USER MOD reduce.3.24.130724 H: found=0, std=0, add=539, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 539 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 30 GLN : amide:sc= 0.0444 X(o=0.069,f=-0.092) USER MOD Set 1.2: A 32 GLN : amide:sc= 0.0243 X(o=0.069,f=0) USER MOD Set 2.1: A 13 ASN : amide:sc= 1.62 K(o=2.2,f=-0.098) USER MOD Set 2.2: A 61 SER OG : rot 91:sc= 0.606 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -129:sc= 1.45 (180deg=-0.148) USER MOD Single : A 5 TYR OH : rot 130:sc= 0 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= 0.743 K(o=0.74,f=-5.4!) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot -35:sc= 0.657 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -0.0117! C(o=-0.012!,f=-8.9!) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 162:sc= -0.0366 (180deg=-0.367) USER MOD Single : A 35 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 38 SER OG : rot 180:sc= -0.0364 USER MOD Single : A 40 ASN : amide:sc= -0.121 K(o=-0.12,f=-4.6!) USER MOD Single : A 41 SER OG : rot -24:sc= 0.518 USER MOD Single : A 44 SER OG : rot 27:sc= 1.22 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 ASN : amide:sc= 0.656 K(o=0.66,f=-0.42) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.147 K(o=-0.15,f=-1.2) USER MOD Single : A 51 GLN : amide:sc= 0.388 K(o=0.39,f=-0.36) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 130:sc= -2.15! USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 HIS : no HD1:sc= -0.0584 X(o=-0.058,f=0) USER MOD Single : A 66 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 67 HIS : no HE2:sc= -1.54 X(o=-1.5,f=-1.8) USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 69 HIS : no HD1:sc= -0.224 X(o=-0.22,f=-0.012) USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=-0.0034) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.748 -0.023 -26.458 1.00 11.10 N ATOM 2 CA MET A 1 6.599 -0.256 -25.553 1.00 22.30 C ATOM 3 C MET A 1 6.946 -1.329 -24.528 1.00 41.12 C ATOM 4 O MET A 1 8.111 -1.689 -24.378 1.00 5.10 O ATOM 5 CB MET A 1 5.337 -0.654 -26.339 1.00 41.34 C ATOM 6 CG MET A 1 5.483 -1.915 -27.181 1.00 23.51 C ATOM 7 SD MET A 1 6.413 -1.646 -28.702 1.00 20.53 S ATOM 8 CE MET A 1 6.364 -3.287 -29.421 1.00 24.45 C ATOM 0 H1 MET A 1 7.955 0.995 -26.501 1.00 11.10 H new ATOM 0 H2 MET A 1 8.581 -0.531 -26.099 1.00 11.10 H new ATOM 0 H3 MET A 1 7.515 -0.370 -27.411 1.00 11.10 H new ATOM 0 HA MET A 1 6.386 0.678 -25.032 1.00 22.30 H new ATOM 0 HB2 MET A 1 4.517 -0.796 -25.635 1.00 41.34 H new ATOM 0 HB3 MET A 1 5.057 0.172 -26.992 1.00 41.34 H new ATOM 0 HG2 MET A 1 5.980 -2.684 -26.590 1.00 23.51 H new ATOM 0 HG3 MET A 1 4.492 -2.295 -27.430 1.00 23.51 H new ATOM 0 HE1 MET A 1 6.899 -3.284 -30.371 1.00 24.45 H new ATOM 0 HE2 MET A 1 6.835 -3.996 -28.741 1.00 24.45 H new ATOM 0 HE3 MET A 1 5.328 -3.580 -29.589 1.00 24.45 H new ATOM 20 N ILE A 2 5.929 -1.828 -23.825 1.00 1.33 N ATOM 21 CA ILE A 2 6.112 -2.832 -22.774 1.00 23.12 C ATOM 22 C ILE A 2 6.833 -2.195 -21.583 1.00 20.42 C ATOM 23 O ILE A 2 7.871 -2.666 -21.110 1.00 13.22 O ATOM 24 CB ILE A 2 6.867 -4.094 -23.275 1.00 53.02 C ATOM 25 CG1 ILE A 2 6.214 -4.629 -24.557 1.00 64.12 C ATOM 26 CG2 ILE A 2 6.876 -5.182 -22.204 1.00 2.24 C ATOM 27 CD1 ILE A 2 4.760 -5.029 -24.383 1.00 64.15 C ATOM 0 H ILE A 2 4.958 -1.550 -23.966 1.00 1.33 H new ATOM 0 HA ILE A 2 5.125 -3.175 -22.463 1.00 23.12 H new ATOM 0 HB ILE A 2 7.897 -3.811 -23.490 1.00 53.02 H new ATOM 0 HG12 ILE A 2 6.281 -3.867 -25.333 1.00 64.12 H new ATOM 0 HG13 ILE A 2 6.779 -5.492 -24.908 1.00 64.12 H new ATOM 0 HG21 ILE A 2 7.410 -6.056 -22.577 1.00 2.24 H new ATOM 0 HG22 ILE A 2 7.373 -4.808 -21.309 1.00 2.24 H new ATOM 0 HG23 ILE A 2 5.851 -5.460 -21.960 1.00 2.24 H new ATOM 0 HD11 ILE A 2 4.368 -5.397 -25.331 1.00 64.15 H new ATOM 0 HD12 ILE A 2 4.686 -5.814 -23.631 1.00 64.15 H new ATOM 0 HD13 ILE A 2 4.180 -4.163 -24.062 1.00 64.15 H new ATOM 39 N GLY A 3 6.268 -1.086 -21.140 1.00 61.41 N ATOM 40 CA GLY A 3 6.751 -0.378 -19.970 1.00 12.24 C ATOM 41 C GLY A 3 5.685 0.579 -19.507 1.00 14.31 C ATOM 42 O GLY A 3 5.958 1.696 -19.066 1.00 10.03 O ATOM 0 H GLY A 3 5.459 -0.651 -21.583 1.00 61.41 H new ATOM 0 HA2 GLY A 3 6.995 -1.084 -19.176 1.00 12.24 H new ATOM 0 HA3 GLY A 3 7.667 0.163 -20.208 1.00 12.24 H new ATOM 46 N ASP A 4 4.453 0.110 -19.618 1.00 34.14 N ATOM 47 CA ASP A 4 3.281 0.952 -19.476 1.00 4.22 C ATOM 48 C ASP A 4 2.525 0.630 -18.197 1.00 53.23 C ATOM 49 O ASP A 4 1.313 0.420 -18.216 1.00 60.24 O ATOM 50 CB ASP A 4 2.362 0.749 -20.684 1.00 42.22 C ATOM 51 CG ASP A 4 3.035 1.081 -22.002 1.00 43.51 C ATOM 52 OD1 ASP A 4 3.902 0.295 -22.458 1.00 73.21 O ATOM 53 OD2 ASP A 4 2.704 2.129 -22.594 1.00 30.44 O ATOM 0 H ASP A 4 4.239 -0.869 -19.810 1.00 34.14 H new ATOM 0 HA ASP A 4 3.606 1.991 -19.425 1.00 4.22 H new ATOM 0 HB2 ASP A 4 2.023 -0.287 -20.706 1.00 42.22 H new ATOM 0 HB3 ASP A 4 1.475 1.372 -20.568 1.00 42.22 H new ATOM 58 N TYR A 5 3.238 0.588 -17.086 1.00 73.00 N ATOM 59 CA TYR A 5 2.602 0.350 -15.802 1.00 34.11 C ATOM 60 C TYR A 5 1.856 1.611 -15.360 1.00 11.32 C ATOM 61 O TYR A 5 2.458 2.638 -15.046 1.00 31.24 O ATOM 62 CB TYR A 5 3.631 -0.104 -14.747 1.00 53.21 C ATOM 63 CG TYR A 5 4.689 0.924 -14.401 1.00 2.24 C ATOM 64 CD1 TYR A 5 5.754 1.180 -15.255 1.00 3.41 C ATOM 65 CD2 TYR A 5 4.620 1.637 -13.212 1.00 32.22 C ATOM 66 CE1 TYR A 5 6.717 2.119 -14.936 1.00 31.54 C ATOM 67 CE2 TYR A 5 5.576 2.577 -12.887 1.00 71.31 C ATOM 68 CZ TYR A 5 6.621 2.815 -13.750 1.00 63.23 C ATOM 69 OH TYR A 5 7.578 3.746 -13.420 1.00 62.23 O ATOM 0 H TYR A 5 4.249 0.714 -17.046 1.00 73.00 H new ATOM 0 HA TYR A 5 1.880 -0.460 -15.906 1.00 34.11 H new ATOM 0 HB2 TYR A 5 3.099 -0.376 -13.836 1.00 53.21 H new ATOM 0 HB3 TYR A 5 4.126 -1.005 -15.108 1.00 53.21 H new ATOM 0 HD1 TYR A 5 5.831 0.636 -16.185 1.00 3.41 H new ATOM 0 HD2 TYR A 5 3.804 1.453 -12.529 1.00 32.22 H new ATOM 0 HE1 TYR A 5 7.539 2.306 -15.611 1.00 31.54 H new ATOM 0 HE2 TYR A 5 5.504 3.124 -11.959 1.00 71.31 H new ATOM 0 HH TYR A 5 7.143 4.585 -13.160 1.00 62.23 H new ATOM 79 N TYR A 6 0.539 1.549 -15.388 1.00 43.11 N ATOM 80 CA TYR A 6 -0.269 2.695 -15.018 1.00 41.33 C ATOM 81 C TYR A 6 -0.917 2.498 -13.658 1.00 43.41 C ATOM 82 O TYR A 6 -1.987 1.902 -13.542 1.00 70.03 O ATOM 83 CB TYR A 6 -1.323 2.992 -16.089 1.00 42.20 C ATOM 84 CG TYR A 6 -0.783 3.798 -17.252 1.00 34.13 C ATOM 85 CD1 TYR A 6 -0.102 3.187 -18.298 1.00 75.32 C ATOM 86 CD2 TYR A 6 -0.945 5.177 -17.294 1.00 24.15 C ATOM 87 CE1 TYR A 6 0.403 3.928 -19.350 1.00 33.04 C ATOM 88 CE2 TYR A 6 -0.445 5.924 -18.343 1.00 32.43 C ATOM 89 CZ TYR A 6 0.228 5.296 -19.367 1.00 74.23 C ATOM 90 OH TYR A 6 0.731 6.041 -20.410 1.00 15.02 O ATOM 0 H TYR A 6 0.008 0.722 -15.661 1.00 43.11 H new ATOM 0 HA TYR A 6 0.393 3.558 -14.948 1.00 41.33 H new ATOM 0 HB2 TYR A 6 -1.726 2.051 -16.464 1.00 42.20 H new ATOM 0 HB3 TYR A 6 -2.151 3.534 -15.633 1.00 42.20 H new ATOM 0 HD1 TYR A 6 0.035 2.116 -18.289 1.00 75.32 H new ATOM 0 HD2 TYR A 6 -1.471 5.674 -16.492 1.00 24.15 H new ATOM 0 HE1 TYR A 6 0.932 3.438 -20.154 1.00 33.04 H new ATOM 0 HE2 TYR A 6 -0.581 6.995 -18.360 1.00 32.43 H new ATOM 0 HH TYR A 6 0.520 6.987 -20.268 1.00 15.02 H new ATOM 100 N ILE A 7 -0.239 2.988 -12.629 1.00 73.33 N ATOM 101 CA ILE A 7 -0.788 3.009 -11.279 1.00 71.22 C ATOM 102 C ILE A 7 -1.835 4.117 -11.180 1.00 42.30 C ATOM 103 O ILE A 7 -2.702 4.116 -10.307 1.00 0.52 O ATOM 104 CB ILE A 7 0.332 3.222 -10.228 1.00 51.04 C ATOM 105 CG1 ILE A 7 -0.245 3.219 -8.808 1.00 51.33 C ATOM 106 CG2 ILE A 7 1.089 4.517 -10.496 1.00 21.13 C ATOM 107 CD1 ILE A 7 0.798 3.391 -7.723 1.00 53.23 C ATOM 0 H ILE A 7 0.700 3.379 -12.704 1.00 73.33 H new ATOM 0 HA ILE A 7 -1.257 2.047 -11.071 1.00 71.22 H new ATOM 0 HB ILE A 7 1.034 2.393 -10.313 1.00 51.04 H new ATOM 0 HG12 ILE A 7 -0.980 4.020 -8.723 1.00 51.33 H new ATOM 0 HG13 ILE A 7 -0.775 2.281 -8.644 1.00 51.33 H new ATOM 0 HG21 ILE A 7 1.869 4.644 -9.746 1.00 21.13 H new ATOM 0 HG22 ILE A 7 1.542 4.476 -11.487 1.00 21.13 H new ATOM 0 HG23 ILE A 7 0.398 5.359 -10.448 1.00 21.13 H new ATOM 0 HD11 ILE A 7 0.313 3.379 -6.747 1.00 53.23 H new ATOM 0 HD12 ILE A 7 1.520 2.576 -7.780 1.00 53.23 H new ATOM 0 HD13 ILE A 7 1.313 4.342 -7.860 1.00 53.23 H new ATOM 119 N ASN A 8 -1.754 5.043 -12.123 1.00 34.44 N ATOM 120 CA ASN A 8 -2.685 6.157 -12.223 1.00 20.54 C ATOM 121 C ASN A 8 -3.875 5.781 -13.101 1.00 0.04 C ATOM 122 O ASN A 8 -4.545 6.644 -13.670 1.00 41.13 O ATOM 123 CB ASN A 8 -1.976 7.399 -12.789 1.00 71.35 C ATOM 124 CG ASN A 8 -1.244 7.139 -14.100 1.00 21.01 C ATOM 125 OD1 ASN A 8 -0.716 6.049 -14.339 1.00 35.23 O ATOM 126 ND2 ASN A 8 -1.197 8.145 -14.959 1.00 3.35 N ATOM 0 H ASN A 8 -1.035 5.043 -12.846 1.00 34.44 H new ATOM 0 HA ASN A 8 -3.052 6.391 -11.223 1.00 20.54 H new ATOM 0 HB2 ASN A 8 -2.712 8.188 -12.944 1.00 71.35 H new ATOM 0 HB3 ASN A 8 -1.263 7.768 -12.051 1.00 71.35 H new ATOM 0 HD21 ASN A 8 -0.714 8.033 -15.850 1.00 3.35 H new ATOM 0 HD22 ASN A 8 -1.644 9.033 -14.730 1.00 3.35 H new ATOM 133 N ALA A 9 -4.137 4.486 -13.191 1.00 33.22 N ATOM 134 CA ALA A 9 -5.258 3.974 -13.958 1.00 34.11 C ATOM 135 C ALA A 9 -6.348 3.469 -13.018 1.00 2.15 C ATOM 136 O ALA A 9 -6.364 3.812 -11.839 1.00 71.42 O ATOM 137 CB ALA A 9 -4.795 2.861 -14.884 1.00 1.41 C ATOM 0 H ALA A 9 -3.579 3.764 -12.735 1.00 33.22 H new ATOM 0 HA ALA A 9 -5.669 4.780 -14.566 1.00 34.11 H new ATOM 0 HB1 ALA A 9 -5.645 2.485 -15.454 1.00 1.41 H new ATOM 0 HB2 ALA A 9 -4.041 3.248 -15.569 1.00 1.41 H new ATOM 0 HB3 ALA A 9 -4.367 2.051 -14.294 1.00 1.41 H new ATOM 143 N SER A 10 -7.254 2.653 -13.539 1.00 2.11 N ATOM 144 CA SER A 10 -8.332 2.099 -12.731 1.00 65.30 C ATOM 145 C SER A 10 -8.133 0.600 -12.505 1.00 30.14 C ATOM 146 O SER A 10 -9.095 -0.136 -12.285 1.00 75.34 O ATOM 147 CB SER A 10 -9.673 2.355 -13.420 1.00 34.44 C ATOM 148 OG SER A 10 -9.838 3.734 -13.716 1.00 61.23 O ATOM 0 H SER A 10 -7.264 2.360 -14.516 1.00 2.11 H new ATOM 0 HA SER A 10 -8.324 2.590 -11.758 1.00 65.30 H new ATOM 0 HB2 SER A 10 -9.730 1.773 -14.340 1.00 34.44 H new ATOM 0 HB3 SER A 10 -10.486 2.017 -12.778 1.00 34.44 H new ATOM 0 HG SER A 10 -10.702 3.873 -14.158 1.00 61.23 H new ATOM 154 N ALA A 11 -6.882 0.153 -12.534 1.00 0.44 N ATOM 155 CA ALA A 11 -6.587 -1.266 -12.379 1.00 33.33 C ATOM 156 C ALA A 11 -5.306 -1.500 -11.583 1.00 53.54 C ATOM 157 O ALA A 11 -5.348 -2.011 -10.461 1.00 52.54 O ATOM 158 CB ALA A 11 -6.494 -1.939 -13.738 1.00 60.12 C ATOM 0 H ALA A 11 -6.063 0.747 -12.662 1.00 0.44 H new ATOM 0 HA ALA A 11 -7.408 -1.710 -11.816 1.00 33.33 H new ATOM 0 HB1 ALA A 11 -6.273 -2.998 -13.605 1.00 60.12 H new ATOM 0 HB2 ALA A 11 -7.442 -1.829 -14.264 1.00 60.12 H new ATOM 0 HB3 ALA A 11 -5.700 -1.473 -14.321 1.00 60.12 H new ATOM 164 N LEU A 12 -4.167 -1.114 -12.156 1.00 2.21 N ATOM 165 CA LEU A 12 -2.861 -1.388 -11.551 1.00 14.54 C ATOM 166 C LEU A 12 -2.532 -0.381 -10.454 1.00 13.44 C ATOM 167 O LEU A 12 -1.404 0.105 -10.363 1.00 71.04 O ATOM 168 CB LEU A 12 -1.749 -1.365 -12.614 1.00 12.55 C ATOM 169 CG LEU A 12 -1.784 -2.488 -13.659 1.00 63.44 C ATOM 170 CD1 LEU A 12 -2.866 -2.235 -14.699 1.00 51.31 C ATOM 171 CD2 LEU A 12 -0.423 -2.628 -14.325 1.00 11.23 C ATOM 0 H LEU A 12 -4.121 -0.609 -13.041 1.00 2.21 H new ATOM 0 HA LEU A 12 -2.915 -2.382 -11.108 1.00 14.54 H new ATOM 0 HB2 LEU A 12 -1.795 -0.410 -13.137 1.00 12.55 H new ATOM 0 HB3 LEU A 12 -0.787 -1.403 -12.103 1.00 12.55 H new ATOM 0 HG LEU A 12 -2.023 -3.422 -13.150 1.00 63.44 H new ATOM 0 HD11 LEU A 12 -2.868 -3.046 -15.427 1.00 51.31 H new ATOM 0 HD12 LEU A 12 -3.838 -2.185 -14.208 1.00 51.31 H new ATOM 0 HD13 LEU A 12 -2.668 -1.292 -15.208 1.00 51.31 H new ATOM 0 HD21 LEU A 12 -0.460 -3.428 -15.064 1.00 11.23 H new ATOM 0 HD22 LEU A 12 -0.160 -1.691 -14.817 1.00 11.23 H new ATOM 0 HD23 LEU A 12 0.328 -2.865 -13.572 1.00 11.23 H new ATOM 183 N ASN A 13 -3.504 -0.102 -9.599 1.00 64.03 N ATOM 184 CA ASN A 13 -3.336 0.912 -8.568 1.00 41.45 C ATOM 185 C ASN A 13 -2.452 0.417 -7.437 1.00 20.34 C ATOM 186 O ASN A 13 -1.735 1.192 -6.807 1.00 50.24 O ATOM 187 CB ASN A 13 -4.686 1.357 -8.004 1.00 24.42 C ATOM 188 CG ASN A 13 -5.592 1.945 -9.063 1.00 51.42 C ATOM 189 OD1 ASN A 13 -6.436 1.250 -9.630 1.00 5.05 O ATOM 190 ND2 ASN A 13 -5.414 3.224 -9.347 1.00 23.01 N ATOM 0 H ASN A 13 -4.415 -0.561 -9.598 1.00 64.03 H new ATOM 0 HA ASN A 13 -2.851 1.766 -9.041 1.00 41.45 H new ATOM 0 HB2 ASN A 13 -5.181 0.504 -7.540 1.00 24.42 H new ATOM 0 HB3 ASN A 13 -4.522 2.096 -7.220 1.00 24.42 H new ATOM 0 HD21 ASN A 13 -5.988 3.673 -10.061 1.00 23.01 H new ATOM 0 HD22 ASN A 13 -4.703 3.762 -8.852 1.00 23.01 H new ATOM 197 N VAL A 14 -2.495 -0.878 -7.184 1.00 32.50 N ATOM 198 CA VAL A 14 -1.723 -1.463 -6.102 1.00 35.22 C ATOM 199 C VAL A 14 -0.389 -2.012 -6.597 1.00 40.41 C ATOM 200 O VAL A 14 0.147 -2.953 -6.028 1.00 61.44 O ATOM 201 CB VAL A 14 -2.511 -2.583 -5.386 1.00 74.40 C ATOM 202 CG1 VAL A 14 -3.447 -1.992 -4.345 1.00 12.14 C ATOM 203 CG2 VAL A 14 -3.299 -3.417 -6.381 1.00 34.51 C ATOM 0 H VAL A 14 -3.056 -1.545 -7.713 1.00 32.50 H new ATOM 0 HA VAL A 14 -1.527 -0.662 -5.390 1.00 35.22 H new ATOM 0 HB VAL A 14 -1.792 -3.233 -4.887 1.00 74.40 H new ATOM 0 HG11 VAL A 14 -3.994 -2.794 -3.850 1.00 12.14 H new ATOM 0 HG12 VAL A 14 -2.867 -1.439 -3.606 1.00 12.14 H new ATOM 0 HG13 VAL A 14 -4.152 -1.318 -4.831 1.00 12.14 H new ATOM 0 HG21 VAL A 14 -3.844 -4.198 -5.850 1.00 34.51 H new ATOM 0 HG22 VAL A 14 -4.005 -2.779 -6.912 1.00 34.51 H new ATOM 0 HG23 VAL A 14 -2.614 -3.874 -7.095 1.00 34.51 H new ATOM 213 N ARG A 15 0.171 -1.397 -7.630 1.00 21.32 N ATOM 214 CA ARG A 15 1.401 -1.903 -8.243 1.00 73.14 C ATOM 215 C ARG A 15 2.639 -1.488 -7.441 1.00 63.50 C ATOM 216 O ARG A 15 3.612 -0.989 -8.002 1.00 40.13 O ATOM 217 CB ARG A 15 1.509 -1.409 -9.689 1.00 3.54 C ATOM 218 CG ARG A 15 2.402 -2.275 -10.567 1.00 22.31 C ATOM 219 CD ARG A 15 1.925 -3.718 -10.570 1.00 74.10 C ATOM 220 NE ARG A 15 2.701 -4.572 -11.467 1.00 53.14 N ATOM 221 CZ ARG A 15 2.798 -5.893 -11.323 1.00 31.45 C ATOM 222 NH1 ARG A 15 2.276 -6.483 -10.257 1.00 21.22 N ATOM 223 NH2 ARG A 15 3.445 -6.625 -12.221 1.00 11.14 N ATOM 0 H ARG A 15 -0.201 -0.551 -8.062 1.00 21.32 H new ATOM 0 HA ARG A 15 1.356 -2.992 -8.241 1.00 73.14 H new ATOM 0 HB2 ARG A 15 0.511 -1.372 -10.126 1.00 3.54 H new ATOM 0 HB3 ARG A 15 1.895 -0.390 -9.687 1.00 3.54 H new ATOM 0 HG2 ARG A 15 2.404 -1.886 -11.585 1.00 22.31 H new ATOM 0 HG3 ARG A 15 3.429 -2.228 -10.206 1.00 22.31 H new ATOM 0 HD2 ARG A 15 1.983 -4.116 -9.557 1.00 74.10 H new ATOM 0 HD3 ARG A 15 0.876 -3.748 -10.865 1.00 74.10 H new ATOM 0 HE ARG A 15 3.194 -4.133 -12.245 1.00 53.14 H new ATOM 0 HH11 ARG A 15 1.800 -5.926 -9.547 1.00 21.22 H new ATOM 0 HH12 ARG A 15 2.350 -7.494 -10.146 1.00 21.22 H new ATOM 0 HH21 ARG A 15 3.874 -6.177 -13.031 1.00 11.14 H new ATOM 0 HH22 ARG A 15 3.514 -7.636 -12.101 1.00 11.14 H new ATOM 237 N SER A 16 2.571 -1.691 -6.124 1.00 61.11 N ATOM 238 CA SER A 16 3.695 -1.462 -5.211 1.00 62.01 C ATOM 239 C SER A 16 4.113 0.016 -5.147 1.00 12.41 C ATOM 240 O SER A 16 5.080 0.361 -4.466 1.00 2.04 O ATOM 241 CB SER A 16 4.888 -2.335 -5.614 1.00 60.43 C ATOM 242 OG SER A 16 5.916 -2.271 -4.643 1.00 42.43 O ATOM 0 H SER A 16 1.727 -2.022 -5.656 1.00 61.11 H new ATOM 0 HA SER A 16 3.359 -1.741 -4.212 1.00 62.01 H new ATOM 0 HB2 SER A 16 4.562 -3.368 -5.736 1.00 60.43 H new ATOM 0 HB3 SER A 16 5.274 -2.006 -6.579 1.00 60.43 H new ATOM 0 HG SER A 16 5.952 -1.368 -4.264 1.00 42.43 H new ATOM 248 N GLY A 17 3.370 0.884 -5.819 1.00 63.41 N ATOM 249 CA GLY A 17 3.730 2.286 -5.851 1.00 40.34 C ATOM 250 C GLY A 17 4.857 2.547 -6.828 1.00 