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 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Set 1.2: A 52 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 13 ASN : amide:sc= 0.289 K(o=1.4,f=0.26) USER MOD Set 2.2: A 16 SER OG : rot 162:sc= 1.07 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -129:sc= 1.24 (180deg=-0.0462) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -1.02 K(o=-1,f=0.097) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot -24:sc= 0.485 USER MOD Single : A 21 ASN : amide:sc= 0.296 K(o=0.3,f=-3) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 32 GLN : amide:sc= -0.269 K(o=-0.27,f=-3.2!) USER MOD Single : A 33 LYS NZ :NH3+ -138:sc= -1.34 (180deg=-3.42!) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 SER OG : rot -16:sc= 0.754 USER MOD Single : A 40 ASN : amide:sc= 0 K(o=0,f=-2.2!) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 128:sc= -1.36! USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.35 X(o=-0.35,f=-0.14) USER MOD Single : A 51 GLN : amide:sc= 0.852 K(o=0.85,f=-4.5!) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0.111 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 140:sc= -0.0537 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 HIS : no HE2:sc= 1.15 K(o=1.2,f=-4.6!) USER MOD Single : A 66 HIS : no HD1:sc= -0.973 K(o=-0.97,f=0) USER MOD Single : A 67 HIS : no HD1:sc= 0 X(o=0,f=0) 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 X(o=0,f=0) USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 14.481 7.652 -11.178 1.00 32.34 N ATOM 2 CA MET A 1 13.669 8.614 -10.399 1.00 35.55 C ATOM 3 C MET A 1 12.371 8.944 -11.131 1.00 12.21 C ATOM 4 O MET A 1 12.396 9.465 -12.247 1.00 70.23 O ATOM 5 CB MET A 1 14.463 9.900 -10.110 1.00 31.13 C ATOM 6 CG MET A 1 14.906 10.672 -11.349 1.00 31.54 C ATOM 7 SD MET A 1 16.193 9.825 -12.287 1.00 73.03 S ATOM 8 CE MET A 1 16.377 10.932 -13.683 1.00 61.12 C ATOM 0 H1 MET A 1 14.758 6.857 -10.567 1.00 32.34 H new ATOM 0 H2 MET A 1 13.922 7.295 -11.979 1.00 32.34 H new ATOM 0 H3 MET A 1 15.334 8.127 -11.535 1.00 32.34 H new ATOM 0 HA MET A 1 13.420 8.146 -9.447 1.00 35.55 H new ATOM 0 HB2 MET A 1 13.852 10.556 -9.490 1.00 31.13 H new ATOM 0 HB3 MET A 1 15.346 9.641 -9.526 1.00 31.13 H new ATOM 0 HG2 MET A 1 14.043 10.837 -11.994 1.00 31.54 H new ATOM 0 HG3 MET A 1 15.271 11.654 -11.047 1.00 31.54 H new ATOM 0 HE1 MET A 1 17.141 10.544 -14.357 1.00 61.12 H new ATOM 0 HE2 MET A 1 15.428 11.008 -14.215 1.00 61.12 H new ATOM 0 HE3 MET A 1 16.674 11.919 -13.328 1.00 61.12 H new ATOM 20 N ILE A 2 11.250 8.619 -10.487 1.00 1.13 N ATOM 21 CA ILE A 2 9.906 8.912 -10.998 1.00 45.14 C ATOM 22 C ILE A 2 9.732 8.451 -12.449 1.00 62.15 C ATOM 23 O ILE A 2 9.964 9.210 -13.392 1.00 44.21 O ATOM 24 CB ILE A 2 9.542 10.420 -10.879 1.00 22.01 C ATOM 25 CG1 ILE A 2 9.580 10.894 -9.418 1.00 30.22 C ATOM 26 CG2 ILE A 2 8.159 10.689 -11.465 1.00 54.03 C ATOM 27 CD1 ILE A 2 10.969 11.204 -8.891 1.00 60.15 C ATOM 0 H ILE A 2 11.247 8.140 -9.586 1.00 1.13 H new ATOM 0 HA ILE A 2 9.220 8.346 -10.368 1.00 45.14 H new ATOM 0 HB ILE A 2 10.288 10.978 -11.444 1.00 22.01 H new ATOM 0 HG12 ILE A 2 8.962 11.787 -9.323 1.00 30.22 H new ATOM 0 HG13 ILE A 2 9.130 10.126 -8.789 1.00 30.22 H new ATOM 0 HG21 ILE A 2 7.924 11.749 -11.372 1.00 54.03 H new ATOM 0 HG22 ILE A 2 8.149 10.406 -12.518 1.00 54.03 H new ATOM 0 HG23 ILE A 2 7.415 10.104 -10.925 1.00 54.03 H new ATOM 0 HD11 ILE A 2 10.900 11.531 -7.853 1.00 60.15 H new ATOM 0 HD12 ILE A 2 11.588 10.309 -8.949 1.00 60.15 H new ATOM 0 HD13 ILE A 2 11.418 11.995 -9.492 1.00 60.15 H new ATOM 39 N GLY A 3 9.333 7.200 -12.624 1.00 4.44 N ATOM 40 CA GLY A 3 9.069 6.696 -13.954 1.00 61.13 C ATOM 41 C GLY A 3 7.732 7.178 -14.472 1.00 22.10 C ATOM 42 O GLY A 3 7.487 7.178 -15.680 1.00 51.03 O ATOM 0 H GLY A 3 9.188 6.527 -11.871 1.00 4.44 H new ATOM 0 HA2 GLY A 3 9.861 7.018 -14.631 1.00 61.13 H new ATOM 0 HA3 GLY A 3 9.085 5.606 -13.941 1.00 61.13 H new ATOM 46 N ASP A 4 6.875 7.593 -13.536 1.00 43.25 N ATOM 47 CA ASP A 4 5.550 8.124 -13.855 1.00 22.20 C ATOM 48 C ASP A 4 4.692 7.042 -14.518 1.00 62.41 C ATOM 49 O ASP A 4 3.963 7.291 -15.478 1.00 34.12 O ATOM 50 CB ASP A 4 5.677 9.371 -14.744 1.00 52.23 C ATOM 51 CG ASP A 4 4.361 10.098 -14.935 1.00 15.22 C ATOM 52 OD1 ASP A 4 3.625 10.279 -13.946 1.00 11.22 O ATOM 53 OD2 ASP A 4 4.053 10.490 -16.083 1.00 34.42 O ATOM 0 H ASP A 4 7.081 7.570 -12.537 1.00 43.25 H new ATOM 0 HA ASP A 4 5.052 8.424 -12.933 1.00 22.20 H new ATOM 0 HB2 ASP A 4 6.402 10.054 -14.301 1.00 52.23 H new ATOM 0 HB3 ASP A 4 6.069 9.078 -15.718 1.00 52.23 H new ATOM 58 N TYR A 5 4.793 5.829 -13.986 1.00 21.34 N ATOM 59 CA TYR A 5 4.014 4.708 -14.484 1.00 12.53 C ATOM 60 C TYR A 5 2.604 4.739 -13.914 1.00 31.33 C ATOM 61 O TYR A 5 2.359 4.282 -12.797 1.00 72.32 O ATOM 62 CB TYR A 5 4.686 3.379 -14.131 1.00 31.11 C ATOM 63 CG TYR A 5 6.046 3.196 -14.764 1.00 64.12 C ATOM 64 CD1 TYR A 5 6.164 2.806 -16.092 1.00 54.11 C ATOM 65 CD2 TYR A 5 7.208 3.400 -14.034 1.00 74.44 C ATOM 66 CE1 TYR A 5 7.404 2.629 -16.675 1.00 2.13 C ATOM 67 CE2 TYR A 5 8.451 3.225 -14.609 1.00 15.32 C ATOM 68 CZ TYR A 5 8.544 2.839 -15.929 1.00 51.31 C ATOM 69 OH TYR A 5 9.782 2.668 -16.507 1.00 71.53 O ATOM 0 H TYR A 5 5.410 5.599 -13.207 1.00 21.34 H new ATOM 0 HA TYR A 5 3.959 4.796 -15.569 1.00 12.53 H new ATOM 0 HB2 TYR A 5 4.788 3.310 -13.048 1.00 31.11 H new ATOM 0 HB3 TYR A 5 4.037 2.560 -14.443 1.00 31.11 H new ATOM 0 HD1 TYR A 5 5.272 2.639 -16.678 1.00 54.11 H new ATOM 0 HD2 TYR A 5 7.139 3.701 -12.999 1.00 74.44 H new ATOM 0 HE1 TYR A 5 7.480 2.328 -17.709 1.00 2.13 H new ATOM 0 HE2 TYR A 5 9.346 3.390 -14.027 1.00 15.32 H new ATOM 0 HH TYR A 5 10.481 2.857 -15.846 1.00 71.53 H new ATOM 79 N TYR A 6 1.687 5.311 -14.676 1.00 61.11 N ATOM 80 CA TYR A 6 0.287 5.358 -14.290 1.00 13.22 C ATOM 81 C TYR A 6 -0.310 3.957 -14.327 1.00 63.32 C ATOM 82 O TYR A 6 -0.222 3.262 -15.339 1.00 12.50 O ATOM 83 CB TYR A 6 -0.500 6.301 -15.217 1.00 45.32 C ATOM 84 CG TYR A 6 -0.379 5.967 -16.694 1.00 44.23 C ATOM 85 CD1 TYR A 6 0.766 6.298 -17.406 1.00 3.12 C ATOM 86 CD2 TYR A 6 -1.406 5.318 -17.373 1.00 73.14 C ATOM 87 CE1 TYR A 6 0.889 5.997 -18.745 1.00 21.05 C ATOM 88 CE2 TYR A 6 -1.289 5.011 -18.717 1.00 3.51 C ATOM 89 CZ TYR A 6 -0.139 5.354 -19.396 1.00 14.32 C ATOM 90 OH TYR A 6 -0.015 5.052 -20.734 1.00 30.52 O ATOM 0 H TYR A 6 1.890 5.753 -15.573 1.00 61.11 H new ATOM 0 HA TYR A 6 0.218 5.745 -13.273 1.00 13.22 H new ATOM 0 HB2 TYR A 6 -1.553 6.274 -14.935 1.00 45.32 H new ATOM 0 HB3 TYR A 6 -0.153 7.322 -15.057 1.00 45.32 H new ATOM 0 HD1 TYR A 6 1.577 6.802 -16.900 1.00 3.12 H new ATOM 0 HD2 TYR A 6 -2.308 5.050 -16.843 1.00 73.14 H new ATOM 0 HE1 TYR A 6 1.788 6.264 -19.281 1.00 21.05 H new ATOM 0 HE2 TYR A 6 -2.093 4.506 -19.231 1.00 3.51 H new ATOM 0 HH TYR A 6 -0.826 4.598 -21.043 1.00 30.52 H new ATOM 100 N ILE A 7 -0.876 3.530 -13.210 1.00 34.22 N ATOM 101 CA ILE A 7 -1.511 2.225 -13.141 1.00 53.14 C ATOM 102 C ILE A 7 -2.880 2.280 -13.808 1.00 52.04 C ATOM 103 O ILE A 7 -3.062 1.757 -14.908 1.00 53.13 O ATOM 104 CB ILE A 7 -1.672 1.715 -11.686 1.00 32.43 C ATOM 105 CG1 ILE A 7 -0.311 1.513 -11.003 1.00 61.11 C ATOM 106 CG2 ILE A 7 -2.464 0.416 -11.661 1.00 52.50 C ATOM 107 CD1 ILE A 7 0.335 2.789 -10.511 1.00 34.53 C ATOM 0 H ILE A 7 -0.909 4.066 -12.342 1.00 34.22 H new ATOM 0 HA ILE A 7 -0.858 1.526 -13.664 1.00 53.14 H new ATOM 0 HB ILE A 7 -2.218 2.478 -11.131 1.00 32.43 H new ATOM 0 HG12 ILE A 7 -0.439 0.835 -10.159 1.00 61.11 H new ATOM 0 HG13 ILE A 7 0.365 1.024 -11.704 1.00 61.11 H new ATOM 0 HG21 ILE A 7 -2.567 0.073 -10.632 1.00 52.50 H new ATOM 0 HG22 ILE A 7 -3.453 0.584 -12.088 1.00 52.50 H new ATOM 0 HG23 ILE A 7 -1.940 -0.341 -12.245 1.00 52.50 H new ATOM 0 