USER MOD reduce.3.24.130724 H: found=0, std=0, add=624, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 624 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 28 HIS : no HD1:sc= -0.299 X(o=-0.33,f=-0.33) USER MOD Set 1.2: A 53 TYR OH : rot 180:sc= -0.0339 USER MOD Set 2.1: A 7 THR OG1 : rot -128:sc= 1.51 USER MOD Set 2.2: A 42 HIS : no HE2:sc= 0.818 K(o=2.3,f=-5.6!) USER MOD Set 3.1: A 9 TYR OH : rot 180:sc= 0.00043 USER MOD Set 3.2: A 30 SER OG : rot 84:sc=0.000446 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 MET CE :methyl 176:sc= -0.493 (180deg=-0.604) USER MOD Single : A 10 ASN : amide:sc= -0.0441 X(o=-0.044,f=0) USER MOD Single : A 13 MET CE :methyl -179:sc= -0.991 (180deg=-0.992) USER MOD Single : A 16 GLN : amide:sc= 0.785 K(o=0.78,f=0) USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 20 THR OG1 : rot -117:sc= 1.42 USER MOD Single : A 33 LYS NZ :NH3+ -138:sc= 0.958 (180deg=-0.268!) USER MOD Single : A 43 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 MET CE :methyl -135:sc= -1.39 (180deg=-2.05) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= -3.11! K(o=-3.1!,f=-0.029) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 57 GLN : amide:sc= 0.0985 X(o=0.099,f=-0.35) USER MOD Single : A 61 THR OG1 : rot 93:sc= 0.935 USER MOD Single : A 62 THR OG1 : rot -150:sc= 0 USER MOD Single : A 63 ASN : amide:sc= 0.695 K(o=0.69,f=-4.1!) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 131:sc= 0.128 USER MOD Single : A 70 MET CE :methyl -135:sc= 0 (180deg=-1.55!) USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=-0.0063) USER MOD Single : A 77 HIS : no HD1:sc= -0.0156 X(o=-0.016,f=-0.016) USER MOD Single : A 78 HIS : no HD1:sc= 0 X(o=0,f=-0.049) USER MOD Single : A 79 HIS : no HD1:sc= -0.127 X(o=-0.13,f=-0.072) USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 17.195 -7.890 -5.545 1.00 23.12 N ATOM 2 CA MET A 1 16.671 -8.727 -6.661 1.00 52.12 C ATOM 3 C MET A 1 15.987 -9.989 -6.113 1.00 55.03 C ATOM 4 O MET A 1 14.767 -10.135 -6.205 1.00 14.53 O ATOM 5 CB MET A 1 17.815 -9.098 -7.621 1.00 71.11 C ATOM 6 CG MET A 1 17.358 -9.772 -8.913 1.00 40.31 C ATOM 7 SD MET A 1 16.632 -11.398 -8.639 1.00 21.20 S ATOM 8 CE MET A 1 16.180 -11.851 -10.313 1.00 44.33 C ATOM 0 H1 MET A 1 17.654 -7.041 -5.933 1.00 23.12 H new ATOM 0 H2 MET A 1 16.409 -7.606 -4.926 1.00 23.12 H new ATOM 0 H3 MET A 1 17.888 -8.438 -4.996 1.00 23.12 H new ATOM 0 HA MET A 1 15.926 -8.153 -7.213 1.00 52.12 H new ATOM 0 HB2 MET A 1 18.370 -8.194 -7.873 1.00 71.11 H new ATOM 