35.12 C ATOM 251 O GLY A 17 6.016 2.655 -6.429 1.00 63.41 O ATOM 0 H GLY A 17 2.527 0.643 -6.341 1.00 63.41 H new ATOM 0 HA2 GLY A 17 2.860 2.880 -6.131 1.00 40.34 H new ATOM 0 HA3 GLY A 17 4.029 2.609 -4.854 1.00 40.34 H new ATOM 255 N GLU A 18 4.500 2.642 -8.112 1.00 11.35 N ATOM 256 CA GLU A 18 5.468 2.815 -9.197 1.00 21.45 C ATOM 257 C GLU A 18 6.262 1.517 -9.395 1.00 62.22 C ATOM 258 O GLU A 18 6.087 0.555 -8.647 1.00 15.55 O ATOM 259 CB GLU A 18 6.401 4.010 -8.922 1.00 24.04 C ATOM 260 CG GLU A 18 7.226 4.447 -10.122 1.00 1.34 C ATOM 261 CD GLU A 18 8.068 5.672 -9.841 1.00 51.11 C ATOM 262 OE1 GLU A 18 9.144 5.534 -9.217 1.00 3.14 O ATOM 263 OE2 GLU A 18 7.662 6.780 -10.248 1.00 60.13 O ATOM 0 H GLU A 18 3.531 2.601 -8.428 1.00 11.35 H new ATOM 0 HA GLU A 18 4.929 3.035 -10.119 1.00 21.45 H new ATOM 0 HB2 GLU A 18 5.801 4.854 -8.581 1.00 24.04 H new ATOM 0 HB3 GLU A 18 7.076 3.749 -8.107 1.00 24.04 H new ATOM 0 HG2 GLU A 18 7.876 3.627 -10.428 1.00 1.34 H new ATOM 0 HG3 GLU A 18 6.559 4.654 -10.959 1.00 1.34 H new ATOM 270 N GLY A 19 7.125 1.485 -10.401 1.00 51.42 N ATOM 271 CA GLY A 19 7.850 0.271 -10.719 1.00 21.31 C ATOM 272 C GLY A 19 9.027 0.030 -9.798 1.00 63.44 C ATOM 273 O GLY A 19 10.170 -0.053 -10.249 1.00 63.25 O ATOM 0 H GLY A 19 7.336 2.280 -11.004 1.00 51.42 H new ATOM 0 HA2 GLY A 19 7.170 -0.579 -10.661 1.00 21.31 H new ATOM 0 HA3 GLY A 19 8.205 0.325 -11.748 1.00 21.31 H new ATOM 277 N THR A 20 8.758 -0.076 -8.509 1.00 62.41 N ATOM 278 CA THR A 20 9.802 -0.364 -7.544 1.00 62.23 C ATOM 279 C THR A 20 9.882 -1.870 -7.288 1.00 12.21 C ATOM 280 O THR A 20 10.963 -2.422 -7.062 1.00 65.34 O ATOM 281 CB THR A 20 9.584 0.416 -6.222 1.00 50.24 C ATOM 282 OG1 THR A 20 10.719 0.273 -5.361 1.00 12.33 O ATOM 283 CG2 THR A 20 8.333 -0.048 -5.494 1.00 43.33 C ATOM 0 H THR A 20 7.827 0.033 -8.107 1.00 62.41 H new ATOM 0 HA THR A 20 10.752 -0.031 -7.961 1.00 62.23 H new ATOM 0 HB THR A 20 9.456 1.466 -6.485 1.00 50.24 H new ATOM 0 HG1 THR A 20 10.566 0.773 -4.532 1.00 12.33 H new ATOM 0 HG21 THR A 20 8.215 0.523 -4.573 1.00 43.33 H new ATOM 0 HG22 THR A 20 7.462 0.108 -6.131 1.00 43.33 H new ATOM 0 HG23 THR A 20 8.423 -1.108 -5.255 1.00 43.33 H new ATOM 291 N ASN A 21 8.731 -2.524 -7.350 1.00 14.55 N ATOM 292 CA ASN A 21 8.641 -3.975 -7.260 1.00 23.25 C ATOM 293 C ASN A 21 7.390 -4.421 -7.998 1.00 10.32 C ATOM 294 O ASN A 21 6.390 -3.705 -8.001 1.00 75.13 O ATOM 295 CB ASN A 21 8.585 -4.435 -5.802 1.00 0.01 C ATOM 296 CG ASN A 21 8.688 -5.943 -5.671 1.00 64.23 C ATOM 297 OD1 ASN A 21 7.688 -6.657 -5.777 1.00 63.11 O ATOM 298 ND2 ASN A 21 9.893 -6.440 -5.436 1.00 64.33 N ATOM 0 H ASN A 21 7.829 -2.061 -7.465 1.00 14.55 H new ATOM 0 HA ASN A 21 9.528 -4.421 -7.710 1.00 23.25 H new ATOM 0 HB2 ASN A 21 9.396 -3.968 -5.244 1.00 0.01 H new ATOM 0 HB3 ASN A 21 7.652 -4.096 -5.352 1.00 0.01 H new ATOM 0 HD21 ASN A 21 10.019 -7.447 -5.336 1.00 64.33 H new ATOM 0 HD22 ASN A 21 10.695 -5.815 -5.355 1.00 64.33 H new ATOM 305 N TYR A 22 7.436 -5.575 -8.645 1.00 2.42 N ATOM 306 CA TYR A 22 6.322 -5.980 -9.488 1.00 73.35 C ATOM 307 C TYR A 22 5.730 -7.315 -9.041 1.00 61.25 C ATOM 308 O TYR A 22 4.874 -7.871 -9.726 1.00 62.52 O ATOM 309 CB TYR A 22 6.755 -6.093 -10.959 1.00 63.34 C ATOM 310 CG TYR A 22 7.938 -5.229 -11.366 1.00 61.44 C ATOM 311 CD1 TYR A 22 7.948 -3.846 -11.174 1.00 44.23 C ATOM 312 CD2 TYR A 22 9.053 -5.812 -11.956 1.00 44.21 C ATOM 313 CE1 TYR A 22 9.033 -3.084 -11.560 1.00 11.01 C ATOM 314 CE2 TYR A 22 10.136 -5.052 -12.344 1.00 74.44 C ATOM 315 CZ TYR A 22 10.122 -3.691 -12.146 1.00 12.24 C ATOM 316 OH TYR A 22 11.203 -2.935 -12.530 1.00 15.33 O ATOM 0 H TYR A 22 8.213 -6.234 -8.605 1.00 2.42 H new ATOM 0 HA TYR A 22 5.560 -5.207 -9.390 1.00 73.35 H new ATOM 0 HB2 TYR A 22 7.000 -7.134 -11.167 1.00 63.34 H new ATOM 0 HB3 TYR A 22 5.905 -5.833 -11.590 1.00 63.34 H new ATOM 0 HD1 TYR A 22 7.095 -3.366 -10.717 1.00 44.23 H new ATOM 0 HD2 TYR A 22 9.072 -6.880 -12.114 1.00 44.21 H new ATOM 0 HE1 TYR A 22 9.028 -2.015 -11.403 1.00 11.01 H new ATOM 0 HE2 TYR A 22 10.993 -5.524 -12.802 1.00 74.44 H new ATOM 0 HH TYR A 22 11.885 -3.517 -12.925 1.00 15.33 H new ATOM 326 N ARG A 23 6.179 -7.842 -7.909 1.00 45.30 N ATOM 327 CA ARG A 23 5.731 -9.168 -7.498 1.00 4.22 C ATOM 328 C ARG A 23 4.944 -9.146 -6.187 1.00 41.33 C ATOM 329 O ARG A 23 4.039 -9.962 -5.994 1.00 53.12 O ATOM 330 CB ARG A 23 6.910 -10.131 -7.379 1.00 10.13 C ATOM 331 CG ARG A 23 6.481 -11.586 -7.424 1.00 74.43 C ATOM 332 CD ARG A 23 7.659 -12.533 -7.274 1.00 1.01 C ATOM 333 NE ARG A 23 7.269 -13.917 -7.534 1.00 31.41 N ATOM 334 CZ ARG A 23 7.140 -14.847 -6.590 1.00 63.21 C ATOM 335 NH1 ARG A 23 7.330 -14.537 -5.314 1.00 23.01 N ATOM 336 NH2 ARG A 23 6.795 -16.085 -6.922 1.00 62.32 N ATOM 0 H ARG A 23 6.835 -7.388 -7.274 1.00 45.30 H new ATOM 0 HA ARG A 23 5.056 -9.518 -8.279 1.00 4.22 H new ATOM 0 HB2 ARG A 23 7.615 -9.939 -8.188 1.00 10.13 H new ATOM 0 HB3 ARG A 23 7.438 -9.940 -6.444 1.00 10.13 H new ATOM 0 HG2 ARG A 23 5.760 -11.776 -6.629 1.00 74.43 H new ATOM 0 HG3 ARG A 23 5.974 -11.785 -8.368 1.00 74.43 H new ATOM 0 HD2 ARG A 23 8.452 -12.242 -7.963 1.00 1.01 H new ATOM 0 HD3 ARG A 23 8.067 -12.452 -6.266 1.00 1.01 H new ATOM 0 HE ARG A 23 7.084 -14.188 -8.500 1.00 31.41 H new ATOM 0 HH11 ARG A 23 7.576 -13.582 -5.052 1.00 23.01 H new ATOM 0 HH12 ARG A 23 7.230 -15.253 -4.595 1.00 23.01 H new ATOM 0 HH21 ARG A 23 6.629 -16.323 -7.900 1.00 62.32 H new ATOM 0 HH22 ARG A 23 6.696 -16.798 -6.199 1.00 62.32 H new ATOM 350 N ILE A 24 5.293 -8.231 -5.283 1.00 72.54 N ATOM 351 CA ILE A 24 4.643 -8.173 -3.971 1.00 33.03 C ATOM 352 C ILE A 24 3.145 -7.899 -4.108 1.00 32.13 C ATOM 353 O ILE A 24 2.319 -8.670 -3.622 1.00 42.11 O ATOM 354 CB ILE A 24 5.277 -7.097 -3.057 1.00 12.12 C ATOM 355 CG1 ILE A 24 6.767 -7.377 -2.854 1.00 44.40 C ATOM 356 CG2 ILE A 24 4.562 -7.049 -1.712 1.00 3.41 C ATOM 357 CD1 ILE A 24 7.482 -6.324 -2.027 1.00 42.30 C ATOM 0 H ILE A 24 6.015 -7.526 -5.431 1.00 72.54 H new ATOM 0 HA ILE A 24 4.791 -9.149 -3.510 1.00 33.03 H new ATOM 0 HB ILE A 24 5.168 -6.128 -3.543 1.00 12.12 H new ATOM 0 HG12 ILE A 24 6.882 -8.346 -2.369 1.00 44.40 H new ATOM 0 HG13 ILE A 24 7.250 -7.449 -3.829 1.00 44.40 H new ATOM 0 HG21 ILE A 24 5.021 -6.287 -1.083 1.00 3.41 H new ATOM 0 HG22 ILE A 24 3.511 -6.806 -1.867 1.00 3.41 H new ATOM 0 HG23 ILE A 24 4.642 -8.020 -1.223 1.00 3.41 H new ATOM 0 HD11 ILE A 24 8.534 -6.592 -1.927 1.00 42.30 H new ATOM 0 HD12 ILE A 24 7.400 -5.356 -2.521 1.00 42.30 H new ATOM 0 HD13 ILE A 24 7.027 -6.267 -1.038 1.00 42.30 H new ATOM 369 N ILE A 25 2.801 -6.808 -4.779 1.00 54.34 N ATOM 370 CA ILE A 25 1.406 -6.447 -4.996 1.00 61.25 C ATOM 371 C ILE A 25 1.198 -6.156 -6.483 1.00 10.31 C ATOM 372 O ILE A 25 2.163 -5.869 -7.194 1.00 32.10 O ATOM 373 CB ILE A 25 0.991 -5.218 -4.145 1.00 50.24 C ATOM 374 CG1 ILE A 25 1.537 -5.325 -2.717 1.00 32.33 C ATOM 375 CG2 ILE A 25 -0.511 -5.076 -4.112 1.00 43.30 C ATOM 376 CD1 ILE A 25 1.268 -4.099 -1.869 1.00 74.44 C ATOM 0 H ILE A 25 3.472 -6.155 -5.184 1.00 54.34 H new ATOM 0 HA ILE A 25 0.777 -7.281 -4.684 1.00 61.25 H new ATOM 0 HB ILE A 25 1.420 -4.332 -4.613 1.00 50.24 H new ATOM 0 HG12 ILE A 25 1.094 -6.195 -2.232 1.00 32.33 H new ATOM 0 HG13 ILE A 25 2.612 -5.497 -2.761 1.00 32.33 H new ATOM 0 HG21 ILE A 25 -0.781 -4.208 -3.510 1.00 43.30 H new ATOM 0 HG22 ILE A 25 -0.886 -4.945 -5.127 1.00 43.30 H new ATOM 0 HG23 ILE A 25 -0.952 -5.972 -3.675 1.00 43.30 H new ATOM 0 HD11 ILE A 25 1.683 -4.248 -0.872 1.00 74.44 H new ATOM 0 HD12 ILE A 25 1.734 -3.228 -2.330 1.00 74.44 H new ATOM 0 HD13 ILE A 25 0.193 -3.937 -1.794 1.00 74.44 H new ATOM 388 N GLY A 26 -0.038 -6.232 -6.962 1.00 13.31 N ATOM 389 CA GLY A 26 -0.268 -6.135 -8.387 1.00 43.44 C ATOM 390 C GLY A 26 -1.361 -5.161 -8.767 1.00 1.43 C ATOM 391 O GLY A 