HD11 ILE A 7 1.291 2.556 -10.042 1.00 34.53 H new ATOM 0 HD12 ILE A 7 0.498 3.462 -11.353 1.00 34.53 H new ATOM 0 HD13 ILE A 7 -0.318 3.270 -9.783 1.00 34.53 H new ATOM 119 N ASN A 8 -3.827 2.939 -13.133 1.00 20.21 N ATOM 120 CA ASN A 8 -5.204 3.092 -13.614 1.00 32.41 C ATOM 121 C ASN A 8 -5.954 1.760 -13.579 1.00 41.21 C ATOM 122 O ASN A 8 -6.957 1.643 -12.879 1.00 15.34 O ATOM 123 CB ASN A 8 -5.239 3.718 -15.018 1.00 64.15 C ATOM 124 CG ASN A 8 -6.651 3.923 -15.541 1.00 70.41 C ATOM 125 OD1 ASN A 8 -7.343 4.861 -15.145 1.00 32.15 O ATOM 126 ND2 ASN A 8 -7.071 3.077 -16.467 1.00 64.14 N ATOM 0 H ASN A 8 -3.659 3.384 -12.231 1.00 20.21 H new ATOM 0 HA ASN A 8 -5.716 3.776 -12.937 1.00 32.41 H new ATOM 0 HB2 ASN A 8 -4.723 4.678 -14.995 1.00 64.15 H new ATOM 0 HB3 ASN A 8 -4.691 3.078 -15.709 1.00 64.15 H new ATOM 0 HD21 ASN A 8 -7.997 3.190 -16.879 1.00 64.14 H new ATOM 0 HD22 ASN A 8 -6.468 2.312 -16.770 1.00 64.14 H new ATOM 133 N ALA A 9 -5.451 0.771 -14.324 1.00 72.13 N ATOM 134 CA ALA A 9 -6.021 -0.579 -14.350 1.00 24.52 C ATOM 135 C ALA A 9 -7.524 -0.541 -14.607 1.00 72.22 C ATOM 136 O ALA A 9 -8.293 -1.267 -13.974 1.00 54.30 O ATOM 137 CB ALA A 9 -5.709 -1.305 -13.048 1.00 65.23 C ATOM 0 H ALA A 9 -4.636 0.884 -14.927 1.00 72.13 H new ATOM 0 HA ALA A 9 -5.563 -1.128 -15.173 1.00 24.52 H new ATOM 0 HB1 ALA A 9 -6.137 -2.307 -13.078 1.00 65.23 H new ATOM 0 HB2 ALA A 9 -4.629 -1.376 -12.921 1.00 65.23 H new ATOM 0 HB3 ALA A 9 -6.137 -0.753 -12.212 1.00 65.23 H new ATOM 143 N SER A 10 -7.921 0.320 -15.546 1.00 34.02 N ATOM 144 CA SER A 10 -9.321 0.540 -15.904 1.00 5.31 C ATOM 145 C SER A 10 -10.066 1.316 -14.810 1.00 5.00 C ATOM 146 O SER A 10 -10.866 2.203 -15.115 1.00 2.11 O ATOM 147 CB SER A 10 -10.032 -0.785 -16.210 1.00 55.21 C ATOM 148 OG SER A 10 -11.310 -0.561 -16.786 1.00 53.23 O ATOM 0 H SER A 10 -7.270 0.891 -16.085 1.00 34.02 H new ATOM 0 HA SER A 10 -9.332 1.147 -16.810 1.00 5.31 H new ATOM 0 HB2 SER A 10 -9.422 -1.379 -16.891 1.00 55.21 H new ATOM 0 HB3 SER A 10 -10.140 -1.363 -15.292 1.00 55.21 H new ATOM 0 HG SER A 10 -11.740 -1.422 -16.972 1.00 53.23 H new ATOM 154 N ALA A 11 -9.793 0.993 -13.546 1.00 21.33 N ATOM 155 CA ALA A 11 -10.433 1.662 -12.418 1.00 60.13 C ATOM 156 C ALA A 11 -9.732 1.322 -11.105 1.00 43.43 C ATOM 157 O ALA A 11 -9.181 2.199 -10.437 1.00 33.23 O ATOM 158 CB ALA A 11 -11.904 1.278 -12.336 1.00 70.33 C ATOM 0 H ALA A 11 -9.128 0.267 -13.279 1.00 21.33 H new ATOM 0 HA ALA A 11 -10.354 2.737 -12.580 1.00 60.13 H new ATOM 0 HB1 ALA A 11 -12.366 1.786 -11.489 1.00 70.33 H new ATOM 0 HB2 ALA A 11 -12.409 1.573 -13.256 1.00 70.33 H new ATOM 0 HB3 ALA A 11 -11.992 0.200 -12.204 1.00 70.33 H new ATOM 164 N LEU A 12 -9.736 0.040 -10.754 1.00 54.10 N ATOM 165 CA LEU A 12 -9.241 -0.406 -9.459 1.00 73.24 C ATOM 166 C LEU A 12 -7.722 -0.542 -9.454 1.00 73.03 C ATOM 167 O LEU A 12 -7.143 -1.202 -10.312 1.00 21.21 O ATOM 168 CB LEU A 12 -9.879 -1.748 -9.087 1.00 13.03 C ATOM 169 CG LEU A 12 -11.408 -1.748 -8.980 1.00 23.10 C ATOM 170 CD1 LEU A 12 -11.923 -3.158 -8.731 1.00 43.51 C ATOM 171 CD2 LEU A 12 -11.869 -0.811 -7.875 1.00 70.44 C ATOM 0 H LEU A 12 -10.079 -0.711 -11.353 1.00 54.10 H new ATOM 0 HA LEU A 12 -9.516 0.349 -8.722 1.00 73.24 H new ATOM 0 HB2 LEU A 12 -9.585 -2.488 -9.831 1.00 13.03 H new ATOM 0 HB3 LEU A 12 -9.466 -2.074 -8.132 1.00 13.03 H new ATOM 0 HG LEU A 12 -11.818 -1.391 -9.925 1.00 23.10 H new ATOM 0 HD11 LEU A 12 -13.010 -3.141 -8.658 1.00 43.51 H new ATOM 0 HD12 LEU A 12 -11.625 -3.805 -9.556 1.00 43.51 H new ATOM 0 HD13 LEU A 12 -11.503 -3.540 -7.801 1.00 43.51 H new ATOM 0 HD21 LEU A 12 -12.957 -0.826 -7.816 1.00 70.44 H new ATOM 0 HD22 LEU A 12 -11.449 -1.137 -6.923 1.00 70.44 H new ATOM 0 HD23 LEU A 12 -11.531 0.202 -8.093 1.00 70.44 H new ATOM 183 N ASN A 13 -7.086 0.061 -8.456 1.00 41.54 N ATOM 184 CA ASN A 13 -5.633 -0.005 -8.307 1.00 12.20 C ATOM 185 C ASN A 13 -5.235 -1.290 -7.576 1.00 21.30 C ATOM 186 O ASN A 13 -4.080 -1.512 -7.255 1.00 5.43 O ATOM 187 CB ASN A 13 -5.128 1.229 -7.551 1.00 3.15 C ATOM 188 CG ASN A 13 -3.630 1.436 -7.689 1.00 65.34 C ATOM 189 OD1 ASN A 13 -3.168 2.045 -8.653 1.00 1.31 O ATOM 190 ND2 ASN A 13 -2.867 0.946 -6.726 1.00 52.01 N ATOM 0 H ASN A 13 -7.556 0.605 -7.732 1.00 41.54 H new ATOM 0 HA ASN A 13 -5.173 -0.017 -9.295 1.00 12.20 H new ATOM 0 HB2 ASN A 13 -5.647 2.113 -7.921 1.00 3.15 H new ATOM 0 HB3 ASN A 13 -5.380 1.130 -6.495 1.00 3.15 H new ATOM 0 HD21 ASN A 13 -1.855 1.067 -6.766 1.00 52.01 H new ATOM 0 HD22 ASN A 13 -3.291 0.447 -5.944 1.00 52.01 H new ATOM 197 N VAL A 14 -6.218 -2.149 -7.349 1.00 21.11 N ATOM 198 CA VAL A 14 -6.031 -3.380 -6.567 1.00 30.34 C ATOM 199 C VAL A 14 -5.031 -4.365 -7.192 1.00 65.33 C ATOM 200 O VAL A 14 -4.741 -5.402 -6.598 1.00 31.41 O ATOM 201 CB VAL A 14 -7.367 -4.129 -6.361 1.00 20.13 C ATOM 202 CG1 VAL A 14 -8.354 -3.278 -5.584 1.00 14.14 C ATOM 203 CG2 VAL A 14 -7.962 -4.553 -7.698 1.00 74.53 C ATOM 0 H VAL A 14 -7.168 -2.020 -7.697 1.00 21.11 H new ATOM 0 HA VAL A 14 -5.628 -3.039 -5.614 1.00 30.34 H new ATOM 0 HB VAL A 14 -7.161 -5.026 -5.778 1.00 20.13 H new ATOM 0 HG11 VAL A 14 -9.285 -3.829 -5.453 1.00 14.14 H new ATOM 0 HG12 VAL A 14 -7.935 -3.036 -4.607 1.00 14.14 H new ATOM 0 HG13 VAL A 14 -8.551 -2.357 -6.133 1.00 14.14 H new ATOM 0 HG21 VAL A 14 -8.902 -5.078 -7.528 1.00 74.53 H new ATOM 0 HG22 VAL A 14 -8.145 -3.670 -8.311 1.00 74.53 H new ATOM 0 HG23 VAL A 14 -7.265 -5.214 -8.213 1.00 74.53 H new ATOM 213 N ARG A 15 -4.503 -4.055 -8.370 1.00 12.44 N ATOM 214 CA ARG A 15 -3.545 -4.945 -9.018 1.00 23.51 C ATOM 215 C ARG A 15 -2.219 -4.234 -9.272 1.00 43.11 C ATOM 216 O ARG A 15 -1.157 -4.798 -9.025 1.00 21.42 O ATOM 217 CB ARG A 15 -4.112 -5.495 -10.325 1.00 33.01 C ATOM 218 CG ARG A 15 -5.432 -6.226 -10.151 1.00 70.00 C ATOM 219 CD ARG A 15 -5.830 -6.977 -11.409 1.00 23.14 C ATOM 220 NE ARG A 15 -5.817 -6.123 -12.598 1.00 11.21 N ATOM 221 CZ ARG A 15 -6.785 -6.111 -13.513 1.00 10.24 C ATOM 222 NH1 ARG A 15 -7.905 -6.798 -13.307 1.00 74.05 N ATOM 223 NH2 ARG A 15 -6.646 -5.385 -14.613 1.00 33.31 N ATOM 0 H ARG A 15 -4.718 -3.205 -8.892 1.00 12.44 H new ATOM 0 HA ARG A 15 -3.360 -5.780 -8.343 1.00 23.51 H new ATOM 0 HB2 ARG A 15 -4.251 -4.672 -11.027 1.00 33.01 H new ATOM 0 HB3 ARG A 15 -3.385 -6.174 -10.770 1.00 33.01 H new ATOM 0 HG2 ARG A 15 -5.353 -6.926 -9.319 1.00 70.00 H new ATOM 0 HG3 ARG A 15 -6.213 -5.510 -9.892 1.00 70.00 H new ATOM 0 HD2 ARG A 15 -5.149 -7.815 -11.559 1.00 23.14 H new ATOM 0 HD3 ARG A 15 -6.827 -7.397 -11.278 1.00 23.14 H new ATOM 0 HE ARG A 15 -5.020 -5.501 -12.734 1.00 11.21 H new ATOM 0 HH11 ARG A 15 -8.023 -7.335 -12.448 1.00 74.05 H new ATOM 0 HH12 ARG A 15 -8.646 -6.788 -14.008 1.00 74.05 H new ATOM 0 HH21 ARG A 15 -5.799 -4.836 -14.758 1.00 33.31 H new ATOM 0 HH22 ARG A 15 -7.386 -5.375 -15.314 1.00 33.31 H new ATOM 237 N SER A 16 -2.288 -3.013 -9.799 1.00 65.15 N ATOM 238 CA SER A 16 -1.108 -2.152 -9.954 1.00 43.21 C ATOM 239 C SER A 16 -0.069 -2.709 -10.939 1.00 52.12 C ATOM 240 O SER A 16 0.993 -2.106 -11.118 1.00 12.44 O ATOM 241 CB SER A 16 -0.454 -1.934 -8.588 1.00 51.12 C ATOM 242 OG SER A 16 -1.337 -1.284 -7.700 1.00 50.15 O ATOM 0 H SER A 16 -3.156 -2.591 -10.130 1.00 65.15 H new ATOM 0 HA SER A 16 -1.460 -1.209 -10.372 1.00 43.21 H new ATOM 0 HB2 SER A 16 -0.153 -2.894 -8.168 1.00 51.12 H new ATOM 0 HB3 SER A 16 0.452 -1.339 -8.706 1.00 51.12 H new ATOM 0 HG SER A 16 -1.029 -1.414 -6.779 1.00 50.15 H new ATOM 248 N GLY A 17 -0.379 -3.828 -11.591 1.00 74.11 N ATOM 249 CA GLY A 17 0.574 -4.457 -12.495 1.00 13.52 C ATOM 250 C GLY A 17 1.889 -4.790 -11.806 1.00 51.43 C ATOM 251 O GLY A 17 1.951 -5.699 -10.974 1.00 24.31 O ATOM 0 H GLY A 17 -1.274 -4.311 -11.510 1.00 74.11 H new ATOM 0 HA2 GLY A 17 0.138 -5.369 -12.902 