608 13.781 1.00 62.12 H new ATOM 0 HD13 LEU A 102 -7.108 -14.174 13.053 1.00 62.12 H new ATOM 0 HD21 LEU A 102 -9.109 -12.148 14.229 1.00 34.13 H new ATOM 0 HD22 LEU A 102 -8.572 -12.136 12.532 1.00 34.13 H new ATOM 0 HD23 LEU A 102 -10.308 -12.213 12.916 1.00 34.13 H new ATOM 1623 N GLN A 103 -10.257 -17.340 13.786 1.00 12.22 N ATOM 1624 CA GLN A 103 -11.111 -17.834 14.860 1.00 24.24 C ATOM 1625 C GLN A 103 -10.590 -17.382 16.221 1.00 31.13 C ATOM 1626 O GLN A 103 -9.384 -17.390 16.469 1.00 43.12 O ATOM 1627 CB GLN A 103 -11.193 -19.360 14.814 1.00 23.50 C ATOM 1628 CG GLN A 103 -11.648 -19.903 13.469 1.00 61.22 C ATOM 1629 CD GLN A 103 -12.978 -20.630 13.553 1.00 22.35 C ATOM 1630 OE1 GLN A 103 -13.935 -20.129 14.142 1.00 23.43 O ATOM 1631 NE2 GLN A 103 -13.040 -21.818 12.963 1.00 43.42 N ATOM 0 H GLN A 103 -9.283 -17.636 13.851 1.00 12.22 H new ATOM 0 HA GLN A 103 -12.109 -17.419 14.717 1.00 24.24 H new ATOM 0 HB2 GLN A 103 -10.214 -19.776 15.052 1.00 23.50 H new ATOM 0 HB3 GLN A 103 -11.881 -19.702 15.587 1.00 23.50 H new ATOM 0 HG2 GLN A 103 -11.732 -19.080 12.759 1.00 61.22 H new ATOM 0 HG3 GLN A 103 -10.890 -20.583 13.081 1.00 61.22 H new ATOM 0 HE21 GLN A 103 -12.221 -22.194 12.486 1.00 43.42 H new ATOM 0 HE22 GLN A 103 -13.907 -22.355 12.987 1.00 43.42 H new ATOM 1640 N ASN A 104 -11.506 -16.989 17.100 1.00 12.34 N ATOM 1641 CA ASN A 104 -11.139 -16.533 18.435 1.00 21.05 C ATOM 1642 C ASN A 104 -12.213 -16.906 19.451 1.00 34.45 C ATOM 1643 O ASN A 104 -13.399 -16.967 19.124 1.00 32.23 O ATOM 1644 CB ASN A 104 -10.922 -15.019 18.438 1.00 2.11 C ATOM 1645 CG ASN A 104 -12.219 -14.248 18.279 1.00 24.34 C ATOM 1646 OD1 ASN A 104 -12.786 -14.184 17.189 1.00 73.14 O ATOM 1647 ND2 ASN A 104 -12.693 -13.657 19.370 1.00 75.21 N ATOM 0 H ASN A 104 -12.508 -16.977 16.911 1.00 12.34 H new ATOM 0 HA ASN A 104 -10.209 -17.027 18.718 1.00 21.05 H new ATOM 0 HB2 ASN A 104 -10.440 -14.726 19.371 1.00 2.11 H new ATOM 0 HB3 ASN A 104 -10.242 -14.751 17.630 1.00 2.11 H new ATOM 0 HD21 ASN A 104 -13.561 -13.123 19.325 1.00 75.21 H new ATOM 0 HD22 ASN A 104 -12.189 -13.737 20.253 1.00 75.21 H new ATOM 1654 N ASP A 105 -11.790 -17.155 20.686 1.00 41.23 N ATOM 1655 CA ASP A 105 -12.716 -17.520 21.752 1.00 52.43 C ATOM 1656 C ASP A 105 -11.963 -17.832 23.042 1.00 12.30 C ATOM 1657 O ASP A 105 -12.156 -18.889 23.646 1.00 1.13 O ATOM 1658 CB ASP A 105 -13.558 -18.727 21.334 1.00 30.03 C ATOM 1659 CG ASP A 105 -12.781 -19.706 20.477 1.00 63.01 C ATOM 1660 OD1 ASP A 105 -13.226 -19.987 19.345 1.00 60.20 O ATOM 1661 OD2 ASP A 105 -11.727 -20.191 20.938 1.00 23.43 O ATOM 0 H ASP A 105 -10.812 -17.111 20.973 1.00 41.23 H new ATOM 0 HA ASP A 105 -13.376 -16.672 21.933 1.00 52.43 H new ATOM 0 HB2 ASP A 105 -13.922 -19.238 22.225 1.00 30.03 H new ATOM 0 HB3 ASP