26 -1.165 -3.949 -8.738 1.00 31.31 O ATOM 0 H GLY A 26 -0.876 -6.358 -6.394 1.00 13.31 H new ATOM 0 HA2 GLY A 26 0.659 -5.834 -8.875 1.00 43.44 H new ATOM 0 HA3 GLY A 26 -0.525 -7.122 -8.772 1.00 43.44 H new ATOM 395 N ALA A 27 -2.506 -5.700 -9.141 1.00 1.51 N ATOM 396 CA ALA A 27 -3.641 -4.898 -9.560 1.00 55.13 C ATOM 397 C ALA A 27 -4.934 -5.593 -9.158 1.00 33.03 C ATOM 398 O ALA A 27 -5.435 -6.457 -9.879 1.00 63.13 O ATOM 399 CB ALA A 27 -3.602 -4.690 -11.064 1.00 52.13 C ATOM 0 H ALA A 27 -2.676 -6.705 -9.163 1.00 1.51 H new ATOM 0 HA ALA A 27 -3.594 -3.925 -9.072 1.00 55.13 H new ATOM 0 HB1 ALA A 27 -4.457 -4.087 -11.370 1.00 52.13 H new ATOM 0 HB2 ALA A 27 -2.680 -4.177 -11.337 1.00 52.13 H new ATOM 0 HB3 ALA A 27 -3.641 -5.657 -11.566 1.00 52.13 H new ATOM 405 N LEU A 28 -5.451 -5.237 -7.996 1.00 55.44 N ATOM 406 CA LEU A 28 -6.675 -5.838 -7.488 1.00 21.42 C ATOM 407 C LEU A 28 -7.364 -4.864 -6.539 1.00 2.24 C ATOM 408 O LEU A 28 -7.203 -4.940 -5.320 1.00 4.33 O ATOM 409 CB LEU A 28 -6.358 -7.170 -6.783 1.00 63.52 C ATOM 410 CG LEU A 28 -7.510 -8.187 -6.687 1.00 61.02 C ATOM 411 CD1 LEU A 28 -8.554 -7.755 -5.669 1.00 20.41 C ATOM 412 CD2 LEU A 28 -8.156 -8.396 -8.049 1.00 21.11 C ATOM 0 H LEU A 28 -5.042 -4.532 -7.383 1.00 55.44 H new ATOM 0 HA LEU A 28 -7.350 -6.050 -8.317 1.00 21.42 H new ATOM 0 HB2 LEU A 28 -5.527 -7.644 -7.306 1.00 63.52 H new ATOM 0 HB3 LEU A 28 -6.014 -6.948 -5.773 1.00 63.52 H new ATOM 0 HG LEU A 28 -7.085 -9.132 -6.350 1.00 61.02 H new ATOM 0 HD11 LEU A 28 -9.352 -8.497 -5.629 1.00 20.41 H new ATOM 0 HD12 LEU A 28 -8.090 -7.667 -4.687 1.00 20.41 H new ATOM 0 HD13 LEU A 28 -8.970 -6.791 -5.961 1.00 20.41 H new ATOM 0 HD21 LEU A 28 -8.968 -9.118 -7.960 1.00 21.11 H new ATOM 0 HD22 LEU A 28 -8.552 -7.448 -8.413 1.00 21.11 H new ATOM 0 HD23 LEU A 28 -7.412 -8.772 -8.751 1.00 21.11 H new ATOM 424 N PRO A 29 -8.093 -3.891 -7.098 1.00 44.42 N ATOM 425 CA PRO A 29 -8.836 -2.904 -6.320 1.00 42.43 C ATOM 426 C PRO A 29 -10.106 -3.490 -5.712 1.00 73.10 C ATOM 427 O PRO A 29 -11.174 -3.479 -6.325 1.00 31.10 O ATOM 428 CB PRO A 29 -9.173 -1.810 -7.347 1.00 1.22 C ATOM 429 CG PRO A 29 -8.374 -2.151 -8.563 1.00 22.22 C ATOM 430 CD PRO A 29 -8.233 -3.641 -8.534 1.00 71.23 C ATOM 0 HA PRO A 29 -8.261 -2.535 -5.471 1.00 42.43 H new ATOM 0 HB2 PRO A 29 -10.240 -1.794 -7.569 1.00 1.22 H new ATOM 0 HB3 PRO A 29 -8.912 -0.822 -6.969 1.00 1.22 H new ATOM 0 HG2 PRO A 29 -8.878 -1.821 -9.471 1.00 22.22 H new ATOM 0 HG3 PRO A 29 -7.400 -1.663 -8.544 1.00 22.22 H new ATOM 0 HD2 PRO A 29 -9.103 -4.144 -8.955 1.00 71.23 H new ATOM 0 HD3 PRO A 29 -7.364 -3.982 -9.097 1.00 71.23 H new ATOM 438 N GLN A 30 -9.969 -4.037 -4.515 1.00 51.32 N ATOM 439 CA GLN A 30 -11.102 -4.595 -3.794 1.00 34.53 C ATOM 440 C GLN A 30 -11.308 -3.821 -2.499 1.00 72.31 C ATOM 441 O GLN A 30 -12.419 -3.405 -2.184 1.00 65.32 O ATOM 442 CB GLN A 30 -10.869 -6.078 -3.508 1.00 22.44 C ATOM 443 CG GLN A 30 -12.109 -6.810 -3.031 1.00 11.42 C ATOM 444 CD GLN A 30 -11.848 -8.280 -2.777 1.00 10.51 C ATOM 445 OE1 GLN A 30 -11.492 -8.674 -1.665 1.00 10.04 O ATOM 446 NE2 GLN A 30 -12.027 -9.100 -3.799 1.00 71.51 N ATOM 0 H GLN A 30 -9.080 -4.107 -4.020 1.00 51.32 H new ATOM 0 HA GLN A 30 -12.000 -4.507 -4.405 1.00 34.53 H new ATOM 0 HB2 GLN A 30 -10.499 -6.560 -4.413 1.00 22.44 H new ATOM 0 HB3 GLN A 30 -10.088 -6.175 -2.754 1.00 22.44 H new ATOM 0 HG2 GLN A 30 -12.473 -6.345 -2.115 1.00 11.42 H new ATOM 0 HG3 GLN A 30 -12.898 -6.707 -3.776 1.00 11.42 H new ATOM 0 HE21 GLN A 30 -12.322 -8.731 -4.703 1.00 71.51 H new ATOM 0 HE22 GLN A 30 -11.870 -10.101 -3.683 1.00 71.51 H new ATOM 455 N GLY A 31 -10.220 -3.643 -1.751 1.00 54.41 N ATOM 456 CA GLY A 31 -10.230 -2.758 -0.598 1.00 5.20 C ATOM 457 C GLY A 31 -10.972 -3.310 0.607 1.00 52.02 C ATOM 458 O GLY A 31 -11.313 -2.553 1.515 1.00 12.04 O ATOM 0 H GLY A 31 -9.325 -4.100 -1.926 1.00 54.41 H new ATOM 0 HA2 GLY A 31 -9.201 -2.544 -0.310 1.00 5.20 H new ATOM 0 HA3 GLY A 31 -10.684 -1.810 -0.886 1.00 5.20 H new ATOM 462 N GLN A 32 -11.220 -4.616 0.633 1.00 4.54 N ATOM 463 CA GLN A 32 -11.911 -5.222 1.767 1.00 43.22 C ATOM 464 C GLN A 32 -10.933 -5.461 2.911 1.00 42.44 C ATOM 465 O GLN A 32 -11.080 -4.902 3.996 1.00 54.12 O ATOM 466 CB GLN A 32 -12.591 -6.538 1.378 1.00 61.30 C ATOM 467 CG GLN A 32 -13.574 -6.411 0.228 1.00 1.14 C ATOM 468 CD GLN A 32 -14.537 -7.582 0.158 1.00 12.31 C ATOM 469 OE1 GLN A 32 -15.631 -7.533 0.717 1.00 21.32 O ATOM 470 NE2 GLN A 32 -14.129 -8.655 -0.500 1.00 71.13 N ATOM 0 H GLN A 32 -10.957 -5.267 -0.107 1.00 4.54 H new ATOM 0 HA GLN A 32 -12.686 -4.528 2.091 1.00 43.22 H new ATOM 0 HB2 GLN A 32 -11.825 -7.265 1.108 1.00 61.30 H new ATOM 0 HB3 GLN A 32 -13.115 -6.935 2.248 1.00 61.30 H new ATOM 0 HG2 GLN A 32 -14.139 -5.485 0.337 1.00 1.14 H new ATOM 0 HG3 GLN A 32 -13.024 -6.340 -0.710 1.00 1.14 H new ATOM 0 HE21 GLN A 32 -13.214 -8.659 -0.952 1.00 71.13 H new ATOM 0 HE22 GLN A 32 -14.729 -9.478 -0.556 1.00 71.13 H new ATOM 479 N LYS A 33 -9.935 -6.297 2.664 1.00 44.11 N ATOM 480 CA LYS A 33 -8.898 -6.554 3.654 1.00 32.13 C ATOM 481 C LYS A 33 -7.647 -5.761 3.312 1.00 40.20 C ATOM 482 O LYS A 33 -6.633 -5.828 4.011 1.00 23.03 O ATOM 483 CB LYS A 33 -8.581 -8.052 3.751 1.00 24.11 C ATOM 484 CG LYS A 33 -9.548 -8.828 4.639 1.00 54.33 C ATOM 485 CD LYS A 33 -10.969 -8.807 4.092 1.00 53.52 C ATOM 486 CE LYS A 33 -11.966 -9.343 5.105 1.00 22.34 C ATOM 487 NZ LYS A 33 -12.067 -8.467 6.305 1.00 52.10 N ATOM 0 H LYS A 33 -9.821 -6.808 1.789 1.00 44.11 H new ATOM 0 HA LYS A 33 -9.266 -6.232 4.628 1.00 32.13 H new ATOM 0 HB2 LYS A 33 -8.596 -8.483 2.750 1.00 24.11 H new ATOM 0 HB3 LYS A 33 -7.569 -8.176 4.136 1.00 24.11 H new ATOM 0 HG2 LYS A 33 -9.209 -9.860 4.728 1.00 54.33 H new ATOM 0 HG3 LYS A 33 -9.540 -8.402 5.642 1.00 54.33 H new ATOM 0 HD2 LYS A 33 -11.239 -7.787 3.819 1.00 53.52 H new ATOM 0 HD3 LYS A 33 -11.018 -9.404 3.181 1.00 53.52 H new ATOM 0 HE2 LYS A 33 -12.946 -9.431 4.637 1.00 22.34 H new ATOM 0 HE3 LYS A 33 -11.668 -10.345 5.412 1.00 22.34 H new ATOM 0 HZ1 LYS A 33 -12.946 -8.681 6.818 1.00 52.10 H new ATOM 0 HZ2 LYS A 33 -11.252 -8.637 6.928 1.00 52.10 H new ATOM 0 HZ3 LYS A 33 -12.074 -7.470 6.008 1.00 52.10 H new ATOM 501 N VAL A 34 -7.732 -5.013 2.222 1.00 64.54 N ATOM 502 CA VAL A 34 -6.668 -4.110 1.828 1.00 24.13 C ATOM 503 C VAL A 34 -6.953 -2.728 2.395 1.00 64.14 C ATOM 504 O VAL A 34 -7.672 -1.929 1.791 1.00 40.34 O ATOM 505 CB VAL A 34 -6.520 -4.027 0.293 1.00 15.14 C ATOM 506 CG1 VAL A 34 -5.327 -3.162 -0.091 1.00 72.14 C ATOM 507 CG2 VAL A 34 -6.387 -5.419 -0.308 1.00 52.32 C ATOM 0 H VAL A 34 -8.534 -5.016 1.592 1.00 64.54 H new ATOM 0 HA VAL A 34 -5.729 -4.496 2.225 1.00 24.13 H new ATOM 0 HB VAL A 34 -7.420 -3.562 -0.110 1.00 15.14 H new ATOM 0 HG11 VAL A 34 -5.243 -3.119 -1.177 1.00 72.14 H new ATOM 0 HG12 VAL A 34 -5.466 -2.155 0.303 1.00 72.14 H new ATOM 0 HG13 VAL A 34 -4.416 -3.592 0.326 1.00 72.14 H new ATOM 0 HG21 VAL A 34 -6.284 -5.340 -1.390 1.00 52.32 H new ATOM 0 HG22 VAL A 34 -5.507 -5.911 0.105 1.00 52.32 H new ATOM 0 HG23 VAL A 34 -7.275 -6.004 -0.070 1.00 52.32 H new ATOM 517 N GLN A 35 -6.421 -2.469 3.575 1.00 44.04 N ATOM 518 CA GLN A 35 -6.705 -1.231 4.282 1.00 25.03 C ATOM 519 C GLN A 35 -5.463 -0.358 4.371 1.00 13.10 C ATOM 520 O GLN A 35 -4.350 -0.858 4.558 1.00 54.23 O ATOM 521 CB GLN A 35 -7.232 -1.529 5.690 1.00 53.12 C ATOM 522 CG GLN A 35 -6.250 -2.292 6.566 1.00 23.20 C ATOM 523 CD GLN A 35 -6.791 -2.567 7.954 1.00 50.31 C ATOM 524 OE1 GLN A 35 -7.996 -2.735 8.145 1.00 74.52 O ATOM 525 NE2 GLN A 35 -5.905 -2.606 8.934 1.00 20.22 N ATOM 0 H GLN A 35 -5.788 -3.100 4.066 1.00 44.04 H new ATOM 0 HA GLN A 35 -7.468 -0.692 3.721 1.00 25.03 H new ATOM 0 HB2 GLN A 35 -7.486 -0.589 6.179 1.00 53.12 H new ATOM 0 HB3 GLN A 35 -8.154 -2.104 5.608 1.00 53.12 H