1.00 13.52 H new ATOM 0 HA3 GLY A 17 0.766 -3.792 -13.337 1.00 13.52 H new ATOM 255 N GLU A 18 2.939 -4.058 -12.162 1.00 65.34 N ATOM 256 CA GLU A 18 4.235 -4.191 -11.514 1.00 14.52 C ATOM 257 C GLU A 18 5.040 -2.911 -11.719 1.00 1.14 C ATOM 258 O GLU A 18 4.802 -2.171 -12.677 1.00 42.33 O ATOM 259 CB GLU A 18 5.006 -5.396 -12.067 1.00 42.52 C ATOM 260 CG GLU A 18 6.247 -5.741 -11.261 1.00 50.43 C ATOM 261 CD GLU A 18 7.049 -6.868 -11.875 1.00 11.33 C ATOM 262 OE1 GLU A 18 6.663 -8.045 -11.694 1.00 11.13 O ATOM 263 OE2 GLU A 18 8.066 -6.584 -12.541 1.00 32.13 O ATOM 0 H GLU A 18 2.914 -3.359 -12.905 1.00 65.34 H new ATOM 0 HA GLU A 18 4.077 -4.355 -10.448 1.00 14.52 H new ATOM 0 HB2 GLU A 18 4.344 -6.262 -12.089 1.00 42.52 H new ATOM 0 HB3 GLU A 18 5.297 -5.190 -13.097 1.00 42.52 H new ATOM 0 HG2 GLU A 18 6.878 -4.856 -11.177 1.00 50.43 H new ATOM 0 HG3 GLU A 18 5.952 -6.020 -10.249 1.00 50.43 H new ATOM 270 N GLY A 19 5.970 -2.641 -10.816 1.00 71.43 N ATOM 271 CA GLY A 19 6.781 -1.447 -10.927 1.00 32.22 C ATOM 272 C GLY A 19 7.905 -1.421 -9.917 1.00 11.43 C ATOM 273 O GLY A 19 8.575 -2.428 -9.696 1.00 50.30 O ATOM 0 H GLY A 19 6.178 -3.228 -10.008 1.00 71.43 H new ATOM 0 HA2 GLY A 19 7.198 -1.386 -11.932 1.00 32.22 H new ATOM 0 HA3 GLY A 19 6.151 -0.568 -10.789 1.00 32.22 H new ATOM 277 N THR A 20 8.100 -0.270 -9.291 1.00 55.22 N ATOM 278 CA THR A 20 9.159 -0.095 -8.306 1.00 33.00 C ATOM 279 C THR A 20 8.835 -0.822 -6.998 1.00 23.11 C ATOM 280 O THR A 20 9.674 -0.915 -6.101 1.00 44.43 O ATOM 281 CB THR A 20 9.425 1.405 -8.045 1.00 50.33 C ATOM 282 OG1 THR A 20 10.386 1.576 -6.995 1.00 75.42 O ATOM 283 CG2 THR A 20 8.138 2.134 -7.691 1.00 10.14 C ATOM 0 H THR A 20 7.534 0.564 -9.449 1.00 55.22 H new ATOM 0 HA THR A 20 10.066 -0.539 -8.717 1.00 33.00 H new ATOM 0 HB THR A 20 9.826 1.834 -8.963 1.00 50.33 H new ATOM 0 HG1 THR A 20 10.391 0.780 -6.423 1.00 75.42 H new ATOM 0 HG21 THR A 20 8.354 3.187 -7.512 1.00 10.14 H new ATOM 0 HG22 THR A 20 7.430 2.043 -8.515 1.00 10.14 H new ATOM 0 HG23 THR A 20 7.706 1.694 -6.792 1.00 10.14 H new ATOM 291 N ASN A 21 7.620 -1.334 -6.898 1.00 15.01 N ATOM 292 CA ASN A 21 7.242 -2.190 -5.785 1.00 12.22 C ATOM 293 C ASN A 21 6.457 -3.375 -6.319 1.00 62.11 C ATOM 294 O ASN A 21 5.642 -3.224 -7.224 1.00 61.21 O ATOM 295 CB ASN A 21 6.422 -1.429 -4.738 1.00 12.12 C ATOM 296 CG ASN A 21 6.098 -2.288 -3.527 1.00 10.22 C ATOM 297 OD1 ASN A 21 6.825 -3.226 -3.201 1.00 23.04 O ATOM 298 ND2 ASN A 21 5.003 -1.985 -2.857 1.00 32.24 N ATOM 0 H ASN A 21 6.876 -1.171 -7.576 1.00 15.01 H new ATOM 0 HA ASN A 21 8.148 -2.539 -5.289 1.00 12.22 H new ATOM 0 HB2 ASN A 21 6.975 -0.546 -4.417 1.00 12.12 H new ATOM 0 HB3 ASN A 21 5.495 -1.077 -5.191 1.00 12.12 H new ATOM 0 HD21 ASN A 21 4.736 -2.535 -2.041 1.00 32.24 H new ATOM 0 HD22 ASN A 21 4.423 -1.200 -3.155 1.00 32.24 H new ATOM 305 N TYR A 22 6.723 -4.554 -5.783 1.00 12.14 N ATOM 306 CA TYR A 22 6.076 -5.769 -6.264 1.00 63.12 C ATOM 307 C TYR A 22 4.897 -6.127 -5.363 1.00 74.40 C ATOM 308 O TYR A 22 4.021 -6.909 -5.724 1.00 51.51 O ATOM 309 CB TYR A 22 7.101 -6.901 -6.314 1.00 42.10 C ATOM 310 CG TYR A 22 8.435 -6.453 -6.884 1.00 11.02 C ATOM 311 CD1 TYR A 22 8.506 -5.760 -8.090 1.00 51.43 C ATOM 312 CD2 TYR A 22 9.619 -6.696 -6.199 1.00 3.24 C ATOM 313 CE1 TYR A 22 9.716 -5.332 -8.595 1.00 21.22 C ATOM 314 CE2 TYR A 22 10.833 -6.265 -6.700 1.00 15.23 C ATOM 315 CZ TYR A 22 10.875 -5.585 -7.899 1.00 3.11 C ATOM 316 OH TYR A 22 12.080 -5.148 -8.402 1.00 31.12 O ATOM 0 H TYR A 22 7.380 -4.699 -5.017 1.00 12.14 H new ATOM 0 HA TYR A 22 5.688 -5.608 -7.270 1.00 63.12 H new ATOM 0 HB2 TYR A 22 7.253 -7.294 -5.309 1.00 42.10 H new ATOM 0 HB3 TYR A 22 6.707 -7.717 -6.919 1.00 42.10 H new ATOM 0 HD1 TYR A 22 7.599 -5.554 -8.639 1.00 51.43 H new ATOM 0 HD2 TYR A 22 9.590 -7.230 -5.261 1.00 3.24 H new ATOM 0 HE1 TYR A 22 9.753 -4.800 -9.534 1.00 21.22 H new ATOM 0 HE2 TYR A 22 11.745 -6.460 -6.155 1.00 15.23 H new ATOM 0 HH TYR A 22 12.802 -5.405 -7.791 1.00 31.12 H new ATOM 326 N ARG A 23 4.894 -5.518 -4.185 1.00 74.53 N ATOM 327 CA ARG A 23 3.782 -5.606 -3.244 1.00 12.11 C ATOM 328 C ARG A 23 2.777 -4.492 -3.523 1.00 32.22 C ATOM 329 O ARG A 23 1.853 -4.266 -2.749 1.00 62.44 O ATOM 330 CB ARG A 23 4.281 -5.547 -1.796 1.00 63.41 C ATOM 331 CG ARG A 23 4.924 -6.844 -1.334 1.00 51.21 C ATOM 332 CD ARG A 23 5.417 -6.760 0.104 1.00 15.25 C ATOM 333 NE ARG A 23 5.858 -8.063 0.597 1.00 21.24 N ATOM 334 CZ ARG A 23 7.117 -8.358 0.921 1.00 44.51 C ATOM 335 NH1 ARG A 23 8.070 -7.442 0.809 1.00 72.00 N ATOM 336 NH2 ARG A 23 7.419 -9.570 1.364 1.00 55.21 N ATOM 0 H ARG A 23 5.669 -4.944 -3.852 1.00 74.53 H new ATOM 0 HA ARG A 23 3.285 -6.566 -3.380 1.00 12.11 H new ATOM 0 HB2 ARG A 23 5.003 -4.736 -1.699 1.00 63.41 H new ATOM 0 HB3 ARG A 23 3.444 -5.309 -1.139 1.00 63.41 H new ATOM 0 HG2 ARG A 23 4.203 -7.657 -1.422 1.00 51.21 H new ATOM 0 HG3 ARG A 23 5.760 -7.087 -1.990 1.00 51.21 H new ATOM 0 HD2 ARG A 23 6.241 -6.049 0.166 1.00 15.25 H new ATOM 0 HD3 ARG A 23 4.619 -6.380 0.742 1.00 15.25 H new ATOM 0 HE ARG A 23 5.156 -8.796 0.700 1.00 21.24 H new ATOM 0 HH11 ARG A 23 7.841 -6.506 0.474 1.00 72.00 H new ATOM 0 HH12 ARG A 23 9.032 -7.673 1.058 1.00 72.00 H new ATOM 0 HH21 ARG A 23 6.688 -10.276 1.457 1.00 55.21 H new ATOM 0 HH22 ARG A 23 8.382 -9.797 1.612 1.00 55.21 H new ATOM 350 N ILE A 24 3.027 -3.772 -4.614 1.00 41.12 N ATOM 351 CA ILE A 24 2.252 -2.595 -5.023 1.00 70.14 C ATOM 352 C ILE A 24 0.738 -2.871 -5.177 1.00 64.13 C ATOM 353 O ILE A 24 -0.047 -1.941 -5.357 1.00 42.23 O ATOM 354 CB ILE A 24 2.820 -2.048 -6.359 1.00 23.55 C ATOM 355 CG1 ILE A 24 2.257 -0.664 -6.689 1.00 73.14 C ATOM 356 CG2 ILE A 24 2.544 -3.021 -7.497 1.00 45.25 C ATOM 357 CD1 ILE A 24 2.750 0.420 -5.760 1.00 22.15 C ATOM 0 H ILE A 24 3.790 -3.992 -5.255 1.00 41.12 H new ATOM 0 HA ILE A 24 2.351 -1.860 -4.224 1.00 70.14 H new ATOM 0 HB ILE A 24 3.898 -1.945 -6.239 1.00 23.55 H new ATOM 0 HG12 ILE A 24 2.526 -0.405 -7.713 1.00 73.14 H new ATOM 0 HG13 ILE A 24 1.169 -0.703 -6.645 1.00 73.14 H new ATOM 0 HG21 ILE A 24 2.950 -2.620 -8.425 1.00 45.25 H new ATOM 0 HG22 ILE A 24 3.016 -3.979 -7.279 1.00 45.25 H new ATOM 0 HG23 ILE A 24 1.468 -3.162 -7.602 1.00 45.25 H new ATOM 0 HD11 ILE A 24 2.312 1.375 -6.050 1.00 22.15 H new ATOM 0 HD12 ILE A 24 2.458 0.183 -4.737 1.00 22.15 H new ATOM 0 HD13 ILE A 24 3.836 0.485 -5.821 1.00 22.15 H new ATOM 369 N ILE A 25 0.331 -4.137 -5.125 1.00 61.45 N ATOM 370 CA ILE A 25 -1.086 -4.492 -5.218 1.00 12.34 C ATOM 371 C ILE A 25 -1.915 -3.857 -4.096 1.00 1.31 C ATOM 372 O ILE A 25 -1.520 -3.861 -2.930 1.00 44.10 O ATOM 373 CB ILE A 25 -1.307 -6.029 -5.212 1.00 1.30 C ATOM 374 CG1 ILE A 25 -0.214 -6.763 -4.427 1.00 63.11 C ATOM 375 CG2 ILE A 25 -1.374 -6.568 -6.629 1.00 32.05 C ATOM 376 CD1 ILE A 25 -0.274 -6.566 -2.932 1.00 13.14 C ATOM 0 H ILE A 25 0.959 -4.934 -5.019 1.00 61.45 H new ATOM 0 HA ILE A 25 -1.427 -4.094 -6.174 1.00 12.34 H new ATOM 0 HB ILE A 25 -2.259 -6.212 -4.713 1.00 1.30 H new ATOM 0 HG12 ILE A 25 -0.284 -7.829 -4.643 1.00 63.11 H new ATOM 0 HG13 ILE A 25 0.759 -6.428 -4.786 1.00 63.11 H new ATOM 0 HG21 ILE A 25 -1.529 -7.647 -6.601 1.00 32.05 H new ATOM 0 HG22 ILE A 25 -2.201 -6.096 -7.159 1.00 32.05 H new ATOM 0 HG23 ILE A 25 -0.440 -6.349 -7.146 1.00 32.05 H new ATOM 0 HD11 ILE A 25 0.536 -7.121 -2.459 1.00 13.14 H new ATOM 0 HD12 ILE A 25 -0.171 -5.506 -2.700 1.00 13.14 H new ATOM 0 HD13 ILE A 25 -1.230 -6.928 -2.555 1.00 13.14 H new ATOM 388 N GLY A 26 -3.065 -3.303 -4.458 1.00 32.35 N ATOM 389 CA GLY A 26 -3.968 -2.754 -3.460 1.00 1.12 C ATOM 390 C GLY A 26 -4.614 -1.439 -3.870 1.00 2.33 C ATOM 391 O GLY A 26 -4.029 -0.643 -4.601 1.00 40.52 O ATOM 0 H GLY A 26 -3.390 -3.223 -5.422 1.00 32.35 H new ATOM 0 HA2 GLY A 26 -4.751 -3.483 -3.253 1.00 1.12 H new ATOM 0 HA3 GLY A 26 -3.419 -2.603 -2.531 1.00 1.12 H new ATOM 395 N ALA A 27 -5.833 -1.217 -3.392 1.00 35.13 N ATOM 396 CA ALA A 27 -6.565 0.017 -3.647 1.00 42.31 C ATOM 397 C ALA A 27 -7.437 0.354 -2.443 1.00 62.45 C ATOM 398 O ALA A 27 -7.427 -0.375 -1.453 1.00 34.43 O ATOM 399 CB ALA A 27 -7.426 -0.110 -4.893 1.00 45.15 C ATOM 0 H ALA A 27 -6.342 -1.888 -2.816 1.00 35.13 H new ATOM 0 HA ALA A 27 -5.845 0.819 -3.811 1.00 42.31 H new ATOM 0 HB1 ALA A 27 -7.962 0.824 -5.062 1.00 45.15 H new ATOM 0 HB2 ALA A 27 -6.792 -0.325 -5.753 1.00 45.15 H new ATOM 0 HB3 ALA A 27 -8.142 -0.920 -4.759 1.00 45.15 H new ATOM 405 N LEU A 28 -8.197 1.441 -2.527 1.00 61.42 N ATOM 406 CA LEU A 28 -9.118 1.806 -1.455 1.00 62.40 C ATOM 407 C LEU A 28 -10.529 2.066 -1.981 1.00 11.33 C ATOM 408 O LEU A 28 -11.011 3.199 -1.935 1.00 44.42 O ATOM 409 CB LEU A 28 -8.624 3.046 -0.707 1.00 63.25 C ATOM 410 CG LEU A 28 -7.436 2.830 0.227 1.00 71.54 C ATOM 411 CD1 LEU A 28 -7.076 4.134 0.918 1.00 64.31 C ATOM 412 CD2 LEU A 28 -7.756 1.752 1.254 1.00 25.44 C ATOM 0 H LEU A 28 -8.194 2.081 -3.321 1.00 61.42 H new ATOM 0 HA LEU A 28 -9.153 0.958 -0.771 1.00 62.40 H new ATOM 0 HB2 LEU A 28 -8.352 3.805 -1.440 1.00 63.25 H new ATOM 0 HB3 LEU A 28 -9.452 3.449 -0.124 1.00 63.25 H new ATOM 0 HG LEU A 28 -6.581 2.498 -0.362 1.00 71.54 H new ATOM 0 HD11 LEU A 28 -6.228 3.971 1.583 1.00 64.31 H new ATOM 0 HD12 LEU A 28 -6.813 4.882 0.170 1.00 64.31 H new ATOM 0 HD13 LEU A 28 -7.929 4.486 1.498 1.00 64.31 H new ATOM 0 HD21 LEU A 28 -6.899 1.610 1.912 1.00 25.44 H new ATOM 0 HD22 LEU A 28 -8.620 2.057 1.844 1.00 25.44 H new ATOM 0 HD23 LEU A 28 -7.979 0.816 0.742 1.00 25.44 H new ATOM 424 N PRO A 29 -11.210 1.033 -2.506 1.00 2.01 N ATOM 425 CA PRO A 29 -12.590 1.156 -2.946 1.00 41.03 C ATOM 426 C PRO A 29 -13.559 0.932 -1.784 1.00 14.55 C ATOM 427 O PRO A 29 -14.391 1.786 -1.478 1.00 75.43 O ATOM 428 CB PRO A 29 -12.736 0.041 -3.997 1.00 61.13 C ATOM 429 CG PRO A 29 -11.457 -0.749 -3.961 1.00 30.24 C ATOM 430 CD PRO A 29 -10.710 -0.322 -2.726 1.00 50.31 C ATOM 0 HA PRO A 29 -12.819 2.146 -3.339 1.00 41.03 H new ATOM 0 HB2 PRO A 29 -13.592 -0.595 -3.771 1.00 61.13 H new ATOM 0 HB3 PRO A 29 -12.904 0.462 -4.988 1.00 61.13 H new ATOM 0 HG2 PRO A 29 -11.665 -1.819 -3.935 1.00 30.24 H new ATOM 0 HG3 PRO A 29 -10.863 -0.561 -4.855 1.00 30.24 H new ATOM 0 HD2 PRO A 29 -10.920 -0.975 -1.879 1.00 50.31 H new ATOM 0 HD3 PRO A 29 -9.631 -0.336 -2.879 1.00 50.31 H new ATOM 438 N GLN A 30 -13.416 -0.222 -1.140 1.00 30.42 N ATOM 439 CA GLN A 30 -14.218 -0.596 0.016 1.00 72.35 C ATOM 440 C GLN A 30 -13.805 -1.982 0.494 1.00 55.31 C ATOM 441 O GLN A 30 -13.683 -2.909 -0.308 1.00 45.25 O ATOM 442 CB GLN A 30 -15.711 -0.591 -0.324 1.00 74.23 C ATOM 443 CG GLN A 30 -16.593 -1.051 0.826 1.00 10.22 C ATOM 444 CD GLN A 30 -18.071 -1.002 0.497 1.00 24.15 C ATOM 445 OE1 GLN A 30 -18.473 -1.149 -0.655 1.00 51.42 O ATOM 446 NE2 GLN A 30 -18.892 -0.807 1.516 1.00 73.21 N ATOM 0 H GLN A 30 -12.733 -0.930 -1.410 1.00 30.42 H new ATOM 0 HA GLN A 30 -14.046 0.135 0.806 1.00 72.35 H new ATOM 0 HB2 GLN A 30 -16.006 0.416 -0.618 1.00 74.23 H new ATOM 0 HB3 GLN A 30 -15.882 -1.237 -1.185 1.00 74.23 H new ATOM 0 HG2 GLN A 30 -16.321 -2.071 1.099 1.00 10.22 H new ATOM 0 HG3 GLN A 30 -16.400 -0.425 1.697 1.00 10.22 H new ATOM 0 HE21 GLN A 30 -18.517 -0.689 2.457 1.00 73.21 H new ATOM 0 HE22 GLN A 30 -19.899 -0.774 1.360 1.00 73.21 H new ATOM 455 N GLY A 31 -13.566 -2.115 1.788 1.00 53.33 N ATOM 456 CA GLY A 31 -13.273 -3.417 2.343 1.00 41.03 C ATOM 457 C GLY A 31 -12.171 -3.390 3.376 1.00 74.51 C ATOM 458 O GLY A 31 -11.469 -2.387 3.529 1.00 15.11 O ATOM 0 H GLY A 31 -13.570 -1.349 2.461 1.00 53.33 H new ATOM 0 HA2 GLY A 31 -14.177 -3.823 2.796 1.00 41.03 H new ATOM 0 HA3 GLY A 31 -12.989 -4.093 1.536 1.00 41.03 H new ATOM 462 N GLN A 32 -12.020 -4.501 4.081 1.00 53.13 N ATOM 463 CA GLN A 32 -10.986 -4.644 5.096 1.00 21.43 C ATOM 464 C GLN A 32 -10.071 -5.820 4.766 1.00 23.20 C ATOM 465 O GLN A 32 -9.310 -6.292 5.612 1.00 13.14 O ATOM 466 CB GLN A 32 -11.613 -4.812 6.490 1.00 73.20 C ATOM 467 CG GLN A 32 -12.893 -5.646 6.520 1.00 63.52 C ATOM 468 CD GLN A 32 -12.711 -7.048 5.971 1.00 4.13 C ATOM 469 OE1 GLN A 32 -12.890 -7.282 4.779 1.00 34.20 O ATOM 470 NE2 GLN A 32 -12.354 -7.984 6.829 1.00 11.43 N ATOM 0 H GLN A 32 -12.608 -5.326 3.967 1.00 53.13 H new ATOM 0 HA GLN A 32 -10.384 -3.736 5.104 1.00 21.43 H new ATOM 0 HB2 GLN A 32 -10.879 -5.275 7.150 1.00 73.20 H new ATOM 0 HB3 GLN A 32 -11.830 -3.824 6.897 1.00 73.20 H new ATOM 0 HG2 GLN A 32 -13.252 -5.710 7.547 1.00 63.52 H new ATOM 0 HG3 GLN A 32 -13.664 -5.135 5.944 1.00 63.52 H new ATOM 0 HE21 GLN A 32 -12.215 -7.749 7.812 1.00 11.43 H new ATOM 0 HE22 GLN A 32 -12.217 -8.943 6.510 1.00 11.43 H new ATOM 479 N LYS A 33 -10.157 -6.289 3.524 1.00 34.14 N ATOM 480 CA LYS A 33 -9.311 -7.381 3.059 1.00 10.53 C ATOM 481 C LYS A 33 -7.869 -6.906 2.911 1.00 44.34 C ATOM 482 O LYS A 33 -6.930 -7.693 3.006 1.00 63.22 O ATOM 483 CB LYS A 33 -9.827 -7.940 1.726 1.00 62.45 C ATOM 484 CG LYS A 33 -9.872 -6.915 0.605 1.00 12.41 C ATOM 485 CD LYS A 33 -10.379 -7.510 -0.703 1.00 61.25 C ATOM 486 CE LYS A 33 -11.897 -7.679 -0.723 1.00 75.31 C ATOM 487 NZ LYS A 33 -12.371 -8.773 0.167 1.00 22.12 N ATOM 0 H LYS A 33 -10.804 -5.929 2.823 1.00 34.14 H new ATOM 0 HA LYS A 33 -9.344 -8.179 3.800 1.00 10.53 H new ATOM 0 HB2 LYS A 33 -9.190 -8.770 1.421 1.00 62.45 H new ATOM 0 HB3 LYS A 33 -10.828 -8.344 1.876 1.00 62.45 H new ATOM 0 HG2 LYS A 33 -10.517 -6.087 0.899 1.00 12.41 H new ATOM 0 HG3 LYS A 33 -8.874 -6.503 0.452 1.00 12.41 H new ATOM 0 HD2 LYS A 33 -10.078 -6.868 -1.531 1.00 61.25 H new ATOM 0 HD3 LYS A 33 -9.907 -8.479 -0.864 1.00 61.25 H new ATOM 0 HE2 LYS A 33 -12.365 -6.743 -0.420 1.00 75.31 H new ATOM 0 HE3 LYS A 33 -12.221 -7.882 -1.744 1.00 75.31 H new ATOM 0 HZ1 LYS A 33 -13.115 -9.315 -0.316 1.00 22.12 H new ATOM 0 HZ2 LYS A 33 -11.576 -9.404 0.396 1.00 22.12 H new ATOM 0 HZ3 LYS A 33 -12.753 -8.366 1.044 1.00 22.12 H new ATOM 501 N VAL A 34 -7.703 -5.608 2.697 1.00 44.22 N ATOM 502 CA VAL A 34 -6.381 -5.013 2.598 1.00 61.14 C ATOM 503 C VAL A 34 -6.330 -3.707 3.399 1.00 3.52 C ATOM 504 O VAL A 34 -5.873 -3.708 4.543 1.00 31.14 O ATOM 505 CB VAL A 34 -5.947 -4.812 1.113 1.00 50.12 C ATOM 506 CG1 VAL A 34 -7.045 -4.155 0.284 1.00 52.40 C ATOM 507 CG2 VAL A 34 -4.650 -4.016 1.025 1.00 64.03 C ATOM 0 H VAL A 34 -8.472 -4.946 2.589 1.00 44.22 H new ATOM 0 HA VAL A 34 -5.659 -5.703 3.034 1.00 61.14 H new ATOM 0 HB VAL A 34 -5.770 -5.802 0.692 1.00 50.12 H new ATOM 0 HG11 VAL A 34 -6.702 -4.033 -0.743 1.00 52.40 H new ATOM 0 HG12 VAL A 34 -7.936 -4.783 0.297 1.00 52.40 H new ATOM 0 HG13 VAL A 34 -7.284 -3.178 0.705 1.00 52.40 H new ATOM 0 HG21 VAL A 34 -4.370 -3.891 -0.021 1.00 64.03 H new ATOM 0 HG22 VAL A 34 -4.792 -3.037 1.483 1.00 64.03 H new ATOM 0 HG23 VAL A 34 -3.859 -4.551 1.550 1.00 64.03 H new ATOM 517 N GLN A 35 -6.834 -2.617 2.809 1.00 32.11 N ATOM 518 CA GLN A 35 -6.953 -1.321 3.482 1.00 51.01 C ATOM 519 C GLN A 35 -5.580 -0.713 3.815 1.00 35.21 C ATOM 520 O GLN A 35 -4.581 -1.418 3.978 1.00 52.04 O ATOM 521 CB GLN A 35 -7.813 -1.455 4.745 1.00 73.23 C ATOM 522 CG GLN A 35 -8.200 -0.128 5.376 1.00 15.33 C ATOM 523 CD GLN A 35 -9.196 -0.292 6.505 1.00 61.30 C ATOM 524 OE1 GLN A 35 -10.410 -0.253 6.291 1.00 72.11 O ATOM 525 NE2 GLN A 35 -8.694 -0.483 7.712 1.00 13.03 N ATOM 0 H GLN A 35 -7.172 -2.610 1.847 1.00 32.11 H new ATOM 0 HA GLN A 35 -7.444 -0.635 2.792 1.00 51.01 H new ATOM 0 HB2 GLN A 35 -8.721 -2.005 4.497 1.00 73.23 H new ATOM 0 HB3 GLN A 35 -7.270 -2.050 5.480 1.00 73.23 H new ATOM 0 HG2 GLN A 35 -7.305 0.366 5.754 1.00 15.33 H new ATOM 0 HG3 GLN A 35 -8.625 0.524 4.613 1.00 15.33 H