0 HB3 MET A 1 18.507 -9.763 -7.103 1.00 71.11 H new ATOM 0 HG2 MET A 1 16.628 -9.134 -9.411 1.00 40.31 H new ATOM 0 HG3 MET A 1 18.209 -9.869 -9.587 1.00 40.31 H new ATOM 0 HE1 MET A 1 15.716 -12.837 -10.310 1.00 44.33 H new ATOM 0 HE2 MET A 1 15.476 -11.120 -10.710 1.00 44.33 H new ATOM 0 HE3 MET A 1 17.073 -11.872 -10.938 1.00 44.33 H new ATOM 20 N ALA A 2 16.774 -10.890 -5.524 1.00 0.24 N ATOM 21 CA ALA A 2 16.231 -12.097 -4.892 1.00 2.31 C ATOM 22 C ALA A 2 15.683 -11.764 -3.496 1.00 61.22 C ATOM 23 O ALA A 2 16.126 -12.309 -2.484 1.00 25.41 O ATOM 24 CB ALA A 2 17.303 -13.182 -4.819 1.00 40.25 C ATOM 0 H ALA A 2 17.789 -10.809 -5.470 1.00 0.24 H new ATOM 0 HA ALA A 2 15.407 -12.476 -5.497 1.00 2.31 H new ATOM 0 HB1 ALA A 2 16.888 -14.073 -4.348 1.00 40.25 H new ATOM 0 HB2 ALA A 2 17.641 -13.428 -5.826 1.00 40.25 H new ATOM 0 HB3 ALA A 2 18.147 -12.821 -4.231 1.00 40.25 H new ATOM 30 N GLY A 3 14.713 -10.863 -3.468 1.00 50.12 N ATOM 31 CA GLY A 3 14.181 -10.334 -2.222 1.00 40.13 C ATOM 32 C GLY A 3 13.617 -8.932 -2.416 1.00 21.00 C ATOM 33 O GLY A 3 13.789 -8.345 -3.488 1.00 13.01 O ATOM 0 H GLY A 3 14.274 -10.479 -4.305 1.00 50.12 H new ATOM 0 HA2 GLY A 3 13.399 -10.995 -1.847 1.00 40.13 H new ATOM 0 HA3 GLY A 3 14.968 -10.311 -1.468 1.00 40.13 H new ATOM 37 N ASP A 4 12.954 -8.398 -1.393 1.00 43.03 N ATOM 38 CA ASP A 4 12.292 -7.091 -1.487 1.00 42.41 C ATOM 39 C ASP A 4 11.281 -7.072 -2.656 1.00 71.21 C ATOM 40 O ASP A 4 11.599 -6.619 -3.757 1.00 23.13 O ATOM 41 CB ASP A 4 13.327 -5.965 -1.659 1.00 40.14 C ATOM 42 CG ASP A 4 14.370 -5.951 -0.553 1.00 63.14 C ATOM 43 OD1 ASP A 4 15.409 -6.631 -0.695 1.00 25.34 O ATOM 44 OD2 ASP A 4 14.162 -5.248 0.461 1.00 25.04 O ATOM 0 H ASP A 4 12.858 -8.850 -0.483 1.00 43.03 H new ATOM 0 HA ASP A 4 11.749 -6.922 -0.557 1.00 42.41 H new ATOM 0 HB2 ASP A 4 13.826 -6.080 -2.621 1.00 40.14 H new ATOM 0 HB3 ASP A 4 12.812 -5.004 -1.679 1.00 40.14 H new ATOM 49 N PRO A 5 10.048 -7.574 -2.435 1.00 55.34 N ATOM 50 CA PRO A 5 9.041 -7.722 -3.510 1.00 25.31 C ATOM 51 C PRO A 5 8.684 -6.397 -4.211 1.00 10.23 C ATOM 52 O PRO A 5 8.204 -6.400 -5.345 1.00 42.22 O ATOM 53 CB PRO A 5 7.814 -8.296 -2.777 1.00 34.14 C ATOM 54 CG PRO A 5 8.047 -7.995 -1.331 1.00 21.31 C ATOM 55 CD PRO A 5 9.537 -8.044 -1.137 1.00 35.12 C ATOM 0 HA PRO A 5 9.416 -8.354 -4.315 1.00 25.31 H new ATOM 0 HB2 PRO A 5 6.892 -7.835 -3.132 1.00 34.14 H new ATOM 0 HB3 PRO A 5 7.720 -9.369 -2.946 1.00 34.14 H new ATOM 0 HG2 PRO A 5 7.650 -7.015 -1.067 1.00 21.31 H new ATOM 0 HG3 