new ATOM 0 HG2 GLN A 35 -6.000 -3.238 6.085 1.00 23.20 H new ATOM 0 HG3 GLN A 35 -5.325 -1.722 6.648 1.00 23.20 H new ATOM 0 HE21 GLN A 35 -4.915 -2.462 8.733 1.00 20.22 H new ATOM 0 HE22 GLN A 35 -6.211 -2.780 9.891 1.00 20.22 H new ATOM 534 N VAL A 36 -5.661 0.943 4.222 1.00 0.31 N ATOM 535 CA VAL A 36 -4.582 1.903 4.380 1.00 32.42 C ATOM 536 C VAL A 36 -4.415 2.256 5.856 1.00 52.21 C ATOM 537 O VAL A 36 -5.379 2.618 6.532 1.00 53.31 O ATOM 538 CB VAL A 36 -4.828 3.189 3.552 1.00 72.33 C ATOM 539 CG1 VAL A 36 -4.721 2.895 2.064 1.00 53.54 C ATOM 540 CG2 VAL A 36 -6.187 3.802 3.870 1.00 44.34 C ATOM 0 H VAL A 36 -6.563 1.358 3.991 1.00 0.31 H new ATOM 0 HA VAL A 36 -3.668 1.441 4.007 1.00 32.42 H new ATOM 0 HB VAL A 36 -4.059 3.911 3.826 1.00 72.33 H new ATOM 0 HG11 VAL A 36 -4.897 3.810 1.499 1.00 53.54 H new ATOM 0 HG12 VAL A 36 -3.724 2.515 1.839 1.00 53.54 H new ATOM 0 HG13 VAL A 36 -5.465 2.148 1.786 1.00 53.54 H new ATOM 0 HG21 VAL A 36 -6.329 4.703 3.273 1.00 44.34 H new ATOM 0 HG22 VAL A 36 -6.973 3.084 3.637 1.00 44.34 H new ATOM 0 HG23 VAL A 36 -6.232 4.058 4.929 1.00 44.34 H new ATOM 550 N ILE A 37 -3.204 2.109 6.363 1.00 51.31 N ATOM 551 CA ILE A 37 -2.928 2.418 7.757 1.00 62.34 C ATOM 552 C ILE A 37 -2.440 3.854 7.890 1.00 65.34 C ATOM 553 O ILE A 37 -2.946 4.627 8.710 1.00 3.03 O ATOM 554 CB ILE A 37 -1.879 1.455 8.356 1.00 1.24 C ATOM 555 CG1 ILE A 37 -2.333 0.002 8.186 1.00 61.32 C ATOM 556 CG2 ILE A 37 -1.636 1.766 9.825 1.00 34.54 C ATOM 557 CD1 ILE A 37 -1.224 -0.932 7.750 1.00 11.44 C ATOM 0 H ILE A 37 -2.397 1.779 5.833 1.00 51.31 H new ATOM 0 HA ILE A 37 -3.858 2.295 8.312 1.00 62.34 H new ATOM 0 HB ILE A 37 -0.941 1.594 7.819 1.00 1.24 H new ATOM 0 HG12 ILE A 37 -2.746 -0.354 9.130 1.00 61.32 H new ATOM 0 HG13 ILE A 37 -3.138 -0.035 7.452 1.00 61.32 H new ATOM 0 HG21 ILE A 37 -0.894 1.075 10.225 1.00 34.54 H new ATOM 0 HG22 ILE A 37 -1.271 2.788 9.925 1.00 34.54 H new ATOM 0 HG23 ILE A 37 -2.568 1.658 10.379 1.00 34.54 H new ATOM 0 HD11 ILE A 37 -1.618 -1.943 7.650 1.00 11.44 H new ATOM 0 HD12 ILE A 37 -0.826 -0.601 6.791 1.00 11.44 H new ATOM 0 HD13 ILE A 37 -0.428 -0.925 8.495 1.00 11.44 H new ATOM 569 N SER A 38 -1.465 4.203 7.068 1.00 71.41 N ATOM 570 CA SER A 38 -0.901 5.540 7.052 1.00 12.42 C ATOM 571 C SER A 38 -0.123 5.731 5.766 1.00 4.21 C ATOM 572 O SER A 38 0.120 4.771 5.038 1.00 35.03 O ATOM 573 CB SER A 38 0.009 5.754 8.270 1.00 40.51 C ATOM 574 OG SER A 38 0.442 7.099 8.365 1.00 25.51 O ATOM 0 H SER A 38 -1.042 3.566 6.393 1.00 71.41 H new ATOM 0 HA SER A 38 -1.705 6.275 7.102 1.00 12.42 H new ATOM 0 HB2 SER A 38 -0.527 5.478 9.178 1.00 40.51 H new ATOM 0 HB3 SER A 38 0.875 5.096 8.198 1.00 40.51 H new ATOM 0 HG SER A 38 1.018 7.203 9.151 1.00 25.51 H new ATOM 580 N GLU A 39 0.257 6.957 5.477 1.00 12.22 N ATOM 581 CA GLU A 39 0.985 7.249 4.257 1.00 4.12 C ATOM 582 C GLU A 39 2.087 8.270 4.515 1.00 22.11 C ATOM 583 O GLU A 39 1.999 9.072 5.445 1.00 54.30 O ATOM 584 CB GLU A 39 0.021 7.704 3.148 1.00 73.41 C ATOM 585 CG GLU A 39 -0.940 8.820 3.536 1.00 74.53 C ATOM 586 CD GLU A 39 -0.291 10.187 3.538 1.00 74.13 C ATOM 587 OE1 GLU A 39 0.226 10.602 2.480 1.00 50.52 O ATOM 588 OE2 GLU A 39 -0.310 10.856 4.593 1.00 41.44 O ATOM 0 H GLU A 39 0.075 7.768 6.068 1.00 12.22 H new ATOM 0 HA GLU A 39 1.470 6.336 3.911 1.00 4.12 H new ATOM 0 HB2 GLU A 39 0.609 8.035 2.292 1.00 73.41 H new ATOM 0 HB3 GLU A 39 -0.562 6.843 2.821 1.00 73.41 H new ATOM 0 HG2 GLU A 39 -1.781 8.825 2.843 1.00 74.53 H new ATOM 0 HG3 GLU A 39 -1.345 8.615 4.527 1.00 74.53 H new ATOM 595 N ASN A 40 3.136 8.206 3.707 1.00 54.03 N ATOM 596 CA ASN A 40 4.291 9.077 3.868 1.00 51.33 C ATOM 597 C ASN A 40 5.023 9.207 2.540 1.00 63.44 C ATOM 598 O ASN A 40 5.303 8.202 1.880 1.00 31.00 O ATOM 599 CB ASN A 40 5.236 8.500 4.931 1.00 31.03 C ATOM 600 CG ASN A 40 6.284 9.491 5.415 1.00 75.24 C ATOM 601 OD1 ASN A 40 6.681 10.412 4.697 1.00 0.44 O ATOM 602 ND2 ASN A 40 6.747 9.303 6.640 1.00 64.14 N ATOM 0 H ASN A 40 3.210 7.553 2.927 1.00 54.03 H new ATOM 0 HA ASN A 40 3.955 10.063 4.190 1.00 51.33 H new ATOM 0 HB2 ASN A 40 4.647 8.161 5.783 1.00 31.03 H new ATOM 0 HB3 ASN A 40 5.738 7.623 4.522 1.00 31.03 H new ATOM 0 HD21 ASN A 40 7.456 9.931 7.019 1.00 64.14 H new ATOM 0 HD22 ASN A 40 6.395 8.530 7.205 1.00 64.14 H new ATOM 609 N SER A 41 5.291 10.448 2.138 1.00 44.54 N ATOM 610 CA SER A 41 6.067 10.744 0.930 1.00 65.13 C ATOM 611 C SER A 41 5.280 10.435 -0.348 1.00 53.34 C ATOM 612 O SER A 41 5.772 10.657 -1.454 1.00 33.03 O ATOM 613 CB SER A 41 7.399 9.972 0.948 1.00 51.15 C ATOM 614 OG SER A 41 8.201 10.283 -0.181 1.00 22.42 O ATOM 0 H SER A 41 4.977 11.279 2.639 1.00 44.54 H new ATOM 0 HA SER A 41 6.277 11.814 0.928 1.00 65.13 H new ATOM 0 HB2 SER A 41 7.946 10.211 1.860 1.00 51.15 H new ATOM 0 HB3 SER A 41 7.199 8.901 0.968 1.00 51.15 H new ATOM 0 HG SER A 41 7.630 10.606 -0.909 1.00 22.42 H new ATOM 620 N GLY A 42 4.054 9.949 -0.202 1.00 32.24 N ATOM 621 CA GLY A 42 3.250 9.602 -1.358 1.00 22.35 C ATOM 622 C GLY A 42 2.907 8.130 -1.383 1.00 50.53 C ATOM 623 O GLY A 42 1.949 7.712 -2.040 1.00 74.44 O ATOM 0 H GLY A 42 3.601 9.789 0.698 1.00 32.24 H new ATOM 0 HA2 GLY A 42 2.332 10.189 -1.351 1.00 22.35 H new ATOM 0 HA3 GLY A 42 3.790 9.865 -2.268 1.00 22.35 H new ATOM 627 N TRP A 43 3.702 7.337 -0.678 1.00 51.11 N ATOM 628 CA TRP A 43 3.435 5.912 -0.547 1.00 0.42 C ATOM 629 C TRP A 43 2.678 5.650 0.745 1.00 74.11 C ATOM 630 O TRP A 43 2.835 6.381 1.721 1.00 45.20 O ATOM 631 CB TRP A 43 4.733 5.101 -0.554 1.00 41.34 C ATOM 632 CG TRP A 43 5.407 5.020 -1.892 1.00 13.41 C ATOM 633 CD1 TRP A 43 5.020 5.619 -3.059 1.00 12.40 C ATOM 634 CD2 TRP A 43 6.590 4.275 -2.195 1.00 43.44 C ATOM 635 NE1 TRP A 43 5.900 5.301 -4.064 1.00 52.43 N ATOM 636 CE2 TRP A 43 6.871 4.475 -3.560 1.00 65.15 C ATOM 637 CE3 TRP A 43 7.441 3.462 -1.444 1.00 62.21 C ATOM 638 CZ2 TRP A 43 7.969 3.888 -4.185 1.00 3.50 C ATOM 639 CZ3 TRP A 43 8.529 2.879 -2.067 1.00 5.42 C ATOM 640 CH2 TRP A 43 8.784 3.096 -3.427 1.00 11.45 C ATOM 0 H TRP A 43 4.537 7.657 -0.188 1.00 51.11 H new ATOM 0 HA TRP A 43 2.833 5.600 -1.400 1.00 0.42 H new ATOM 0 HB2 TRP A 43 5.426 5.542 0.162 1.00 41.34 H new ATOM 0 HB3 TRP A 43 4.517 4.090 -0.208 1.00 41.34 H new ATOM 0 HD1 TRP A 43 4.150 6.249 -3.173 1.00 12.40 H new ATOM 0 HE1 TRP A 43 5.841 5.627 -5.029 1.00 52.43 H new ATOM 0 HE3 TRP A 43 7.253 3.291 -0.394 1.00 62.21 H new ATOM 0 HZ2 TRP A 43 8.169 4.053 -5.233 1.00 3.50 H new ATOM 0 HZ3 TRP A 43 9.193 2.246 -1.496 1.00 5.42 H new ATOM 0 HH2 TRP A 43 9.642 2.628 -3.886 1.00 11.45 H new ATOM 651 N SER A 44 1.864 4.614 0.752 1.00 60.42 N ATOM 652 CA SER A 44 1.065 4.296 1.920 1.00 21.25 C ATOM 653 C SER A 44 1.443 2.933 2.485 1.00 3.23 C ATOM 654 O SER A 44 1.716 1.988 1.742 1.00 31.01 O ATOM 655 CB SER A 44 -0.424 4.326 1.564 1.00 12.41 C ATOM 656 OG SER A 44 -1.243 4.213 2.719 1.00 40.33 O ATOM 0 H SER A 44 1.738 3.978 -0.036 1.00 60.42 H new ATOM 0 HA SER A 44 1.264 5.048 2.684 1.00 21.25 H new ATOM 0 HB2 SER A 44 -0.655 5.256 1.044 1.00 12.41 H new ATOM 0 HB3 SER A 44 -0.650 3.511 0.876 1.00 12.41 H new ATOM 0 HG SER A 44 -0.758 4.556 3.499 1.00 40.33 H new ATOM 662 N LYS A 45 1.478 2.860 3.805 1.00 60.51 N ATOM 663 CA LYS A 45 1.653 1.616 4.516 1.00 33.23 C ATOM 664 C LYS A 45 0.307 0.926 4.631 1.00 54.44 C ATOM 665 O LYS A 45 -0.572 1.388 5.363 1.00 23.23 O ATOM 666 CB LYS A 45 2.206 1.905 5.907 1.00 64.20 C ATOM 667 CG LYS A 45 3.713 2.079 5.954 1.00 74.02 C ATOM 668 CD LYS A 45 4.448 0.748 5.955 1.00 10.04 C ATOM 669 CE LYS A 45 4.056 -0.103 7.151 1.00 52.23 C ATOM 670 NZ LYS A 45 5.172 -0.968 7.609 1.00 10.15 N ATOM 0 H LYS A 45 1.384 3.673 4.414 1.00 60.51 H new ATOM 0 HA LYS A 45 2.351 0.972 3.981 1.00 33.23 H new ATOM 0 HB2 LYS A 45 1.735 2.809 6.292 1.00 64.20 H new ATOM 0 HB3 LYS A 45 1.925 