new ATOM 0 HE21 GLN A 35 -7.683 -0.509 7.846 1.00 13.03 H new ATOM 0 HE22 GLN A 35 -9.317 -0.605 8.510 1.00 13.03 H new ATOM 534 N VAL A 36 -5.541 0.610 3.891 1.00 31.14 N ATOM 535 CA VAL A 36 -4.319 1.328 4.216 1.00 43.42 C ATOM 536 C VAL A 36 -4.213 1.545 5.719 1.00 51.14 C ATOM 537 O VAL A 36 -5.203 1.871 6.376 1.00 24.54 O ATOM 538 CB VAL A 36 -4.270 2.697 3.503 1.00 34.34 C ATOM 539 CG1 VAL A 36 -3.078 3.515 3.968 1.00 51.01 C ATOM 540 CG2 VAL A 36 -4.224 2.517 1.996 1.00 24.43 C ATOM 0 H VAL A 36 -6.349 1.211 3.730 1.00 31.14 H new ATOM 0 HA VAL A 36 -3.481 0.721 3.873 1.00 43.42 H new ATOM 0 HB VAL A 36 -5.179 3.238 3.764 1.00 34.34 H new ATOM 0 HG11 VAL A 36 -3.070 4.473 3.449 1.00 51.01 H new ATOM 0 HG12 VAL A 36 -3.150 3.685 5.042 1.00 51.01 H new ATOM 0 HG13 VAL A 36 -2.157 2.975 3.747 1.00 51.01 H new ATOM 0 HG21 VAL A 36 -4.190 3.494 1.514 1.00 24.43 H new ATOM 0 HG22 VAL A 36 -3.335 1.947 1.725 1.00 24.43 H new ATOM 0 HG23 VAL A 36 -5.114 1.981 1.666 1.00 24.43 H new ATOM 550 N ILE A 37 -3.022 1.349 6.265 1.00 70.22 N ATOM 551 CA ILE A 37 -2.787 1.627 7.673 1.00 74.43 C ATOM 552 C ILE A 37 -2.411 3.092 7.839 1.00 72.14 C ATOM 553 O ILE A 37 -3.050 3.836 8.584 1.00 71.25 O ATOM 554 CB ILE A 37 -1.664 0.744 8.265 1.00 62.04 C ATOM 555 CG1 ILE A 37 -1.919 -0.733 7.960 1.00 45.45 C ATOM 556 CG2 ILE A 37 -1.548 0.962 9.767 1.00 34.43 C ATOM 557 CD1 ILE A 37 -1.007 -1.300 6.894 1.00 22.11 C ATOM 0 H ILE A 37 -2.208 1.001 5.758 1.00 70.22 H new ATOM 0 HA ILE A 37 -3.706 1.400 8.212 1.00 74.43 H new ATOM 0 HB ILE A 37 -0.722 1.034 7.799 1.00 62.04 H new ATOM 0 HG12 ILE A 37 -1.796 -1.311 8.876 1.00 45.45 H new ATOM 0 HG13 ILE A 37 -2.955 -0.856 7.643 1.00 45.45 H new ATOM 0 HG21 ILE A 37 -0.753 0.332 10.166 1.00 34.43 H new ATOM 0 HG22 ILE A 37 -1.316 2.008 9.966 1.00 34.43 H new ATOM 0 HG23 ILE A 37 -2.492 0.702 10.246 1.00 34.43 H new ATOM 0 HD11 ILE A 37 -1.247 -2.351 6.732 1.00 22.11 H new ATOM 0 HD12 ILE A 37 -1.147 -0.748 5.964 1.00 22.11 H new ATOM 0 HD13 ILE A 37 0.030 -1.210 7.217 1.00 22.11 H new ATOM 569 N SER A 38 -1.373 3.494 7.120 1.00 40.53 N ATOM 570 CA SER A 38 -0.908 4.876 7.102 1.00 21.13 C ATOM 571 C SER A 38 -0.080 5.105 5.851 1.00 11.21 C ATOM 572 O SER A 38 0.464 4.155 5.283 1.00 75.12 O ATOM 573 CB SER A 38 -0.071 5.194 8.350 1.00 73.23 C ATOM 574 OG SER A 38 -0.808 4.973 9.543 1.00 61.14 O ATOM 0 H SER A 38 -0.826 2.868 6.529 1.00 40.53 H new ATOM 0 HA SER A 38 -1.774 5.538 7.101 1.00 21.13 H new ATOM 0 HB2 SER A 38 0.826 4.574 8.355 1.00 73.23 H new ATOM 0 HB3 SER A 38 0.259 6.232 8.313 1.00 73.23 H new ATOM 0 HG SER A 38 -1.763 4.910 9.331 1.00 61.14 H new ATOM 580 N GLU A 39 -0.003 6.347 5.409 1.00 24.35 N ATOM 581 CA GLU A 39 0.759 6.673 4.220 1.00 21.42 C ATOM 582 C GLU A 39 1.790 7.752 4.512 1.00 1.35 C ATOM 583 O GLU A 39 1.539 8.676 5.291 1.00 13.25 O ATOM 584 CB GLU A 39 -0.175 7.094 3.085 1.00 24.45 C ATOM 585 CG GLU A 39 -1.222 8.125 3.468 1.00 22.30 C ATOM 586 CD GLU A 39 -2.260 8.315 2.380 1.00 14.42 C ATOM 587 OE1 GLU A 39 -2.852 7.305 1.938 1.00 23.21 O ATOM 588 OE2 GLU A 39 -2.509 9.473 1.975 1.00 13.44 O ATOM 0 H GLU A 39 -0.458 7.144 5.855 1.00 24.35 H new ATOM 0 HA GLU A 39 1.298 5.780 3.903 1.00 21.42 H new ATOM 0 HB2 GLU A 39 0.426 7.494 2.269 1.00 24.45 H new ATOM 0 HB3 GLU A 39 -0.682 6.208 2.703 1.00 24.45 H new ATOM 0 HG2 GLU A 39 -1.716 7.815 4.389 1.00 22.30 H new ATOM 0 HG3 GLU A 39 -0.734 9.078 3.673 1.00 22.30 H new ATOM 595 N ASN A 40 2.958 7.614 3.901 1.00 44.40 N ATOM 596 CA ASN A 40 4.053 8.548 4.106 1.00 12.23 C ATOM 597 C ASN A 40 5.147 8.276 3.116 1.00 4.15 C ATOM 598 O ASN A 40 5.227 7.179 2.559 1.00 71.11 O ATOM 599 CB ASN A 40 4.677 8.376 5.492 1.00 10.12 C ATOM 600 CG ASN A 40 4.986 9.690 6.177 1.00 14.22 C ATOM 601 OD1 ASN A 40 5.310 10.687 5.530 1.00 43.02 O ATOM 602 ND2 ASN A 40 4.895 9.694 7.496 1.00 72.23 N ATOM 0 H ASN A 40 3.172 6.856 3.253 1.00 44.40 H new ATOM 0 HA ASN A 40 3.642 9.551 3.993 1.00 12.23 H new ATOM 0 HB2 ASN A 40 3.998 7.798 6.119 1.00 10.12 H new ATOM 0 HB3 ASN A 40 5.596 7.797 5.400 1.00 10.12 H new ATOM 0 HD21 ASN A 40 5.097 10.546 8.019 1.00 72.23 H new ATOM 0 HD22 ASN A 40 4.623 8.845 7.991 1.00 72.23 H new ATOM 609 N SER A 41 5.988 9.271 2.902 1.00 21.41 N ATOM 610 CA SER A 41 7.303 9.039 2.357 1.00 62.42 C ATOM 611 C SER A 41 7.270 8.421 0.955 1.00 65.41 C ATOM 612 O SER A 41 8.206 7.724 0.550 1.00 51.02 O ATOM 613 CB SER A 41 8.036 8.140 3.349 1.00 1.00 C ATOM 614 OG SER A 41 8.109 8.761 4.625 1.00 72.04 O ATOM 0 H SER A 41 5.778 10.249 3.100 1.00 21.41 H new ATOM 0 HA SER A 41 7.821 9.989 2.228 1.00 62.42 H new ATOM 0 HB2 SER A 41 7.519 7.184 3.433 1.00 1.00 H new ATOM 0 HB3 SER A 41 9.041 7.928 2.983 1.00 1.00 H new ATOM 0 HG SER A 41 8.580 8.171 5.250 1.00 72.04 H new ATOM 620 N GLY A 42 6.201 8.687 0.213 1.00 0.42 N ATOM 621 CA GLY A 42 6.135 8.248 -1.167 1.00 41.22 C ATOM 622 C GLY A 42 4.947 7.351 -1.454 1.00 1.31 C ATOM 623 O GLY A 42 4.197 7.590 -2.404 1.00 53.24 O ATOM 0 H GLY A 42 5.381 9.197 0.542 1.00 0.42 H new ATOM 0 HA2 GLY A 42 6.087 9.122 -1.817 1.00 41.22 H new ATOM 0 HA3 GLY A 42 7.053 7.715 -1.416 1.00 41.22 H new ATOM 627 N TRP A 43 4.769 6.321 -0.639 1.00 65.23 N ATOM 628 CA TRP A 43 3.731 5.323 -0.876 1.00 64.40 C ATOM 629 C TRP A 43 2.794 5.210 0.314 1.00 30.24 C ATOM 630 O TRP A 43 3.112 5.636 1.426 1.00 43.41 O ATOM 631 CB TRP A 43 4.331 3.948 -1.151 1.00 53.54 C ATOM 632 CG TRP A 43 5.162 3.874 -2.393 1.00 60.24 C ATOM 633 CD1 TRP A 43 4.992 4.572 -3.555 1.00 24.14 C ATOM 634 CD2 TRP A 43 6.291 3.028 -2.594 1.00 50.31 C ATOM 635 NE1 TRP A 43 5.965 4.218 -4.460 1.00 63.54 N ATOM 636 CE2 TRP A 43 6.773 3.269 -3.892 1.00 44.11 C ATOM 637 CE3 TRP A 43 6.939 2.096 -1.791 1.00 53.20 C ATOM 638 CZ2 TRP A 43 7.881 2.604 -4.404 1.00 51.55 C ATOM 639 CZ3 TRP A 43 8.040 1.430 -2.301 1.00 41.44 C ATOM 640 CH2 TRP A 43 8.503 1.690 -3.599 1.00 64.22 C ATOM 0 H TRP A 43 5.331 6.153 0.195 1.00 65.23 H new ATOM 0 HA TRP A 43 3.173 5.657 -1.751 1.00 64.40 H new ATOM 0 HB2 TRP A 43 4.945 3.656 -0.299 1.00 53.54 H new ATOM 0 HB3 TRP A 43 3.523 3.220 -1.225 1.00 53.54 H new ATOM 0 HD1 TRP A 43 4.210 5.294 -3.736 1.00 24.14 H new ATOM 0 HE1 TRP A 43 6.068 4.600 -5.400 1.00 63.54 H new ATOM 0 HE3 TRP A 43 6.590 1.896 -0.789 1.00 53.20 H new ATOM 0 HZ2 TRP A 43 8.239 2.802 -5.404 1.00 51.55 H new ATOM 0 HZ3 TRP A 43 8.550 0.700 -1.690 1.00 41.44 H new ATOM 0 HH2 TRP A 43 9.367 1.158 -3.970 1.00 64.22 H new ATOM 651 N SER A 44 1.645 4.625 0.067 1.00 42.42 N ATOM 652 CA SER A 44 0.658 4.393 1.098 1.00 33.03 C ATOM 653 C SER A 44 0.700 2.921 1.492 1.00 3.30 C ATOM 654 O SER A 44 0.526 2.043 0.648 1.00 55.00 O ATOM 655 CB SER A 44 -0.724 4.794 0.580 1.00 64.03 C ATOM 656 OG SER A 44 -1.699 4.771 1.601 1.00 4.23 O ATOM 0 H SER A 44 1.367 4.295 -0.857 1.00 42.42 H new ATOM 0 HA SER A 44 0.873 4.997 1.980 1.00 33.03 H new ATOM 0 HB2 SER A 44 -0.674 5.794 0.149 1.00 64.03 H new ATOM 0 HB3 SER A 44 -1.022 4.117 -0.221 1.00 64.03 H new ATOM 0 HG SER A 44 -2.176 5.627 1.617 1.00 4.23 H new ATOM 662 N LYS A 45 0.974 2.651 2.755 1.00 52.33 N ATOM 663 CA LYS A 45 1.214 1.303 3.203 1.00 35.42 C ATOM 664 C LYS A 45 -0.079 0.538 3.475 1.00 42.52 C ATOM 665 O LYS A 45 -1.007 1.056 4.098 1.00 15.12 O ATOM 666 CB LYS A 45 2.070 1.360 4.448 1.00 32.24 C ATOM 667 CG LYS A 45 2.644 0.028 4.846 1.00 70.24 C ATOM 668 CD LYS A 45 3.851 0.229 5.725 1.00 25.42 C ATOM 669 CE LYS A 45 3.491 0.906 7.030 1.00 21.31 C ATOM 670 NZ LYS A 45 4.700 1.239 7.827 1.00 32.55 N ATOM 0 H LYS A 45 1.035 3.357 3.489 1.00 52.33 H new ATOM 0 HA LYS A 45 1.728 0.760 2.410 1.00 35.42 H new ATOM 0 HB2 LYS A 45 2.886 2.064 4.286 1.00 32.24 H new ATOM 0 HB3 LYS A 45 1.472 1.749 5.272 1.00 32.24 H new ATOM 0 HG2 LYS A 45 1.892 -0.558 5.375 1.00 70.24 