A 105 -14.434 -18.382 20.784 1.00 30.03 H new ATOM 1667 N LEU A 106 -11.104 -16.908 23.459 1.00 50.25 N ATOM 1668 CA LEU A 106 -10.322 -17.084 24.676 1.00 0.20 C ATOM 1669 C LEU A 106 -9.402 -18.295 24.561 1.00 22.41 C ATOM 1670 O LEU A 106 -9.519 -19.250 25.329 1.00 20.24 O ATOM 1671 CB LEU A 106 -11.248 -17.246 25.883 1.00 21.31 C ATOM 1672 CG LEU A 106 -10.764 -16.617 27.191 1.00 63.33 C ATOM 1673 CD1 LEU A 106 -11.933 -16.376 28.131 1.00 54.34 C ATOM 1674 CD2 LEU A 106 -9.718 -17.502 27.852 1.00 71.42 C ATOM 0 H LEU A 106 -10.932 -16.029 22.971 1.00 50.25 H new ATOM 0 HA LEU A 106 -9.707 -16.195 24.815 1.00 0.20 H new ATOM 0 HB2 LEU A 106 -12.217 -16.814 25.633 1.00 21.31 H new ATOM 0 HB3 LEU A 106 -11.408 -18.311 26.053 1.00 21.31 H new ATOM 0 HG LEU A 106 -10.305 -15.655 26.962 1.00 63.33 H new ATOM 0 HD11 LEU A 106 -11.570 -15.928 29.056 1.00 54.34 H new ATOM 0 HD12 LEU A 106 -12.647 -15.702 27.658 1.00 54.34 H new ATOM 0 HD13 LEU A 106 -12.422 -17.324 28.354 1.00 54.34 H new ATOM 0 HD21 LEU A 106 -9.385 -17.040 28.781 1.00 71.42 H new ATOM 0 HD22 LEU A 106 -10.151 -18.479 28.068 1.00 71.42 H new ATOM 0 HD23 LEU A 106 -8.867 -17.623 27.181 1.00 71.42 H new ATOM 1686 N GLN A 107 -8.486 -18.247 23.600 1.00 24.32 N ATOM 1687 CA GLN A 107 -7.544 -19.338 23.386 1.00 74.50 C ATOM 1688 C GLN A 107 -6.111 -18.879 23.635 1.00 71.14 C ATOM 1689 O GLN A 107 -5.208 -19.698 23.804 1.00 75.23 O ATOM 1690 CB GLN A 107 -7.677 -19.884 21.963 1.00 63.23 C ATOM 1691 CG GLN A 107 -7.791 -21.399 21.900 1.00 33.23 C ATOM 1692 CD GLN A 107 -9.001 -21.860 21.113 1.00 72.35 C ATOM 1693 OE1 GLN A 107 -9.956 -22.396 21.678 1.00 72.11 O ATOM 1694 NE2 GLN A 107 -8.968 -21.656 19.801 1.00 54.35 N ATOM 0 H GLN A 107 -8.376 -17.463 22.957 1.00 24.32 H new ATOM 0 HA GLN A 107 -7.780 -20.131 24.096 1.00 74.50 H new ATOM 0 HB2 GLN A 107 -8.556 -19.442 21.494 1.00 63.23 H new ATOM 0 HB3 GLN A 107 -6.812 -19.569 21.380 1.00 63.23 H new ATOM 0 HG2 GLN A 107 -6.889 -21.809 21.446 1.00 33.23 H new ATOM 0 HG3 GLN A 107 -7.847 -21.798 22.913 1.00 33.23 H new ATOM 0 HE21 GLN A 107 -8.157 -21.208 19.375 1.00 54.35 H new ATOM 0 HE22 GLN A 107 -9.754 -21.947 19.220 1.00 54.35 H new ATOM 1703 N GLU A 108 -5.911 -17.566 23.657 1.00 63.02 N ATOM 1704 CA GLU A 108 -4.587 -16.998 23.883 1.00 74.22 C ATOM 1705 C GLU A 108 -4.397 -16.633 25.352 1.00 12.24 C ATOM 1706 O GLU A 108 -4.773 -15.543 25.787 1.00 1.04 O ATOM 1707 CB GLU A 108 -4.380 -15.760 23.008 1.00 52.11 C ATOM 1708 CG GLU A 108 -4.803 -15.961 21.563 1.00 63.25 C ATOM 1709 CD GLU A 108 -3.954 -16.991 20.842 1.00 12.34 C ATOM 1710 OE1 GLU A 108 -2.764 -16.708 20.593 1.00 21.54 O ATOM 1711 OE2 GLU A 108 -4.478 -18.080 20.530 1.00 40.04 O ATOM 0 H GLU A 108 -6.649 -16.875 23.521 1.00 63.02 H new ATOM 0 HA GLU A 108 -3.846 -17.751 23.613 1.00 74.22 H new ATOM 0 HB2 GLU A 108 -4.943 -14.928 23.431 1.00 52.11 H new ATOM 0 HB3 GLU A 108 -3.327 -15.478 23.034 1.00 52.11 H new ATOM 0 HG2 GLU A 108 -5.847 -16.273 21.534 1.00 63.25 H new ATOM 0 HG3 GLU A 108 -4.740 -15.010 21.035 1.00 63.25 H new ATOM 1719 N VAL A 109 -3.812 -17.550 26.115 1.00 63.51 N ATOM 1720 CA VAL A 109 -3.570 -17.326 27.535 1.00 71.04 C ATOM 1721 C VAL A 109 -2.293 -16.524 27.756 1.00 44.31 C ATOM 1722 O VAL A 109 -1.336 -16.610 26.985 1.00 0.23 O ATOM 1723 CB VAL A 109 -3.468 -18.656 28.304 1.00 22.43 C ATOM 1724 CG1 VAL A 109 -4.452 -19.673 27.747 1.00 30.43 C ATOM 1725 CG2 VAL A 109 -2.045 -19.194 28.249 1.00 12.00 C ATOM 0 H VAL A 109 -3.496 -18.457 25.773 1.00 63.51 H new ATOM 0 HA VAL A 109 -4.421 -16.760 27.915 1.00 71.04 H new ATOM 0 HB VAL A 109 -3.724 -18.473 29.347 1.00 22.43 H new ATOM 0 HG11 VAL A 109 -4.365 -20.606 28.303 1.00 30.43 H new ATOM 0 HG12 VAL A 109 -5.467 -19.287 27.842 1.00 30.43 H new ATOM 0 HG13 VAL A 109 -4.230 -19.856 26.695 1.00 30.43 H new ATOM 0 HG21 VAL A 109 -1.990 -20.134 28.797 1.00 12.00 H new ATOM 0 HG22 VAL A 109 -1.760 -19.362 27.211 1.00 12.00 H new ATOM 0 HG23 VAL A 109 -1.365 -18.471 28.700 1.00 12.00 H new ATOM 1735 N PRO A 110 -2.276 -15.723 28.832 1.00 1.23 N ATOM 1736 CA PRO A 110 -1.121 -14.890 29.180 1.00 42.11 C ATOM 1737 C PRO A 110 0.068 -15.717 29.654 1.00 63.12 C ATOM 1738 O PRO A 110 0.100 -16.935 29.477 1.00 31.41 O ATOM 1739 CB PRO A 110 -1.647 -14.011 30.317 1.00 41.32 C ATOM 1740 CG PRO A 110 -2.758 -14.800 30.922 1.00 0.12 C ATOM 1741 CD PRO A 110 -3.381 -15.571 29.792 1.00 71.23 C ATOM 0 HA PRO A 110 -0.752 -14.327 28.323 1.00 42.11 H new ATOM 0 HB2 PRO A 110 -0.867 -13.801 31.048 1.00 41.32 H new ATOM 0 HB3 PRO A 110 -2.001 -13.050 29.943 1.00 41.32 H new ATOM 0 HG2 PRO A 110 -2.384 -15.473 31.694 1.00 0.12 H new ATOM 0 HG3 PRO A 110 -3.488 -14.145 31.397 1.00 0.12 H new ATOM 0 HD2 PRO A 110 -3.759 -16.537 30.126 1.00 71.23 H new ATOM 0 HD3 PRO A 110 -4.222 -15.033 29.354 1.00 71.23 H new ATOM 1749 N SER A 111 1.048 -15.047 30.255 1.00 72.24 N ATOM 1750 CA SER A 111 2.242 -15.721 30.751 1.00 2.23 C ATOM 1751 C SER A 111 2.725 -15.083 32.050 1.00 53.42 C ATOM 1752 O SER A 111 2.672 -13.865 32.214 1.00 44.02 O ATOM 1753 CB SER A 111 3.353 -15.672 29.701 1.00 20.34 C ATOM 1754 OG SER A 111 4.182 -14.537 29.889 1.00 63.12 O ATOM 0 H SER A 111 1.038 -14.039 30.410 1.00 72.24 H new ATOM 0 HA SER A 111 1.986 -16.762 30.951 1.00 2.23 H new ATOM 0 HB2 SER A 111 3.954 -16.579 29.760 1.00 20.34 H new ATOM 0 HB3 SER A 111 2.914 -15.645 28.704 1.00 20.34 H new ATOM 0 HG SER A 111 4.885 -14.529 29.207 1.00 63.12 H new ATOM 1760 N GLY A 112 3.196 -15.917 32.972 1.00 33.11 N ATOM 1761 CA GLY A 112 3.682 -15.418 34.245 1.00 51.02 C ATOM 