1.090 6.574 1.00 64.20 H new ATOM 0 HG2 LYS A 45 4.035 2.669 5.096 1.00 74.02 H new ATOM 0 HG3 LYS A 45 3.984 2.642 6.847 1.00 74.02 H new ATOM 0 HD2 LYS A 45 4.226 0.208 5.034 1.00 10.04 H new ATOM 0 HD3 LYS A 45 5.523 0.925 5.970 1.00 10.04 H new ATOM 0 HE2 LYS A 45 3.741 0.545 7.969 1.00 52.23 H new ATOM 0 HE3 LYS A 45 3.200 -0.725 6.888 1.00 52.23 H new ATOM 0 HZ1 LYS A 45 4.862 -1.531 8.426 1.00 10.15 H new ATOM 0 HZ2 LYS A 45 5.457 -1.605 6.838 1.00 10.15 H new ATOM 0 HZ3 LYS A 45 5.981 -0.375 7.885 1.00 10.15 H new ATOM 684 N ILE A 46 0.131 -0.154 3.898 1.00 63.24 N ATOM 685 CA ILE A 46 -1.162 -0.820 3.852 1.00 12.13 C ATOM 686 C ILE A 46 -1.025 -2.311 4.103 1.00 4.41 C ATOM 687 O ILE A 46 0.071 -2.873 4.016 1.00 11.02 O ATOM 688 CB ILE A 46 -1.901 -0.612 2.499 1.00 54.12 C ATOM 689 CG1 ILE A 46 -1.316 -1.493 1.381 1.00 25.52 C ATOM 690 CG2 ILE A 46 -1.862 0.851 2.087 1.00 72.23 C ATOM 691 CD1 ILE A 46 0.083 -1.112 0.937 1.00 71.12 C ATOM 0 H ILE A 46 0.857 -0.589 3.329 1.00 63.24 H new ATOM 0 HA ILE A 46 -1.754 -0.361 4.643 1.00 12.13 H new ATOM 0 HB ILE A 46 -2.938 -0.913 2.649 1.00 54.12 H new ATOM 0 HG12 ILE A 46 -1.304 -2.528 1.722 1.00 25.52 H new ATOM 0 HG13 ILE A 46 -1.980 -1.449 0.518 1.00 25.52 H new ATOM 0 HG21 ILE A 46 -2.384 0.976 1.138 1.00 72.23 H new ATOM 0 HG22 ILE A 46 -2.348 1.457 2.851 1.00 72.23 H new ATOM 0 HG23 ILE A 46 -0.826 1.170 1.976 1.00 72.23 H new ATOM 0 HD11 ILE A 46 0.411 -1.788 0.147 1.00 71.12 H new ATOM 0 HD12 ILE A 46 0.079 -0.089 0.561 1.00 71.12 H new ATOM 0 HD13 ILE A 46 0.766 -1.185 1.783 1.00 71.12 H new ATOM 703 N ASN A 47 -2.143 -2.936 4.422 1.00 41.52 N ATOM 704 CA ASN A 47 -2.203 -4.378 4.543 1.00 53.41 C ATOM 705 C ASN A 47 -2.836 -4.950 3.287 1.00 22.51 C ATOM 706 O ASN A 47 -4.015 -4.725 3.020 1.00 24.21 O ATOM 707 CB ASN A 47 -3.012 -4.780 5.783 1.00 12.50 C ATOM 708 CG ASN A 47 -3.200 -6.281 5.901 1.00 11.12 C ATOM 709 OD1 ASN A 47 -2.340 -6.982 6.428 1.00 71.22 O ATOM 710 ND2 ASN A 47 -4.329 -6.788 5.427 1.00 15.20 N ATOM 0 H ASN A 47 -3.028 -2.462 4.603 1.00 41.52 H new ATOM 0 HA ASN A 47 -1.195 -4.777 4.657 1.00 53.41 H new ATOM 0 HB2 ASN A 47 -2.508 -4.410 6.676 1.00 12.50 H new ATOM 0 HB3 ASN A 47 -3.989 -4.298 5.746 1.00 12.50 H new ATOM 0 HD21 ASN A 47 -4.506 -7.790 5.494 1.00 15.20 H new ATOM 0 HD22 ASN A 47 -5.021 -6.176 4.995 1.00 15.20 H new ATOM 717 N TYR A 48 -2.055 -5.679 2.514 1.00 63.13 N ATOM 718 CA TYR A 48 -2.530 -6.227 1.257 1.00 0.10 C ATOM 719 C TYR A 48 -2.773 -7.718 1.393 1.00 55.01 C ATOM 720 O TYR A 48 -1.839 -8.511 1.343 1.00 24.03 O ATOM 721 CB TYR A 48 -1.525 -5.949 0.136 1.00 23.34 C ATOM 722 CG TYR A 48 -1.956 -6.473 -1.219 1.00 24.14 C ATOM 723 CD1 TYR A 48 -2.903 -5.793 -1.975 1.00 51.14 C ATOM 724 CD2 TYR A 48 -1.417 -7.643 -1.742 1.00 23.45 C ATOM 725 CE1 TYR A 48 -3.300 -6.263 -3.211 1.00 10.21 C ATOM 726 CE2 TYR A 48 -1.811 -8.121 -2.976 1.00 13.50 C ATOM 727 CZ TYR A 48 -2.753 -7.428 -3.707 1.00 25.11 C ATOM 728 OH TYR A 48 -3.144 -7.898 -4.937 1.00 53.01 O ATOM 0 H TYR A 48 -1.085 -5.907 2.735 1.00 63.13 H new ATOM 0 HA TYR A 48 -3.472 -5.742 1.001 1.00 0.10 H new ATOM 0 HB2 TYR A 48 -1.364 -4.873 0.064 1.00 23.34 H new ATOM 0 HB3 TYR A 48 -0.567 -6.398 0.400 1.00 23.34 H new ATOM 0 HD1 TYR A 48 -3.336 -4.882 -1.589 1.00 51.14 H new ATOM 0 HD2 TYR A 48 -0.678 -8.187 -1.173 1.00 23.45 H new ATOM 0 HE1 TYR A 48 -4.035 -5.721 -3.787 1.00 10.21 H new ATOM 0 HE2 TYR A 48 -1.384 -9.033 -3.367 1.00 13.50 H new ATOM 0 HH TYR A 48 -2.663 -8.728 -5.138 1.00 53.01 H new ATOM 738 N ASN A 49 -4.028 -8.086 1.611 1.00 52.32 N ATOM 739 CA ASN A 49 -4.425 -9.491 1.681 1.00 43.12 C ATOM 740 C ASN A 49 -3.617 -10.238 2.749 1.00 74.52 C ATOM 741 O ASN A 49 -3.297 -11.418 2.598 1.00 14.32 O ATOM 742 CB ASN A 49 -4.236 -10.155 0.309 1.00 73.22 C ATOM 743 CG ASN A 49 -5.021 -11.445 0.173 1.00 11.54 C ATOM 744 OD1 ASN A 49 -6.102 -11.588 0.739 1.00 43.12 O ATOM 745 ND2 ASN A 49 -4.487 -12.392 -0.582 1.00 43.13 N ATOM 0 H ASN A 49 -4.796 -7.428 1.744 1.00 52.32 H new ATOM 0 HA ASN A 49 -5.477 -9.539 1.960 1.00 43.12 H new ATOM 0 HB2 ASN A 49 -4.546 -9.461 -0.472 1.00 73.22 H new ATOM 0 HB3 ASN A 49 -3.177 -10.360 0.151 1.00 73.22 H new ATOM 0 HD21 ASN A 49 -4.976 -13.278 -0.710 1.00 43.13 H new ATOM 0 HD22 ASN A 49 -3.587 -12.236 -1.036 1.00 43.13 H new ATOM 752 N GLY A 50 -3.294 -9.542 3.833 1.00 44.20 N ATOM 753 CA GLY A 50 -2.622 -10.180 4.954 1.00 12.51 C ATOM 754 C GLY A 50 -1.108 -10.051 4.919 1.00 43.24 C ATOM 755 O GLY A 50 -0.418 -10.633 5.760 1.00 12.35 O ATOM 0 H GLY A 50 -3.485 -8.548 3.957 1.00 44.20 H new ATOM 0 HA2 GLY A 50 -2.992 -9.745 5.882 1.00 12.51 H new ATOM 0 HA3 GLY A 50 -2.886 -11.237 4.969 1.00 12.51 H new ATOM 759 N GLN A 51 -0.579 -9.313 3.951 1.00 44.23 N ATOM 760 CA GLN A 51 0.855 -9.037 3.911 1.00 5.52 C ATOM 761 C GLN A 51 1.102 -7.532 3.875 1.00 4.24 C ATOM 762 O GLN A 51 0.237 -6.763 3.445 1.00 10.21 O ATOM 763 CB GLN A 51 1.522 -9.717 2.706 1.00 53.43 C ATOM 764 CG GLN A 51 0.984 -9.256 1.364 1.00 55.32 C ATOM 765 CD GLN A 51 1.732 -9.843 0.187 1.00 10.13 C ATOM 766 OE1 GLN A 51 2.285 -10.941 0.259 1.00 14.33 O ATOM 767 NE2 GLN A 51 1.750 -9.109 -0.910 1.00 32.54 N ATOM 0 H GLN A 51 -1.114 -8.897 3.189 1.00 44.23 H new ATOM 0 HA GLN A 51 1.302 -9.448 4.816 1.00 5.52 H new ATOM 0 HB2 GLN A 51 2.595 -9.526 2.741 1.00 53.43 H new ATOM 0 HB3 GLN A 51 1.387 -10.795 2.789 1.00 53.43 H new ATOM 0 HG2 GLN A 51 -0.069 -9.528 1.289 1.00 55.32 H new ATOM 0 HG3 GLN A 51 1.036 -8.168 1.313 1.00 55.32 H new ATOM 0 HE21 GLN A 51 1.279 -8.205 -0.926 1.00 32.54 H new ATOM 0 HE22 GLN A 51 2.235 -9.446 -1.741 1.00 32.54 H new ATOM 776 N THR A 52 2.273 -7.117 4.325 1.00 55.04 N ATOM 777 CA THR A 52 2.610 -5.702 4.396 1.00 44.13 C ATOM 778 C THR A 52 3.277 -5.241 3.100 1.00 53.41 C ATOM 779 O THR A 52 4.060 -5.981 2.503 1.00 3.22 O ATOM 780 CB THR A 52 3.558 -5.432 5.579 1.00 23.53 C ATOM 781 OG1 THR A 52 3.114 -6.157 6.735 1.00 42.32 O ATOM 782 CG2 THR A 52 3.612 -3.947 5.905 1.00 35.32 C ATOM 0 H THR A 52 3.011 -7.742 4.649 1.00 55.04 H new ATOM 0 HA THR A 52 1.685 -5.144 4.541 1.00 44.13 H new ATOM 0 HB THR A 52 4.557 -5.764 5.296 1.00 23.53 H new ATOM 0 HG1 THR A 52 3.722 -5.983 7.484 1.00 42.32 H new ATOM 0 HG21 THR A 52 4.288 -3.783 6.744 1.00 35.32 H new ATOM 0 HG22 THR A 52 3.972 -3.397 5.036 1.00 35.32 H new ATOM 0 HG23 THR A 52 2.614 -3.596 6.169 1.00 35.32 H new ATOM 790 N GLY A 53 2.965 -4.028 2.664 1.00 13.34 N ATOM 791 CA GLY A 53 3.573 -3.497 1.462 1.00 74.12 C ATOM 792 C GLY A 53 3.415 -1.996 1.356 1.00 22.24 C ATOM 793 O GLY A 53 3.005 -1.340 2.319 1.00 3.23 O ATOM 0 H GLY A 53 2.302 -3.403 3.122 1.00 13.34 H new ATOM 0 HA2 GLY A 53 4.633 -3.751 1.451 1.00 74.12 H new ATOM 0 HA3 GLY A 53 3.123 -3.970 0.590 1.00 74.12 H new ATOM 797 N TYR A 54 3.738 -1.457 0.189 1.00 31.45 N ATOM 798 CA TYR A 54 3.595 -0.031 -0.078 1.00 3.33 C ATOM 799 C TYR A 54 2.841 0.175 -1.384 1.00 44.31 C ATOM 800 O TYR A 54 2.958 -0.638 -2.302 1.00 62.11 O ATOM 801 CB TYR A 54 4.967 0.651 -0.178 1.00 20.02 C ATOM 802 CG TYR A 54 5.774 0.644 1.104 1.00 63.33 C ATOM 803 CD1 TYR A 54 6.634 -0.406 1.403 1.00 32.43 C ATOM 804 CD2 TYR A 54 5.682 1.695 2.007 1.00 1.32 C ATOM 805 CE1 TYR A 54 7.378 -0.408 2.568 1.00 1.15 C ATOM 806 CE2 TYR A 54 6.425 1.700 3.173 1.00 60.42 C ATOM 807 CZ TYR A 54 7.270 0.646 3.449 1.00 40.12 C ATOM 808 OH TYR A 54 8.009 0.647 4.611 1.00 62.21 O ATOM 0 H TYR A 54 4.105 -1.993 -0.597 1.00 31.45 H new ATOM 0 HA TYR A 54 3.041 0.414 0.748 1.00 3.33 H new ATOM 0 HB2 TYR A 54 5.546 0.158 -0.958 1.00 20.02 H new ATOM 0 HB3 TYR A 54 4.822 1.684 -0.494 1.00 20.02 H new ATOM 0 HD1 TYR A 54 6.722 -1.233 0.714 1.00 32.43 H new ATOM 0 HD2 TYR A 54 5.020 2.521 1.795 1.00 1.32 H new ATOM 0 HE1 TYR A 54 8.041 -1.232 2.787 1.00 1.15 H new ATOM 0 HE2 TYR A 