H new ATOM 0 HG3 LYS A 45 2.922 -0.538 3.957 1.00 70.24 H new ATOM 0 HD2 LYS A 45 4.314 -0.736 5.932 1.00 25.42 H new ATOM 0 HD3 LYS A 45 4.590 0.830 5.195 1.00 25.42 H new ATOM 0 HE2 LYS A 45 2.928 1.817 6.825 1.00 21.31 H new ATOM 0 HE3 LYS A 45 2.840 0.253 7.611 1.00 21.31 H new ATOM 0 HZ1 LYS A 45 4.415 1.701 8.714 1.00 32.55 H new ATOM 0 HZ2 LYS A 45 5.224 0.367 8.044 1.00 32.55 H new ATOM 0 HZ3 LYS A 45 5.309 1.882 7.282 1.00 32.55 H new ATOM 684 N ILE A 46 -0.100 -0.709 3.031 1.00 3.34 N ATOM 685 CA ILE A 46 -1.285 -1.553 3.121 1.00 12.25 C ATOM 686 C ILE A 46 -0.922 -2.929 3.673 1.00 24.52 C ATOM 687 O ILE A 46 0.258 -3.256 3.824 1.00 4.45 O ATOM 688 CB ILE A 46 -1.971 -1.717 1.735 1.00 54.33 C ATOM 689 CG1 ILE A 46 -0.972 -2.163 0.655 1.00 43.24 C ATOM 690 CG2 ILE A 46 -2.643 -0.423 1.314 1.00 63.53 C ATOM 691 CD1 ILE A 46 -0.757 -3.662 0.581 1.00 60.44 C ATOM 0 H ILE A 46 0.703 -1.166 2.598 1.00 3.34 H new ATOM 0 HA ILE A 46 -1.984 -1.063 3.799 1.00 12.25 H new ATOM 0 HB ILE A 46 -2.727 -2.496 1.838 1.00 54.33 H new ATOM 0 HG12 ILE A 46 -1.323 -1.810 -0.315 1.00 43.24 H new ATOM 0 HG13 ILE A 46 -0.013 -1.680 0.842 1.00 43.24 H new ATOM 0 HG21 ILE A 46 -3.117 -0.559 0.342 1.00 63.53 H new ATOM 0 HG22 ILE A 46 -3.398 -0.149 2.051 1.00 63.53 H new ATOM 0 HG23 ILE A 46 -1.897 0.369 1.247 1.00 63.53 H new ATOM 0 HD11 ILE A 46 -0.038 -3.888 -0.207 1.00 60.44 H new ATOM 0 HD12 ILE A 46 -0.374 -4.022 1.536 1.00 60.44 H new ATOM 0 HD13 ILE A 46 -1.704 -4.155 0.361 1.00 60.44 H new ATOM 703 N ASN A 47 -1.932 -3.729 3.979 1.00 24.01 N ATOM 704 CA ASN A 47 -1.710 -5.108 4.395 1.00 23.33 C ATOM 705 C ASN A 47 -2.563 -6.035 3.542 1.00 53.24 C ATOM 706 O ASN A 47 -3.786 -6.003 3.616 1.00 23.54 O ATOM 707 CB ASN A 47 -2.042 -5.286 5.880 1.00 11.21 C ATOM 708 CG ASN A 47 -1.688 -6.668 6.401 1.00 51.42 C ATOM 709 OD1 ASN A 47 -2.510 -7.583 6.397 1.00 50.23 O ATOM 710 ND2 ASN A 47 -0.454 -6.829 6.848 1.00 34.50 N ATOM 0 H ASN A 47 -2.912 -3.449 3.948 1.00 24.01 H new ATOM 0 HA ASN A 47 -0.658 -5.358 4.256 1.00 23.33 H new ATOM 0 HB2 ASN A 47 -1.505 -4.536 6.460 1.00 11.21 H new ATOM 0 HB3 ASN A 47 -3.106 -5.106 6.034 1.00 11.21 H new ATOM 0 HD21 ASN A 47 -0.155 -7.736 7.206 1.00 34.50 H new ATOM 0 HD22 ASN A 47 0.199 -6.046 6.835 1.00 34.50 H new ATOM 717 N TYR A 48 -1.914 -6.858 2.736 1.00 51.52 N ATOM 718 CA TYR A 48 -2.613 -7.661 1.743 1.00 73.20 C ATOM 719 C TYR A 48 -2.262 -9.133 1.903 1.00 40.01 C ATOM 720 O TYR A 48 -1.116 -9.526 1.694 1.00 73.21 O ATOM 721 CB TYR A 48 -2.228 -7.174 0.339 1.00 51.33 C ATOM 722 CG TYR A 48 -3.114 -7.685 -0.780 1.00 51.32 C ATOM 723 CD1 TYR A 48 -2.857 -8.897 -1.409 1.00 4.11 C ATOM 724 CD2 TYR A 48 -4.199 -6.937 -1.222 1.00 45.31 C ATOM 725 CE1 TYR A 48 -3.658 -9.351 -2.442 1.00 64.44 C ATOM 726 CE2 TYR A 48 -5.002 -7.382 -2.255 1.00 2.14 C ATOM 727 CZ TYR A 48 -4.729 -8.590 -2.861 1.00 51.31 C ATOM 728 OH TYR A 48 -5.525 -9.031 -3.898 1.00 55.33 O ATOM 0 H TYR A 48 -0.903 -6.989 2.749 1.00 51.52 H new ATOM 0 HA TYR A 48 -3.688 -7.551 1.885 1.00 73.20 H new ATOM 0 HB2 TYR A 48 -2.249 -6.084 0.330 1.00 51.33 H new ATOM 0 HB3 TYR A 48 -1.200 -7.475 0.135 1.00 51.33 H new ATOM 0 HD1 TYR A 48 -2.018 -9.495 -1.086 1.00 4.11 H new ATOM 0 HD2 TYR A 48 -4.418 -5.991 -0.750 1.00 45.31 H new ATOM 0 HE1 TYR A 48 -3.445 -10.297 -2.918 1.00 64.44 H new ATOM 0 HE2 TYR A 48 -5.840 -6.786 -2.586 1.00 2.14 H new ATOM 0 HH TYR A 48 -6.235 -8.377 -4.066 1.00 55.33 H new ATOM 738 N ASN A 49 -3.242 -9.935 2.303 1.00 25.51 N ATOM 739 CA ASN A 49 -3.059 -11.382 2.445 1.00 51.32 C ATOM 740 C ASN A 49 -1.974 -11.687 3.486 1.00 24.11 C ATOM 741 O ASN A 49 -1.189 -12.627 3.347 1.00 73.31 O ATOM 742 CB ASN A 49 -2.724 -12.010 1.077 1.00 72.21 C ATOM 743 CG ASN A 49 -2.837 -13.528 1.065 1.00 64.10 C ATOM 744 OD1 ASN A 49 -3.934 -14.077 0.970 1.00 54.40 O ATOM 745 ND2 ASN A 49 -1.706 -14.217 1.110 1.00 32.21 N ATOM 0 H ASN A 49 -4.179 -9.608 2.537 1.00 25.51 H new ATOM 0 HA ASN A 49 -3.989 -11.826 2.800 1.00 51.32 H new ATOM 0 HB2 ASN A 49 -3.393 -11.597 0.322 1.00 72.21 H new ATOM 0 HB3 ASN A 49 -1.710 -11.726 0.794 1.00 72.21 H new ATOM 0 HD21 ASN A 49 -1.727 -15.236 1.066 1.00 32.21 H new ATOM 0 HD22 ASN A 49 -0.814 -13.729 1.189 1.00 32.21 H new ATOM 752 N GLY A 50 -1.947 -10.882 4.539 1.00 73.03 N ATOM 753 CA GLY A 50 -1.035 -11.117 5.643 1.00 12.42 C ATOM 754 C GLY A 50 0.280 -10.362 5.531 1.00 14.53 C ATOM 755 O GLY A 50 0.985 -10.201 6.524 1.00 1.52 O ATOM 0 H GLY A 50 -2.545 -10.063 4.649 1.00 73.03 H new ATOM 0 HA2 GLY A 50 -1.527 -10.833 6.574 1.00 12.42 H new ATOM 0 HA3 GLY A 50 -0.825 -12.185 5.706 1.00 12.42 H new ATOM 759 N GLN A 51 0.610 -9.883 4.338 1.00 14.01 N ATOM 760 CA GLN A 51 1.885 -9.199 4.132 1.00 62.41 C ATOM 761 C GLN A 51 1.700 -7.689 4.169 1.00 34.12 C ATOM 762 O GLN A 51 0.611 -7.177 3.910 1.00 3.15 O ATOM 763 CB GLN A 51 2.525 -9.609 2.801 1.00 1.15 C ATOM 764 CG GLN A 51 1.783 -9.096 1.580 1.00 40.30 C ATOM 765 CD GLN A 51 2.421 -9.528 0.279 1.00 32.02 C ATOM 766 OE1 GLN A 51 3.635 -9.721 0.199 1.00 34.41 O ATOM 767 NE2 GLN A 51 1.604 -9.688 -0.746 1.00 74.12 N ATOM 0 H GLN A 51 0.023 -9.953 3.507 1.00 14.01 H new ATOM 0 HA GLN A 51 2.550 -9.495 4.943 1.00 62.41 H new ATOM 0 HB2 GLN A 51 3.550 -9.240 2.773 1.00 1.15 H new ATOM 0 HB3 GLN A 51 2.576 -10.697 2.753 1.00 1.15 H new ATOM 0 HG2 GLN A 51 0.754 -9.453 1.610 1.00 40.30 H new ATOM 0 HG3 GLN A 51 1.744 -8.007 1.616 1.00 40.30 H new ATOM 0 HE21 GLN A 51 0.605 -9.517 -0.633 1.00 74.12 H new ATOM 0 HE22 GLN A 51 1.972 -9.983 -1.650 1.00 74.12 H new ATOM 776 N THR A 52 2.770 -6.988 4.492 1.00 71.54 N ATOM 777 CA THR A 52 2.750 -5.540 4.525 1.00 64.53 C ATOM 778 C THR A 52 3.313 -4.987 3.222 1.00 63.33 C ATOM 779 O THR A 52 4.491 -5.171 2.913 1.00 53.12 O ATOM 780 CB THR A 52 3.562 -5.005 5.720 1.00 60.22 C ATOM 781 OG1 THR A 52 3.076 -5.588 6.938 1.00 43.15 O ATOM 782 CG2 THR A 52 3.473 -3.488 5.811 1.00 24.14 C ATOM 0 H THR A 52 3.669 -7.402 4.737 1.00 71.54 H new ATOM 0 HA THR A 52 1.717 -5.212 4.641 1.00 64.53 H new ATOM 0 HB THR A 52 4.606 -5.280 5.570 1.00 60.22 H new ATOM 0 HG1 THR A 52 3.596 -5.246 7.695 1.00 43.15 H new ATOM 0 HG21 THR A 52 4.056 -3.140 6.664 1.00 24.14 H new ATOM 0 HG22 THR A 52 3.867 -3.045 4.897 1.00 24.14 H new ATOM 0 HG23 THR A 52 2.432 -3.192 5.938 1.00 24.14 H new ATOM 790 N GLY A 53 2.462 -4.330 2.456 1.00 64.33 N ATOM 791 CA GLY A 53 2.872 -3.808 1.172 1.00 40.11 C ATOM 792 C GLY A 53 2.716 -2.307 1.093 1.00 64.41 C ATOM 793 O GLY A 53 2.334 -1.664 2.068 1.00 72.13 O ATOM 0 H GLY A 53 1.489 -4.147 2.701 1.00 64.33 H new ATOM 0 HA2 GLY A 53 3.913 -4.074 0.989 1.00 40.11 H new ATOM 0 HA3 GLY A 53 2.280 -4.276 0.385 1.00 40.11 H new ATOM 797 N TYR A 54 3.004 -1.748 -0.072 1.00 12.32 N ATOM 798 CA TYR A 54 2.888 -0.314 -0.284 1.00 14.43 C ATOM 799 C TYR A 54 2.238 -0.060 -1.633 1.00 1.23 C ATOM 800 O TYR A 54 2.553 -0.734 -2.610 1.00 32.33 O ATOM 801 CB TYR A 54 4.266 0.360 -0.271 1.00 12.25 C ATOM 802 CG TYR A 54 5.072 0.167 0.999 1.00 50.01 C ATOM 803 CD1 TYR A 54 5.834 -0.979 1.199 1.00 71.05 C ATOM 804 CD2 TYR A 54 5.087 1.143 1.989 1.00 70.45 C ATOM 805 CE1 TYR A 54 6.578 -1.149 2.349 1.00 22.15 C ATOM 806 CE2 TYR A 54 5.833 0.981 3.140 1.00 50.44 C ATOM 807 CZ TYR A 54 6.577 -0.167 3.317 1.00 43.31 C ATOM 808 OH TYR A 54 7.323 -0.331 4.462 1.00 61.24 O ATOM 0 H TYR A 54 3.321 -2.269 -0.889 1.00 12.32 H new ATOM 0 HA TYR A 54 2.284 0.103 0.522 1.00 14.43 H new ATOM 0 HB2 TYR A 54 4.846 -0.022 -1.111 1.00 12.25 H new ATOM 0 HB3 TYR A 54 4.131 1.429 -0.436 1.00 12.25 H new ATOM 0 HD1 TYR A 54 5.844 -1.749 0.442 1.00 71.05 H new ATOM 0 HD2 TYR A 54 4.505 2.043 1.856 1.00 70.45 H new ATOM 0 HE1 TYR A 54 7.159 -2.048 2.490 1.00 22.15 H new ATOM 0 HE2 TYR A 54 5.834 1.750 3.898 1.00 50.44 H