1762 C GLY A 112 5.192 -15.480 34.355 1.00 70.32 C ATOM 1763 O GLY A 112 5.887 -15.881 33.421 1.00 2.23 O ATOM 0 H GLY A 112 3.250 -16.929 32.860 1.00 33.11 H new ATOM 0 HA2 GLY A 112 3.354 -14.387 34.377 1.00 51.02 H new ATOM 0 HA3 GLY A 112 3.238 -16.000 35.053 1.00 51.02 H new ATOM 1767 N PRO A 113 5.722 -15.076 35.518 1.00 22.02 N ATOM 1768 CA PRO A 113 7.166 -15.077 35.774 1.00 60.24 C ATOM 1769 C PRO A 113 7.732 -16.489 35.894 1.00 40.13 C ATOM 1770 O PRO A 113 7.003 -17.438 36.181 1.00 63.20 O ATOM 1771 CB PRO A 113 7.292 -14.336 37.106 1.00 15.14 C ATOM 1772 CG PRO A 113 5.976 -14.536 37.776 1.00 40.24 C ATOM 1773 CD PRO A 113 4.953 -14.587 36.674 1.00 31.44 C ATOM 0 HA PRO A 113 7.724 -14.615 34.960 1.00 60.24 H new ATOM 0 HB2 PRO A 113 8.108 -14.738 37.707 1.00 15.14 H new ATOM 0 HB3 PRO A 113 7.501 -13.277 36.952 1.00 15.14 H new ATOM 0 HG2 PRO A 113 5.970 -15.458 38.357 1.00 40.24 H new ATOM 0 HG3 PRO A 113 5.763 -13.722 38.469 1.00 40.24 H new ATOM 0 HD2 PRO A 113 4.129 -15.257 36.921 1.00 31.44 H new ATOM 0 HD3 PRO A 113 4.519 -13.605 36.482 1.00 31.44 H new ATOM 1781 N SER A 114 9.036 -16.619 35.672 1.00 24.40 N ATOM 1782 CA SER A 114 9.699 -17.915 35.752 1.00 22.45 C ATOM 1783 C SER A 114 11.144 -17.818 35.268 1.00 41.11 C ATOM 1784 O SER A 114 11.468 -16.996 34.412 1.00 11.14 O ATOM 1785 CB SER A 114 8.941 -18.952 34.923 1.00 42.32 C ATOM 1786 OG SER A 114 9.833 -19.769 34.184 1.00 23.23 O ATOM 0 H SER A 114 9.654 -15.843 35.435 1.00 24.40 H new ATOM 0 HA SER A 114 9.704 -18.228 36.796 1.00 22.45 H new ATOM 0 HB2 SER A 114 8.334 -19.574 35.581 1.00 42.32 H new ATOM 0 HB3 SER A 114 8.257 -18.447 34.241 1.00 42.32 H new ATOM 0 HG SER A 114 9.322 -20.424 33.664 1.00 23.23 H new ATOM 1792 N SER A 115 12.005 -18.663 35.823 1.00 71.11 N ATOM 1793 CA SER A 115 13.416 -18.671 35.452 1.00 63.04 C ATOM 1794 C SER A 115 13.598 -19.182 34.026 1.00 15.25 C ATOM 1795 O SER A 115 12.702 -19.801 33.456 1.00 55.42 O ATOM 1796 CB SER A 115 14.216 -19.541 36.424 1.00 72.01 C ATOM 1797 OG SER A 115 13.381 -20.490 37.064 1.00 34.01 O ATOM 0 H SER A 115 11.751 -19.352 36.531 1.00 71.11 H new ATOM 0 HA SER A 115 13.787 -17.647 35.504 1.00 63.04 H new ATOM 0 HB2 SER A 115 15.011 -20.056 35.886 1.00 72.01 H new ATOM 0 HB3 SER A 115 14.695 -18.910 37.173 1.00 72.01 H new ATOM 0 HG SER A 115 12.972 -20.084 37.857 1.00 34.01 H new ATOM 1803 N GLY A 116 14.769 -18.916 33.455 1.00 4.04 N ATOM 1804 CA GLY A 116 15.051 -19.353 32.101 1.00 65.13 C ATOM 1805 C GLY A 116 16.094 -20.452 32.051 1.00 41.13 C ATOM 1806 O GLY A 116 17.142 -20.351 32.688 1.00 12.22 O ATOM 0 H GLY A 116 15.528 -18.405 33.907 1.00 4.04 H new ATOM 0 HA2 GLY A 116 14.130 -19.709 31.638 1.00 65.13 H new ATOM 0 HA3 GLY A 116 15.395 -18.503 31.513 1.00 65.13 H new TER 1810 GLY A 116