54 6.344 2.526 3.864 1.00 60.42 H new ATOM 0 HH TYR A 54 7.817 1.462 5.120 1.00 62.21 H new ATOM 818 N ILE A 55 2.058 1.241 -1.456 1.00 34.25 N ATOM 819 CA ILE A 55 1.351 1.605 -2.682 1.00 4.44 C ATOM 820 C ILE A 55 1.287 3.119 -2.827 1.00 4.41 C ATOM 821 O ILE A 55 1.655 3.846 -1.906 1.00 64.40 O ATOM 822 CB ILE A 55 -0.085 1.015 -2.750 1.00 72.15 C ATOM 823 CG1 ILE A 55 -0.864 1.258 -1.450 1.00 22.53 C ATOM 824 CG2 ILE A 55 -0.047 -0.471 -3.072 1.00 1.45 C ATOM 825 CD1 ILE A 55 -1.465 2.642 -1.334 1.00 5.52 C ATOM 0 H ILE A 55 1.893 1.876 -0.675 1.00 34.25 H new ATOM 0 HA ILE A 55 1.919 1.174 -3.506 1.00 4.44 H new ATOM 0 HB ILE A 55 -0.607 1.534 -3.553 1.00 72.15 H new ATOM 0 HG12 ILE A 55 -1.663 0.520 -1.376 1.00 22.53 H new ATOM 0 HG13 ILE A 55 -0.197 1.092 -0.604 1.00 22.53 H new ATOM 0 HG21 ILE A 55 -1.064 -0.860 -3.114 1.00 1.45 H new ATOM 0 HG22 ILE A 55 0.439 -0.622 -4.036 1.00 1.45 H new ATOM 0 HG23 ILE A 55 0.511 -0.997 -2.297 1.00 1.45 H new ATOM 0 HD11 ILE A 55 -1.998 2.729 -0.387 1.00 5.52 H new ATOM 0 HD12 ILE A 55 -0.671 3.388 -1.374 1.00 5.52 H new ATOM 0 HD13 ILE A 55 -2.160 2.807 -2.157 1.00 5.52 H new ATOM 837 N GLY A 56 0.822 3.589 -3.977 1.00 62.11 N ATOM 838 CA GLY A 56 0.697 5.015 -4.197 1.00 61.11 C ATOM 839 C GLY A 56 -0.639 5.545 -3.715 1.00 1.53 C ATOM 840 O GLY A 56 -1.673 5.258 -4.313 1.00 34.05 O ATOM 0 H GLY A 56 0.529 3.007 -4.762 1.00 62.11 H new ATOM 0 HA2 GLY A 56 1.503 5.535 -3.678 1.00 61.11 H new ATOM 0 HA3 GLY A 56 0.811 5.230 -5.259 1.00 61.11 H new ATOM 844 N THR A 57 -0.616 6.318 -2.638 1.00 74.13 N ATOM 845 CA THR A 57 -1.836 6.823 -2.014 1.00 20.13 C ATOM 846 C THR A 57 -2.611 7.759 -2.945 1.00 13.21 C ATOM 847 O THR A 57 -3.823 7.927 -2.804 1.00 2.14 O ATOM 848 CB THR A 57 -1.496 7.585 -0.722 1.00 53.41 C ATOM 849 OG1 THR A 57 -0.380 6.960 -0.074 1.00 41.45 O ATOM 850 CG2 THR A 57 -2.688 7.611 0.226 1.00 74.35 C ATOM 0 H THR A 57 0.243 6.613 -2.173 1.00 74.13 H new ATOM 0 HA THR A 57 -2.461 5.958 -1.792 1.00 20.13 H new ATOM 0 HB THR A 57 -1.243 8.612 -0.985 1.00 53.41 H new ATOM 0 HG1 THR A 57 0.293 7.638 0.144 1.00 41.45 H new ATOM 0 HG21 THR A 57 -2.421 8.156 1.132 1.00 74.35 H new ATOM 0 HG22 THR A 57 -3.529 8.106 -0.260 1.00 74.35 H new ATOM 0 HG23 THR A 57 -2.968 6.590 0.486 1.00 74.35 H new ATOM 858 N ARG A 58 -1.905 8.360 -3.896 1.00 2.21 N ATOM 859 CA ARG A 58 -2.491 9.351 -4.779 1.00 61.45 C ATOM 860 C ARG A 58 -3.522 8.735 -5.721 1.00 34.21 C ATOM 861 O ARG A 58 -4.598 9.301 -5.925 1.00 34.44 O ATOM 862 CB ARG A 58 -1.394 10.043 -5.580 1.00 54.43 C ATOM 863 CG ARG A 58 -0.482 10.907 -4.729 1.00 63.23 C ATOM 864 CD ARG A 58 0.625 11.533 -5.557 1.00 24.12 C ATOM 865 NE ARG A 58 1.509 12.365 -4.744 1.00 50.35 N ATOM 866 CZ ARG A 58 2.798 12.558 -5.006 1.00 74.13 C ATOM 867 NH1 ARG A 58 3.363 11.968 -6.055 1.00 2.41 N ATOM 868 NH2 ARG A 58 3.526 13.339 -4.221 1.00 50.00 N ATOM 0 H ARG A 58 -0.918 8.173 -4.073 1.00 2.21 H new ATOM 0 HA ARG A 58 -3.010 10.084 -4.161 1.00 61.45 H new ATOM 0 HB2 ARG A 58 -0.796 9.288 -6.090 1.00 54.43 H new ATOM 0 HB3 ARG A 58 -1.853 10.661 -6.352 1.00 54.43 H new ATOM 0 HG2 ARG A 58 -1.067 11.692 -4.249 1.00 63.23 H new ATOM 0 HG3 ARG A 58 -0.045 10.303 -3.934 1.00 63.23 H new ATOM 0 HD2 ARG A 58 1.207 10.747 -6.038 1.00 24.12 H new ATOM 0 HD3 ARG A 58 0.187 12.137 -6.351 1.00 24.12 H new ATOM 0 HE ARG A 58 1.113 12.826 -3.925 1.00 50.35 H new ATOM 0 HH11 ARG A 58 2.807 11.365 -6.662 1.00 2.41 H new ATOM 0 HH12 ARG A 58 4.352 12.118 -6.253 1.00 2.41 H new ATOM 0 HH21 ARG A 58 3.097 13.793 -3.414 1.00 50.00 H new ATOM 0 HH22 ARG A 58 4.515 13.486 -4.423 1.00 50.00 H new ATOM 882 N TYR A 59 -3.201 7.582 -6.297 1.00 20.22 N ATOM 883 CA TYR A 59 -4.097 6.944 -7.235 1.00 44.43 C ATOM 884 C TYR A 59 -4.443 5.543 -6.775 1.00 51.43 C ATOM 885 O TYR A 59 -3.581 4.673 -6.696 1.00 42.52 O ATOM 886 CB TYR A 59 -3.449 6.890 -8.610 1.00 20.32 C ATOM 887 CG TYR A 59 -3.390 8.232 -9.297 1.00 50.34 C ATOM 888 CD1 TYR A 59 -2.398 9.139 -8.966 1.00 5.42 C ATOM 889 CD2 TYR A 59 -4.316 8.595 -10.266 1.00 32.11 C ATOM 890 CE1 TYR A 59 -2.321 10.372 -9.579 1.00 4.22 C ATOM 891 CE2 TYR A 59 -4.247 9.828 -10.887 1.00 4.31 C ATOM 892 CZ TYR A 59 -3.246 10.712 -10.540 1.00 1.32 C ATOM 893 OH TYR A 59 -3.171 11.937 -11.156 1.00 0.15 O ATOM 0 H TYR A 59 -2.331 7.078 -6.128 1.00 20.22 H new ATOM 0 HA TYR A 59 -5.016 7.528 -7.290 1.00 44.43 H new ATOM 0 HB2 TYR A 59 -2.438 6.496 -8.512 1.00 20.32 H new ATOM 0 HB3 TYR A 59 -4.004 6.193 -9.238 1.00 20.32 H new ATOM 0 HD1 TYR A 59 -1.670 8.876 -8.213 1.00 5.42 H new ATOM 0 HD2 TYR A 59 -5.101 7.905 -10.538 1.00 32.11 H new ATOM 0 HE1 TYR A 59 -1.540 11.066 -9.307 1.00 4.22 H new ATOM 0 HE2 TYR A 59 -4.973 10.098 -11.640 1.00 4.31 H new ATOM 0 HH TYR A 59 -3.897 12.020 -11.810 1.00 0.15 H new ATOM 903 N LEU A 60 -5.720 5.338 -6.519 1.00 54.21 N ATOM 904 CA LEU A 60 -6.229 4.065 -6.023 1.00 44.50 C ATOM 905 C LEU A 60 -7.694 3.907 -6.395 1.00 10.04 C ATOM 906 O LEU A 60 -8.398 4.896 -6.584 1.00 14.21 O ATOM 907 CB LEU A 60 -6.099 3.985 -4.495 1.00 64.20 C ATOM 908 CG LEU A 60 -4.676 3.845 -3.950 1.00 71.12 C ATOM 909 CD1 LEU A 60 -4.677 3.980 -2.438 1.00 11.31 C ATOM 910 CD2 LEU A 60 -4.078 2.504 -4.352 1.00 63.31 C ATOM 0 H LEU A 60 -6.440 6.049 -6.648 1.00 54.21 H new ATOM 0 HA LEU A 60 -5.640 3.269 -6.478 1.00 44.50 H new ATOM 0 HB2 LEU A 60 -6.545 4.882 -4.065 1.00 64.20 H new ATOM 0 HB3 LEU A 60 -6.687 3.137 -4.144 1.00 64.20 H new ATOM 0 HG LEU A 60 -4.065 4.641 -4.377 1.00 71.12 H new ATOM 0 HD11 LEU A 60 -3.659 3.878 -2.063 1.00 11.31 H new ATOM 0 HD12 LEU A 60 -5.070 4.958 -2.160 1.00 11.31 H new ATOM 0 HD13 LEU A 60 -5.303 3.201 -2.004 1.00 11.31 H new ATOM 0 HD21 LEU A 60 -3.066 2.423 -3.955 1.00 63.31 H new ATOM 0 HD22 LEU A 60 -4.691 1.697 -3.950 1.00 63.31 H new ATOM 0 HD23 LEU A 60 -4.048 2.430 -5.439 1.00 63.31 H new ATOM 922 N SER A 61 -8.143 2.672 -6.507 1.00 32.02 N ATOM 923 CA SER A 61 -9.554 2.390 -6.679 1.00 11.11 C ATOM 924 C SER A 61 -10.081 1.762 -5.395 1.00 31.22 C ATOM 925 O SER A 61 -9.581 0.725 -4.951 1.00 60.10 O ATOM 926 CB SER A 61 -9.774 1.471 -7.884 1.00 63.45 C ATOM 927 OG SER A 61 -9.218 2.038 -9.063 1.00 51.11 O ATOM 0 H SER A 61 -7.547 1.844 -6.482 1.00 32.02 H new ATOM 0 HA SER A 61 -10.100 3.313 -6.876 1.00 11.11 H new ATOM 0 HB2 SER A 61 -9.318 0.499 -7.693 1.00 63.45 H new ATOM 0 HB3 SER A 61 -10.841 1.300 -8.026 1.00 63.45 H new ATOM 0 HG SER A 61 -8.290 1.738 -9.164 1.00 51.11 H new ATOM 933 N LYS A 62 -11.066 2.407 -4.791 1.00 61.43 N ATOM 934 CA LYS A 62 -11.502 2.047 -3.452 1.00 4.21 C ATOM 935 C LYS A 62 -12.771 1.194 -3.488 1.00 14.54 C ATOM 936 O LYS A 62 -13.305 0.899 -4.557 1.00 54.13 O ATOM 937 CB LYS A 62 -11.709 3.318 -2.625 1.00 10.33 C ATOM 938 CG LYS A 62 -11.568 3.091 -1.133 1.00 71.44 C ATOM 939 CD LYS A 62 -11.452 4.395 -0.370 1.00 51.50 C ATOM 940 CE LYS A 62 -12.709 5.239 -0.493 1.00 62.00 C ATOM 941 NZ LYS A 62 -12.623 6.476 0.324 1.00 41.24 N ATOM 0 H LYS A 62 -11.579 3.184 -5.208 1.00 61.43 H new ATOM 0 HA LYS A 62 -10.728 1.441 -2.981 1.00 4.21 H new ATOM 0 HB2 LYS A 62 -10.987 4.071 -2.941 1.00 10.33 H new ATOM 0 HB3 LYS A 62 -12.700 3.721 -2.832 1.00 10.33 H new ATOM 0 HG2 LYS A 62 -12.430 2.533 -0.768 1.00 71.44 H new ATOM 0 HG3 LYS A 62 -10.687 2.479 -0.941 1.00 71.44 H new ATOM 0 HD2 LYS A 62 -11.258 4.184 0.682 1.00 51.50 H new ATOM 0 HD3 LYS A 62 -10.598 4.960 -0.744 1.00 51.50 H new ATOM 0 HE2 LYS A 62 -12.869 5.504 -1.538 1.00 62.00 H new ATOM 0 HE3 LYS A 62 -13.573 4.654 -0.177 1.00 62.00 H new ATOM 0 HZ1 LYS A 62 -13.499 7.026 0.214 1.00 41.24 H new ATOM 0 HZ2 LYS A 62 -12.496 6.223 1.325 1.00 41.24 H new ATOM 0 HZ3 LYS A 62 -11.814 7.047 0.006 1.00 41.24 H new ATOM 955 N LEU A 63 -13.252 0.807 -2.309 1.00 44.12 N ATOM 956 CA LEU A 63 -14.386 -0.100 -2.193 1.00 42.21 