new ATOM 0 HH TYR A 54 7.212 0.453 5.040 1.00 61.24 H new ATOM 818 N ILE A 55 1.349 0.913 -1.690 1.00 41.32 N ATOM 819 CA ILE A 55 0.721 1.291 -2.944 1.00 10.45 C ATOM 820 C ILE A 55 1.025 2.747 -3.256 1.00 42.35 C ATOM 821 O ILE A 55 1.321 3.530 -2.355 1.00 60.05 O ATOM 822 CB ILE A 55 -0.814 1.039 -2.929 1.00 51.03 C ATOM 823 CG1 ILE A 55 -1.513 1.816 -1.807 1.00 35.11 C ATOM 824 CG2 ILE A 55 -1.102 -0.446 -2.785 1.00 15.24 C ATOM 825 CD1 ILE A 55 -1.913 3.224 -2.188 1.00 34.23 C ATOM 0 H ILE A 55 1.044 1.457 -0.883 1.00 41.32 H new ATOM 0 HA ILE A 55 1.138 0.661 -3.729 1.00 10.45 H new ATOM 0 HB ILE A 55 -1.211 1.398 -3.879 1.00 51.03 H new ATOM 0 HG12 ILE A 55 -2.403 1.267 -1.500 1.00 35.11 H new ATOM 0 HG13 ILE A 55 -0.851 1.859 -0.942 1.00 35.11 H new ATOM 0 HG21 ILE A 55 -2.180 -0.608 -2.776 1.00 15.24 H new ATOM 0 HG22 ILE A 55 -0.661 -0.985 -3.623 1.00 15.24 H new ATOM 0 HG23 ILE A 55 -0.672 -0.811 -1.852 1.00 15.24 H new ATOM 0 HD11 ILE A 55 -2.401 3.706 -1.341 1.00 34.23 H new ATOM 0 HD12 ILE A 55 -1.025 3.792 -2.466 1.00 34.23 H new ATOM 0 HD13 ILE A 55 -2.602 3.191 -3.032 1.00 34.23 H new ATOM 837 N GLY A 56 0.974 3.106 -4.523 1.00 15.34 N ATOM 838 CA GLY A 56 1.251 4.474 -4.899 1.00 34.31 C ATOM 839 C GLY A 56 0.066 5.372 -4.637 1.00 21.24 C ATOM 840 O GLY A 56 -0.989 5.214 -5.249 1.00 35.24 O ATOM 0 H GLY A 56 0.747 2.481 -5.296 1.00 15.34 H new ATOM 0 HA2 GLY A 56 2.114 4.838 -4.342 1.00 34.31 H new ATOM 0 HA3 GLY A 56 1.513 4.516 -5.956 1.00 34.31 H new ATOM 844 N THR A 57 0.253 6.326 -3.737 1.00 22.22 N ATOM 845 CA THR A 57 -0.816 7.211 -3.295 1.00 31.30 C ATOM 846 C THR A 57 -1.355 8.072 -4.442 1.00 4.22 C ATOM 847 O THR A 57 -2.398 8.714 -4.312 1.00 2.35 O ATOM 848 CB THR A 57 -0.297 8.124 -2.177 1.00 64.30 C ATOM 849 OG1 THR A 57 0.838 7.509 -1.549 1.00 22.30 O ATOM 850 CG2 THR A 57 -1.376 8.368 -1.140 1.00 14.44 C ATOM 0 H THR A 57 1.152 6.509 -3.291 1.00 22.22 H new ATOM 0 HA THR A 57 -1.632 6.588 -2.929 1.00 31.30 H new ATOM 0 HB THR A 57 -0.009 9.081 -2.612 1.00 64.30 H new ATOM 0 HG1 THR A 57 1.172 8.091 -0.835 1.00 22.30 H new ATOM 0 HG21 THR A 57 -0.987 9.018 -0.356 1.00 14.44 H new ATOM 0 HG22 THR A 57 -2.235 8.844 -1.613 1.00 14.44 H new ATOM 0 HG23 THR A 57 -1.683 7.417 -0.704 1.00 14.44 H new ATOM 858 N ARG A 58 -0.637 8.085 -5.557 1.00 40.21 N ATOM 859 CA ARG A 58 -1.061 8.824 -6.735 1.00 45.44 C ATOM 860 C ARG A 58 -2.287 8.188 -7.383 1.00 45.13 C ATOM 861 O ARG A 58 -3.149 8.889 -7.910 1.00 12.54 O ATOM 862 CB ARG A 58 0.071 8.906 -7.759 1.00 74.12 C ATOM 863 CG ARG A 58 0.557 10.322 -8.001 1.00 24.31 C ATOM 864 CD ARG A 58 1.519 10.399 -9.175 1.00 13.11 C ATOM 865 NE ARG A 58 1.822 11.784 -9.527 1.00 53.45 N ATOM 866 CZ ARG A 58 2.110 12.197 -10.758 1.00 44.32 C ATOM 867 NH1 ARG A 58 2.196 11.323 -11.753 1.00 2.40 N ATOM 868 NH2 ARG A 58 2.307 13.489 -10.994 1.00 71.14 N ATOM 0 H ARG A 58 0.247 7.588 -5.669 1.00 40.21 H new ATOM 0 HA ARG A 58 -1.325 9.829 -6.407 1.00 45.44 H new ATOM 0 HB2 ARG A 58 0.907 8.296 -7.417 1.00 74.12 H new ATOM 0 HB3 ARG A 58 -0.270 8.480 -8.702 1.00 74.12 H new ATOM 0 HG2 ARG A 58 -0.298 10.972 -8.189 1.00 24.31 H new ATOM 0 HG3 ARG A 58 1.050 10.695 -7.103 1.00 24.31 H new ATOM 0 HD2 ARG A 58 2.442 9.875 -8.926 1.00 13.11 H new ATOM 0 HD3 ARG A 58 1.086 9.890 -10.036 1.00 13.11 H new ATOM 0 HE ARG A 58 1.812 12.479 -8.781 1.00 53.45 H new ATOM 0 HH11 ARG A 58 2.041 10.331 -11.575 1.00 2.40 H new ATOM 0 HH12 ARG A 58 2.417 11.644 -12.696 1.00 2.40 H new ATOM 0 HH21 ARG A 58 2.237 14.163 -10.232 1.00 71.14 H new ATOM 0 HH22 ARG A 58 2.528 13.807 -11.938 1.00 71.14 H new ATOM 882 N TYR A 59 -2.370 6.864 -7.338 1.00 34.10 N ATOM 883 CA TYR A 59 -3.443 6.158 -8.021 1.00 15.22 C ATOM 884 C TYR A 59 -4.172 5.201 -7.094 1.00 75.52 C ATOM 885 O TYR A 59 -3.578 4.291 -6.531 1.00 10.02 O ATOM 886 CB TYR A 59 -2.894 5.399 -9.227 1.00 15.14 C ATOM 887 CG TYR A 59 -3.185 6.072 -10.548 1.00 53.22 C ATOM 888 CD1 TYR A 59 -2.335 7.041 -11.063 1.00 71.33 C ATOM 889 CD2 TYR A 59 -4.318 5.738 -11.278 1.00 21.45 C ATOM 890 CE1 TYR A 59 -2.606 7.656 -12.270 1.00 12.42 C ATOM 891 CE2 TYR A 59 -4.595 6.347 -12.483 1.00 31.21 C ATOM 892 CZ TYR A 59 -3.738 7.305 -12.975 1.00 43.44 C ATOM 893 OH TYR A 59 -4.015 7.914 -14.177 1.00 72.43 O ATOM 0 H TYR A 59 -1.713 6.263 -6.840 1.00 34.10 H new ATOM 0 HA TYR A 59 -4.161 6.905 -8.359 1.00 15.22 H new ATOM 0 HB2 TYR A 59 -1.816 5.287 -9.115 1.00 15.14 H new ATOM 0 HB3 TYR A 59 -3.319 4.395 -9.239 1.00 15.14 H new ATOM 0 HD1 TYR A 59 -1.449 7.318 -10.512 1.00 71.33 H new ATOM 0 HD2 TYR A 59 -4.994 4.988 -10.895 1.00 21.45 H new ATOM 0 HE1 TYR A 59 -1.935 8.407 -12.659 1.00 12.42 H new ATOM 0 HE2 TYR A 59 -5.480 6.074 -13.038 1.00 31.21 H new ATOM 0 HH TYR A 59 -4.848 7.551 -14.543 1.00 72.43 H new ATOM 903 N LEU A 60 -5.467 5.444 -6.944 1.00 53.42 N ATOM 904 CA LEU A 60 -6.370 4.574 -6.197 1.00 41.31 C ATOM 905 C LEU A 60 -7.788 4.781 -6.707 1.00 2.30 C ATOM 906 O LEU A 60 -8.124 5.858 -7.196 1.00 64.12 O ATOM 907 CB LEU A 60 -6.325 4.886 -4.692 1.00 74.21 C ATOM 908 CG LEU A 60 -5.078 4.416 -3.942 1.00 63.43 C ATOM 909 CD1 LEU A 60 -5.141 4.847 -2.482 1.00 72.43 C ATOM 910 CD2 LEU A 60 -4.940 2.904 -4.040 1.00 53.52 C ATOM 0 H LEU A 60 -5.928 6.262 -7.343 1.00 53.42 H new ATOM 0 HA LEU A 60 -6.056 3.540 -6.343 1.00 41.31 H new ATOM 0 HB2 LEU A 60 -6.416 5.964 -4.563 1.00 74.21 H new ATOM 0 HB3 LEU A 60 -7.198 4.434 -4.222 1.00 74.21 H new ATOM 0 HG LEU A 60 -4.204 4.876 -4.402 1.00 63.43 H new ATOM 0 HD11 LEU A 60 -4.246 4.505 -1.963 1.00 72.43 H new ATOM 0 HD12 LEU A 60 -5.200 5.934 -2.426 1.00 72.43 H new ATOM 0 HD13 LEU A 60 -6.023 4.411 -2.012 1.00 72.43 H new ATOM 0 HD21 LEU A 60 -4.048 2.584 -3.501 1.00 53.52 H new ATOM 0 HD22 LEU A 60 -5.818 2.429 -3.602 1.00 53.52 H new ATOM 0 HD23 LEU A 60 -4.855 2.613 -5.087 1.00 53.52 H new ATOM 922 N SER A 61 -8.615 3.760 -6.597 1.00 1.22 N ATOM 923 CA SER A 61 -10.003 3.873 -6.999 1.00 63.42 C ATOM 924 C SER A 61 -10.841 4.267 -5.796 1.00 41.12 C ATOM 925 O SER A 61 -10.862 3.556 -4.795 1.00 10.31 O ATOM 926 CB SER A 61 -10.501 2.548 -7.581 1.00 22.33 C ATOM 927 OG SER A 61 -11.820 2.664 -8.092 1.00 13.44 O ATOM 0 H SER A 61 -8.351 2.844 -6.233 1.00 1.22 H new ATOM 0 HA SER A 61 -10.093 4.638 -7.770 1.00 63.42 H new ATOM 0 HB2 SER A 61 -9.829 2.224 -8.376 1.00 22.33 H new ATOM 0 HB3 SER A 61 -10.476 1.779 -6.809 1.00 22.33 H new ATOM 0 HG SER A 61 -11.892 2.161 -8.930 1.00 13.44 H new ATOM 933 N LYS A 62 -11.511 5.402 -5.894 1.00 43.41 N ATOM 934 CA LYS A 62 -12.346 5.889 -4.810 1.00 23.43 C ATOM 935 C LYS A 62 -13.757 5.331 -4.930 1.00 72.21 C ATOM 936 O LYS A 62 -14.177 4.904 -6.006 1.00 25.33 O ATOM 937 CB LYS A 62 -12.388 7.414 -4.810 1.00 11.31 C ATOM 938 CG LYS A 62 -11.031 8.060 -4.597 1.00 2.51 C ATOM 939 CD LYS A 62 -11.161 9.566 -4.485 1.00 74.31 C ATOM 940 CE LYS A 62 -9.801 10.246 -4.451 1.00 31.24 C ATOM 941 NZ LYS A 62 -9.919 11.717 -4.275 1.00 50.32 N ATOM 0 H LYS A 62 -11.493 6.005 -6.716 1.00 43.41 H new ATOM 0 HA LYS A 62 -11.913 5.550 -3.869 1.00 23.43 H new ATOM 0 HB2 LYS A 62 -12.800 7.758 -5.759 1.00 11.31 H new ATOM 0 HB3 LYS A 62 -13.068 7.750 -4.027 1.00 11.31 H new ATOM 0 HG2 LYS A 62 -10.572 7.662 -3.692 1.00 2.51 H new ATOM 0 HG3 LYS A 62 -10.370 7.809 -5.426 1.00 2.51 H new ATOM 0 HD2 LYS A 62 -11.737 9.946 -5.329 1.00 74.31 H new ATOM 0 HD3 LYS A 62 -11.716 9.817 -3.581 1.00 74.31 H new ATOM 0 HE2 LYS A 62 -9.208 9.830 -3.637 1.00 31.24 H new ATOM 0 HE3 LYS A 62 -9.266 10.033 -5.376 1.00 31.24 H new ATOM 0 HZ1 LYS A 62 -8.970 12.142 -4.257 1.00 50.32 H new ATOM 0 HZ2 LYS A 62 -10.463 12.119 -5.065 1.00 50.32 H new ATOM 0 HZ3 LYS A 62 -10.407 11.921 -3.379 1.00 50.32 H new ATOM 955 N LEU A 63 -14.483 5.333 -3.818 1.00 33.54 N ATOM 956 CA LEU A 63 -15.873 4.890 -3.809 1.00 2.24 C ATOM 957 C LEU A 63 -16.798 6.016 -4.266 1.00 32.25 C ATOM 958 O LEU A 63 -18.007 5.832 -4.412 1.00 20.33 O ATOM 959 CB LEU A 63 -16.263 4.382 -2.410 1.00 45.34 C ATOM 960 CG LEU A 63 -15.907 5.296 -1.224 1.00 15.24 C ATOM 961 CD1 LEU A 63 -16.858 6.481 -1.127 1.00 40.34 C ATOM 962 CD2 LEU A 63 -15.914 4.501 0.075 1.00 54.22 C ATOM 0 H LEU A 63 -14.132 5.637 -2.910 1.00 33.54 H new ATOM 0 HA LEU A 63 -15.982 4.063 -4.511 1.00 2.24 H new ATOM 0 HB2 LEU A 63 -17.339 4.210 -2.397 1.00 45.34 H new ATOM 0 HB3 LEU A 63 -15.784 3.416 -2.252 1.00 45.34 H new ATOM 0 HG LEU A 63 -14.905 5.689 -1.394 1.00 15.24 H new ATOM 0 HD11 LEU A 63 -16.577 7.105 -0.279 1.00 40.34 H new ATOM 0 HD12 LEU A 63 -16.802 7.068 -2.043 1.00 40.34 H new ATOM 0 HD13 LEU A 63 -17.877 6.119 -0.989 1.00 40.34 H new ATOM 0 HD21 LEU A 63 -15.661 5.159 0.906 1.00 54.22 H new ATOM 0 HD22 LEU A 63 -16.905 4.077 0.237 1.00 54.22 H new ATOM 0 HD23 LEU A 63 -15.181 3.696 0.013 1.00 54.22 H new ATOM 974 N GLU A 64 -16.208 7.180 -4.494 1.00 31.53 N ATOM 975 CA GLU A 64 -16.946 8.354 -4.927 1.00 25.24 C ATOM 976 C GLU A 64 -17.010 8.365 -6.459 1.00 63.04 C ATOM 977 O GLU A 64 -16.123 7.816 -7.114 1.00 54.44 O ATOM 978 CB GLU A 64 -16.257 9.610 -4.376 1.00 51.31 C ATOM 979 CG GLU A 64 -17.196 10.770 -4.082 1.00 2.23 C ATOM 980 CD GLU A 64 -17.693 11.452 -5.332 1.00 75.21 C ATOM 981 OE1 GLU A 64 -16.890 12.144 -5.985 1.00 23.33 O ATOM 982 OE2 GLU A 64 -18.883 11.292 -5.676 1.00 3.55 O ATOM 0 H GLU A 64 -15.206 7.336 -4.384 1.00 31.53 H new ATOM 0 HA GLU A 64 -17.967 8.335 -4.545 1.00 25.24 H new ATOM 0 HB2 GLU A 64 -15.729 9.346 -3.460 1.00 51.31 H new ATOM 0 HB3 GLU A 64 -15.506 9.941 -5.093 1.00 51.31 H new ATOM 0 HG2 GLU A 64 -18.049 10.405 -3.510 1.00 2.23 H new ATOM 0 HG3 GLU A 64 -16.681 11.499 -3.457 1.00 2.23 H new ATOM 989 N HIS A 65 -18.060 8.985 -7.012 1.00 54.31 N ATOM 990 CA HIS A 65 -18.349 8.937 -8.453 1.00 14.35 C ATOM 991 C HIS A 65 -18.830 7.542 -8.836 1.00 33.05 C ATOM 992 O HIS A 65 -18.657 7.093 -9.970 1.00 32.33 O ATOM 993 CB HIS A 65 -17.126 9.336 -9.298 1.00 3.43 C ATOM 994 CG HIS A 65 -16.996 10.808 -9.554 1.00 43.14 C ATOM 995 ND1 HIS A 65 -16.765 11.741 -8.565 1.00 74.11 N ATOM 996 CD2 HIS A 65 -17.062 11.508 -10.711 1.00 22.54 C ATOM 997 CE1 HIS A 65 -16.694 12.942 -9.101 1.00 12.00 C ATOM 998 NE2 HIS A 65 -16.870 12.830 -10.403 1.00 52.21 N ATOM 0 H HIS A 65 -18.732 9.533 -6.476 1.00 54.31 H new ATOM 0 HA HIS A 65 -19.135 9.662 -8.662 1.00 14.35 H new ATOM 0 HB2 HIS A 65 -16.224 8.987 -8.795 1.00 3.43 H new ATOM 0 HB3 HIS A 65 -17.178 8.817 -10.255 1.00 3.43 H new ATOM 0 HD1 HIS A 65 -16.665 11.533 -7.571 1.00 74.11 H new ATOM 0 HD2 HIS A 65 -17.234 11.100 -11.696 1.00 22.54 H new ATOM 0 HE1 HIS A 65 -16.521 13.863 -8.565 1.00 12.00 H new ATOM 1007 N HIS A 66 -19.462 6.881 -7.877 1.00 73.33 N ATOM 1008 CA HIS A 66 -19.929 5.509 -8.044 1.00 53.33 C ATOM 1009 C HIS A 66 -21.214 5.478 -8.871 1.00 21.42 C ATOM 1010 O HIS A 66 -22.081 6.339 -8.717 1.00 1.41 O ATOM 1011 CB HIS A 66 -20.175 4.891 -6.662 1.00 53.24 C ATOM 1012 CG HIS A 66 -20.140 3.391 -6.629 1.00 24.45 C ATOM 1013 ND1 HIS A 66 -19.530 2.681 -5.617 1.00 12.24 N ATOM 1014 CD2 HIS A 66 -20.639 2.465 -7.479 1.00 3.44 C ATOM 1015 CE1 HIS A 66 -19.652 1.390 -5.850 1.00 3.43 C ATOM 1016 NE2 HIS A 66 -20.322 1.234 -6.971 1.00 14.21 N ATOM 0 H HIS A 66 -19.666 7.279 -6.960 1.00 73.33 H new ATOM 0 HA HIS A 66 -19.170 4.933 -8.573 1.00 53.33 H new ATOM 0 HB2 HIS A 66 -19.425 5.273 -5.970 1.00 53.24 H new ATOM 0 HB3 HIS A 66 -21.146 5.226 -6.297 1.00 53.24 H new ATOM 0 HD2 HIS A 66 -21.186 2.660 -8.389 1.00 3.44 H new ATOM 0 HE1 HIS A 66 -19.268 0.596 -5.227 1.00 3.43 H new ATOM 0 HE2 HIS A 66 -20.566 0.339 -7.394 1.00 14.21 H new ATOM 1025 N HIS A 67 -21.327 4.493 -9.754 1.00 41.20 N ATOM 1026 CA HIS A 67 -22.533 4.319 -10.557 1.00 12.22 C ATOM 1027 C HIS A 67 -23.241 3.020 -10.189 1.00 74.54 C ATOM 1028 O HIS A 67 -22.597 1.993 -9.967 1.00 73.12 O ATOM 1029 CB HIS A 67 -22.209 4.309 -12.055 1.00 24.02 C ATOM 1030 CG HIS A 67 -21.804 5.635 -12.609 1.00 33.35 C ATOM 1031 ND1 HIS A 67 -22.634 6.410 -13.390 1.00 14.33 N ATOM 1032 CD2 HIS A 67 -20.640 6.315 -12.515 1.00 21.24 C ATOM 1033 CE1 HIS A 67 -21.998 7.505 -13.752 1.00 12.02 C ATOM 1034 NE2 HIS A 67 -20.782 7.476 -13.236 1.00 54.13 N ATOM 0 H HIS A 67 -20.598 3.802 -9.933 1.00 41.20 H new ATOM 0 HA HIS A 67 -23.188 5.164 -10.345 1.00 12.22 H new ATOM 0 HB2 HIS A 67 -21.407 3.593 -12.236 1.00 24.02 H new ATOM 0 HB3 HIS A 67 -23.083 3.953 -12.601 1.00 24.02 H new ATOM 0 HD2 HIS A 67 -19.760 6.003 -11.973 1.00 21.24 H new ATOM 0 HE1 HIS A 67 -22.403 8.295 -14.368 1.00 12.02 H new ATOM 0 HE2 HIS A 67 -20.068 8.195 -13.353 1.00 54.13 H new ATOM 1043 N HIS A 68 -24.561 3.072 -10.114 1.00 32.10 N ATOM 1044 CA HIS A 68 -25.359 1.880 -9.859 1.00 41.23 C ATOM 1045 C HIS A 68 -26.264 1.607 -11.054 1.00 52.25 C ATOM 1046 O HIS A 68 -26.475 0.458 -11.443 1.00 42.40 O ATOM 1047 CB HIS A 68 -26.194 2.047 -8.583 1.00 4.20 C ATOM 1048 CG HIS A 68 -26.881 0.787 -8.146 1.00 45.53 C ATOM 1049 ND1 HIS A 68 -28.249 0.632 -8.148 1.00 34.31 N ATOM 1050 CD2 HIS A 68 -26.374 -0.375 -7.676 1.00 73.53 C ATOM 1051 CE1 HIS A 68 -28.553 -0.569 -7.698 1.00 0.32 C ATOM 1052 NE2 HIS A 68 -27.434 -1.204 -7.402 1.00 25.35 N ATOM 0 H HIS A 68 -25.105 3.928 -10.226 1.00 32.10 H new ATOM 0 HA HIS A 68 -24.689 1.032 -9.714 1.00 41.23 H new ATOM 0 HB2 HIS A 68 -25.547 2.396 -7.778 1.00 4.20 H new ATOM 0 HB3 HIS A 68 -26.943 2.821 -8.748 1.00 4.20 H new ATOM 0 HD2 HIS A 68 -25.328 -0.608 -7.541 1.00 73.53 H new ATOM 0 HE1 HIS A 68 -29.551 -0.967 -7.590 1.00 0.32 H new ATOM 0 HE2 HIS A 68 -27.368 -2.152 -7.032 1.00 25.35 H new ATOM 1061 N HIS A 69 -26.795 2.676 -11.630 1.00 31.21 N ATOM 1062 CA HIS A 69 -27.601 2.576 -12.837 1.00 31.41 C ATOM 1063 C HIS A 69 -26.704 2.266 -14.032 1.00 30.13 C ATOM 1064 O HIS A 69 -25.680 2.919 -14.236 1.00 2.14 O ATOM 1065 CB HIS A 69 -28.375 3.880 -13.069 1.00 61.31 C ATOM 1066 CG HIS A 69 -29.146 3.915 -14.356 1.00 34.32 C ATOM 1067 ND1 HIS A 69 -30.416 3.401 -14.484 1.00 0.32 N ATOM 1068 CD2 HIS A 69 -28.813 4.394 -15.578 1.00 30.25 C ATOM 1069 CE1 HIS A 69 -30.832 3.561 -15.725 1.00 72.13 C ATOM 1070 NE2 HIS A 69 -29.877 4.161 -16.408 1.00 34.40 N ATOM 0 H HIS A 69 -26.681 3.627 -11.278 1.00 31.21 H new ATOM 0 HA HIS A 69 -28.322 1.767 -12.719 1.00 31.41 H new ATOM 0 HB2 HIS A 69 -29.066 4.032 -12.240 1.00 61.31 H new ATOM 0 HB3 HIS A 69 -27.673 4.714 -13.056 1.00 61.31 H new ATOM 0 HD2 HIS A 69 -27.882 4.871 -15.848 1.00 30.25 H new ATOM 0 HE1 HIS A 69 -31.791 3.253 -16.115 1.00 72.13 H new ATOM 0 HE2 HIS A 69 -29.923 4.411 -17.396 1.00 34.40 H new ATOM 1079 N HIS A 70 -27.088 1.269 -14.812 1.00 61.21 N ATOM 1080 CA HIS A 70 -26.314 0.883 -15.982 1.00 51.00 C ATOM 1081 C HIS A 70 -26.669 1.785 -17.152 1.00 1.42 C ATOM 1082 O HIS A 70 -27.743 1.576 -17.750 1.00 38.39 O ATOM 1083 CB HIS A 70 -26.570 -0.580 -16.356 1.00 73.04 C ATOM 1084 CG HIS A 70 -26.281 -1.554 -15.255 1.00 3.43 C ATOM 1085 ND1 HIS A 70 -26.985 -2.724 -15.089 1.00 52.50 N ATOM 1086 CD2 HIS A 70 -25.352 -1.533 -14.267 1.00 35.23 C ATOM 1087 CE1 HIS A 70 -26.511 -3.377 -14.047 1.00 24.33 C ATOM 1088 NE2 HIS A 70 -25.518 -2.679 -13.530 1.00 72.12 N ATOM 1089 OXT HIS A 70 -25.889 2.709 -17.453 1.00 38.39 O ATOM 0 H HIS A 70 -27.929 0.713 -14.657 1.00 61.21 H new ATOM 0 HA HIS A 70 -25.256 0.992 -15.744 1.00 51.00 H new ATOM 0 HB2 HIS A 70 -27.611 -0.689 -16.659 1.00 73.04 H new ATOM 0 HB3 HIS A 70 -25.958 -0.835 -17.221 1.00 73.04 H new ATOM 0 HD2 HIS A 70 -24.619 -0.759 -14.093 1.00 35.23 H new ATOM 0 HE1 HIS A 70 -26.875 -4.325 -13.678 1.00 24.33 H new ATOM 0 HE2 HIS A 70 -24.965 -2.947 -12.716 1.00 72.12 H new TER 1098 HIS A 70