C ATOM 957 C LEU A 63 -15.713 0.657 -2.130 1.00 21.13 C ATOM 958 O LEU A 63 -16.746 0.082 -1.781 1.00 30.11 O ATOM 959 CB LEU A 63 -14.241 -1.001 -0.954 1.00 12.30 C ATOM 960 CG LEU A 63 -14.346 -0.309 0.411 1.00 53.23 C ATOM 961 CD1 LEU A 63 -14.613 -1.335 1.502 1.00 74.34 C ATOM 962 CD2 LEU A 63 -13.073 0.458 0.729 1.00 74.51 C ATOM 0 H LEU A 63 -12.868 1.112 -1.414 1.00 44.12 H new ATOM 0 HA LEU A 63 -14.392 -0.722 -3.088 1.00 42.21 H new ATOM 0 HB2 LEU A 63 -15.006 -1.775 -1.004 1.00 12.30 H new ATOM 0 HB3 LEU A 63 -13.275 -1.503 -1.009 1.00 12.30 H new ATOM 0 HG LEU A 63 -15.176 0.396 0.369 1.00 53.23 H new ATOM 0 HD11 LEU A 63 -14.685 -0.831 2.466 1.00 74.34 H new ATOM 0 HD12 LEU A 63 -15.549 -1.854 1.293 1.00 74.34 H new ATOM 0 HD13 LEU A 63 -13.797 -2.057 1.530 1.00 74.34 H new ATOM 0 HD21 LEU A 63 -13.172 0.940 1.702 1.00 74.51 H new ATOM 0 HD22 LEU A 63 -12.229 -0.231 0.750 1.00 74.51 H new ATOM 0 HD23 LEU A 63 -12.904 1.216 -0.036 1.00 74.51 H new ATOM 974 N GLU A 64 -15.694 1.936 -2.484 1.00 32.15 N ATOM 975 CA GLU A 64 -16.919 2.732 -2.498 1.00 74.14 C ATOM 976 C GLU A 64 -17.695 2.497 -3.791 1.00 1.23 C ATOM 977 O GLU A 64 -18.809 2.997 -3.966 1.00 42.22 O ATOM 978 CB GLU A 64 -16.624 4.226 -2.287 1.00 13.33 C ATOM 979 CG GLU A 64 -15.321 4.715 -2.902 1.00 65.02 C ATOM 980 CD GLU A 64 -15.297 4.621 -4.409 1.00 12.42 C ATOM 981 OE1 GLU A 64 -15.788 5.553 -5.077 1.00 73.12 O ATOM 982 OE2 GLU A 64 -14.770 3.622 -4.930 1.00 13.44 O ATOM 0 H GLU A 64 -14.854 2.442 -2.763 1.00 32.15 H new ATOM 0 HA GLU A 64 -17.541 2.407 -1.664 1.00 74.14 H new ATOM 0 HB2 GLU A 64 -17.446 4.806 -2.705 1.00 13.33 H new ATOM 0 HB3 GLU A 64 -16.602 4.429 -1.216 1.00 13.33 H new ATOM 0 HG2 GLU A 64 -15.155 5.751 -2.607 1.00 65.02 H new ATOM 0 HG3 GLU A 64 -14.495 4.132 -2.496 1.00 65.02 H new ATOM 989 N HIS A 65 -17.089 1.740 -4.693 1.00 63.22 N ATOM 990 CA HIS A 65 -17.760 1.288 -5.901 1.00 41.54 C ATOM 991 C HIS A 65 -17.914 -0.226 -5.868 1.00 64.34 C ATOM 992 O HIS A 65 -17.248 -0.909 -5.084 1.00 23.03 O ATOM 993 CB HIS A 65 -16.986 1.706 -7.157 1.00 11.13 C ATOM 994 CG HIS A 65 -17.075 3.167 -7.468 1.00 24.24 C ATOM 995 ND1 HIS A 65 -16.023 3.894 -7.974 1.00 52.54 N ATOM 996 CD2 HIS A 65 -18.112 4.032 -7.366 1.00 62.22 C ATOM 997 CE1 HIS A 65 -16.403 5.141 -8.169 1.00 42.42 C ATOM 998 NE2 HIS A 65 -17.667 5.252 -7.810 1.00 13.35 N ATOM 0 H HIS A 65 -16.123 1.423 -4.609 1.00 63.22 H new ATOM 0 HA HIS A 65 -18.744 1.756 -5.939 1.00 41.54 H new ATOM 0 HB2 HIS A 65 -15.938 1.435 -7.033 1.00 11.13 H new ATOM 0 HB3 HIS A 65 -17.363 1.140 -8.009 1.00 11.13 H new ATOM 0 HD2 HIS A 65 -19.103 3.804 -7.003 1.00 62.22 H new ATOM 0 HE1 HIS A 65 -15.784 5.937 -8.557 1.00 42.42 H new ATOM 0 HE2 HIS A 65 -18.223 6.106 -7.855 1.00 13.35 H new ATOM 1007 N HIS A 66 -18.795 -0.745 -6.713 1.00 11.12 N ATOM 1008 CA HIS A 66 -19.023 -2.182 -6.789 1.00 72.44 C ATOM 1009 C HIS A 66 -17.750 -2.906 -7.193 1.00 55.41 C ATOM 1010 O HIS A 66 -17.030 -2.472 -8.092 1.00 1.44 O ATOM 1011 CB HIS A 66 -20.168 -2.501 -7.753 1.00 35.41 C ATOM 1012 CG HIS A 66 -21.515 -2.240 -7.154 1.00 43.42 C ATOM 1013 ND1 HIS A 66 -22.349 -1.221 -7.564 1.00 15.04 N ATOM 1014 CD2 HIS A 66 -22.165 -2.870 -6.148 1.00 35.53 C ATOM 1015 CE1 HIS A 66 -23.449 -1.239 -6.837 1.00 4.41 C ATOM 1016 NE2 HIS A 66 -23.363 -2.229 -5.969 1.00 13.13 N ATOM 0 H HIS A 66 -19.363 -0.193 -7.355 1.00 11.12 H new ATOM 0 HA HIS A 66 -19.312 -2.535 -5.799 1.00 72.44 H new ATOM 0 HB2 HIS A 66 -20.054 -1.902 -8.657 1.00 35.41 H new ATOM 0 HB3 HIS A 66 -20.104 -3.547 -8.053 1.00 35.41 H new ATOM 0 HD2 HIS A 66 -21.806 -3.721 -5.589 1.00 35.53 H new ATOM 0 HE1 HIS A 66 -24.281 -0.557 -6.936 1.00 4.41 H new ATOM 0 HE2 HIS A 66 -24.072 -2.477 -5.278 1.00 13.13 H new ATOM 1025 N HIS A 67 -17.480 -4.004 -6.512 1.00 44.32 N ATOM 1026 CA HIS A 67 -16.209 -4.702 -6.633 1.00 12.25 C ATOM 1027 C HIS A 67 -16.170 -5.555 -7.892 1.00 73.11 C ATOM 1028 O HIS A 67 -16.692 -6.671 -7.917 1.00 10.12 O ATOM 1029 CB HIS A 67 -15.961 -5.579 -5.400 1.00 4.31 C ATOM 1030 CG HIS A 67 -16.050 -4.846 -4.089 1.00 62.54 C ATOM 1031 ND1 HIS A 67 -16.190 -3.477 -3.990 1.00 10.12 N ATOM 1032 CD2 HIS A 67 -16.036 -5.308 -2.813 1.00 0.35 C ATOM 1033 CE1 HIS A 67 -16.255 -3.131 -2.719 1.00 30.34 C ATOM 1034 NE2 HIS A 67 -16.166 -4.221 -1.985 1.00 41.34 N ATOM 0 H HIS A 67 -18.133 -4.438 -5.860 1.00 44.32 H new ATOM 0 HA HIS A 67 -15.421 -3.952 -6.702 1.00 12.25 H new ATOM 0 HB2 HIS A 67 -16.685 -6.394 -5.397 1.00 4.31 H new ATOM 0 HB3 HIS A 67 -14.973 -6.031 -5.483 1.00 4.31 H new ATOM 0 HD1 HIS A 67 -16.236 -2.832 -4.779 1.00 10.12 H new ATOM 0 HD2 HIS A 67 -15.940 -6.339 -2.506 1.00 0.35 H new ATOM 0 HE1 HIS A 67 -16.363 -2.124 -2.344 1.00 30.34 H new ATOM 1043 N HIS A 68 -15.556 -5.020 -8.934 1.00 11.00 N ATOM 1044 CA HIS A 68 -15.437 -5.722 -10.199 1.00 25.34 C ATOM 1045 C HIS A 68 -14.297 -6.732 -10.146 1.00 3.04 C ATOM 1046 O HIS A 68 -13.126 -6.370 -10.215 1.00 14.23 O ATOM 1047 CB HIS A 68 -15.209 -4.722 -11.340 1.00 34.24 C ATOM 1048 CG HIS A 68 -15.072 -5.362 -12.691 1.00 50.14 C ATOM 1049 ND1 HIS A 68 -13.917 -5.299 -13.443 1.00 73.40 N ATOM 1050 CD2 HIS A 68 -15.959 -6.074 -13.427 1.00 52.12 C ATOM 1051 CE1 HIS A 68 -14.099 -5.944 -14.580 1.00 0.14 C ATOM 1052 NE2 HIS A 68 -15.327 -6.423 -14.594 1.00 31.34 N ATOM 0 H HIS A 68 -15.129 -4.094 -8.927 1.00 11.00 H new ATOM 0 HA HIS A 68 -16.366 -6.261 -10.384 1.00 25.34 H new ATOM 0 HB2 HIS A 68 -16.041 -4.018 -11.365 1.00 34.24 H new ATOM 0 HB3 HIS A 68 -14.309 -4.144 -11.129 1.00 34.24 H new ATOM 0 HD2 HIS A 68 -16.973 -6.321 -13.148 1.00 52.12 H new ATOM 0 HE1 HIS A 68 -13.367 -6.060 -15.365 1.00 0.14 H new ATOM 0 HE2 HIS A 68 -15.741 -6.966 -15.351 1.00 31.34 H new ATOM 1061 N HIS A 69 -14.649 -7.999 -9.997 1.00 52.43 N ATOM 1062 CA HIS A 69 -13.664 -9.073 -10.017 1.00 52.12 C ATOM 1063 C HIS A 69 -13.522 -9.609 -11.437 1.00 63.33 C ATOM 1064 O HIS A 69 -14.453 -9.504 -12.237 1.00 34.04 O ATOM 1065 CB HIS A 69 -14.056 -10.200 -9.048 1.00 52.35 C ATOM 1066 CG HIS A 69 -15.331 -10.910 -9.401 1.00 44.52 C ATOM 1067 ND1 HIS A 69 -15.358 -12.143 -10.013 1.00 41.13 N ATOM 1068 CD2 HIS A 69 -16.626 -10.557 -9.218 1.00 0.34 C ATOM 1069 CE1 HIS A 69 -16.612 -12.516 -10.195 1.00 32.22 C ATOM 1070 NE2 HIS A 69 -17.400 -11.571 -9.719 1.00 14.21 N ATOM 0 H HIS A 69 -15.610 -8.311 -9.861 1.00 52.43 H new ATOM 0 HA HIS A 69 -12.704 -8.674 -9.688 1.00 52.12 H new ATOM 0 HB2 HIS A 69 -13.247 -10.929 -9.013 1.00 52.35 H new ATOM 0 HB3 HIS A 69 -14.153 -9.783 -8.046 1.00 52.35 H new ATOM 0 HD2 HIS A 69 -16.982 -9.645 -8.762 1.00 0.34 H new ATOM 0 HE1 HIS A 69 -16.937 -13.438 -10.655 1.00 32.22 H new ATOM 0 HE2 HIS A 69 -18.420 -11.592 -9.723 1.00 14.21 H new ATOM 1079 N HIS A 70 -12.367 -10.177 -11.754 1.00 21.22 N ATOM 1080 CA HIS A 70 -12.121 -10.677 -13.099 1.00 63.45 C ATOM 1081 C HIS A 70 -11.495 -12.067 -13.039 1.00 75.25 C ATOM 1082 O HIS A 70 -10.265 -12.178 -13.201 1.00 37.07 O ATOM 1083 CB HIS A 70 -11.206 -9.710 -13.857 1.00 24.14 C ATOM 1084 CG HIS A 70 -11.223 -9.886 -15.348 1.00 52.23 C ATOM 1085 ND1 HIS A 70 -10.232 -10.541 -16.044 1.00 62.54 N ATOM 1086 CD2 HIS A 70 -12.110 -9.458 -16.277 1.00 4.33 C ATOM 1087 CE1 HIS A 70 -10.504 -10.503 -17.335 1.00 71.42 C ATOM 1088 NE2 HIS A 70 -11.641 -9.851 -17.504 1.00 71.42 N ATOM 1089 OXT HIS A 70 -12.234 -13.043 -12.799 1.00 37.07 O ATOM 0 H HIS A 70 -11.591 -10.303 -11.104 1.00 21.22 H new ATOM 0 HA HIS A 70 -13.071 -10.749 -13.629 1.00 63.45 H new ATOM 0 HB2 HIS A 70 -11.501 -8.688 -13.620 1.00 24.14 H new ATOM 0 HB3 HIS A 70 -10.184 -9.838 -13.499 1.00 24.14 H new ATOM 0 HD2 HIS A 70 -13.020 -8.908 -16.087 1.00 4.33 H new ATOM 0 HE1 HIS A 70 -9.900 -10.932 -18.120 1.00 71.42 H new ATOM 0 HE2 HIS A 70 -12.095 -9.670 -18.399 1.00 71.42 H new TER 1098 HIS A 70