PRO A 5 7.546 -8.724 -0.694 1.00 21.31 H new ATOM 0 HD2 PRO A 5 9.860 -7.401 -0.318 1.00 35.12 H new ATOM 0 HD3 PRO A 5 9.882 -9.052 -0.907 1.00 35.12 H new ATOM 63 N MET A 6 8.915 -5.276 -3.526 1.00 52.22 N ATOM 64 CA MET A 6 8.623 -3.937 -4.066 1.00 54.32 C ATOM 65 C MET A 6 7.144 -3.782 -4.486 1.00 54.53 C ATOM 66 O MET A 6 6.333 -3.272 -3.714 1.00 71.14 O ATOM 67 CB MET A 6 9.554 -3.612 -5.250 1.00 14.33 C ATOM 68 CG MET A 6 11.037 -3.590 -4.884 1.00 23.21 C ATOM 69 SD MET A 6 12.109 -3.306 -6.310 1.00 62.32 S ATOM 70 CE MET A 6 11.556 -1.690 -6.858 1.00 11.11 C ATOM 0 H MET A 6 9.308 -5.265 -2.585 1.00 52.22 H new ATOM 0 HA MET A 6 8.807 -3.224 -3.263 1.00 54.32 H new ATOM 0 HB2 MET A 6 9.395 -4.349 -6.037 1.00 14.33 H new ATOM 0 HB3 MET A 6 9.277 -2.641 -5.661 1.00 14.33 H new ATOM 0 HG2 MET A 6 11.212 -2.810 -4.143 1.00 23.21 H new ATOM 0 HG3 MET A 6 11.305 -4.538 -4.417 1.00 23.21 H new ATOM 0 HE1 MET A 6 12.178 -1.355 -7.688 1.00 11.11 H new ATOM 0 HE2 MET A 6 10.518 -1.752 -7.184 1.00 11.11 H new ATOM 0 HE3 MET A 6 11.636 -0.980 -6.035 1.00 11.11 H new ATOM 80 N THR A 7 6.817 -4.248 -5.703 1.00 73.52 N ATOM 81 CA THR A 7 5.470 -4.113 -6.316 1.00 22.34 C ATOM 82 C THR A 7 4.807 -2.744 -6.051 1.00 63.35 C ATOM 83 O THR A 7 4.822 -1.863 -6.912 1.00 54.02 O ATOM 84 CB THR A 7 4.495 -5.248 -5.885 1.00 52.34 C ATOM 85 OG1 THR A 7 4.214 -5.183 -4.476 1.00 64.22 O ATOM 86 CG2 THR A 7 5.067 -6.621 -6.225 1.00 2.14 C ATOM 0 H THR A 7 7.483 -4.736 -6.302 1.00 73.52 H new ATOM 0 HA THR A 7 5.656 -4.196 -7.387 1.00 22.34 H new ATOM 0 HB THR A 7 3.567 -5.103 -6.438 1.00 52.34 H new ATOM 0 HG1 THR A 7 4.384 -6.057 -4.068 1.00 64.22 H new ATOM 0 HG21 THR A 7 4.366 -7.395 -5.913 1.00 2.14 H new ATOM 0 HG22 THR A 7 5.230 -6.691 -7.300 1.00 2.14 H new ATOM 0 HG23 THR A 7 6.015 -6.759 -5.705 1.00 2.14 H new ATOM 94 N PHE A 8 4.237 -2.567 -4.858 1.00 70.21 N ATOM 95 CA PHE A 8 3.546 -1.320 -4.503 1.00 42.11 C ATOM 96 C PHE A 8 4.499 -0.118 -4.551 1.00 63.23 C ATOM 97 O PHE A 8 4.097 0.989 -4.906 1.00 34.02 O ATOM 98 CB PHE A 8 2.908 -1.436 -3.112 1.00 2.31 C ATOM 99 CG PHE A 8 2.202 -0.178 -2.662 1.00 73.21 C ATOM 100 CD1 PHE A 8 1.037 0.240 -3.290 1.00 63.55 C ATOM 101 CD2 PHE A 8 2.705 0.587 -1.615 1.00 51.01 C ATOM 102 CE1 PHE A 8 0.389 1.393 -2.884 1.00 5.45 C ATOM 103 CE2 PHE A 8 2.059 1.740 -1.206 1.00 23.14 C ATOM 104 CZ PHE A 8 0.900 2.143 -1.842 1.00 35.34 C ATOM 0 H PHE A 8 4.239 -3.270 -4.119 1.00 70.21 H new ATOM 0 HA PHE A 8 2.760 -1.156 -5.240 1.00 42.11 H new ATOM 0 HB2 PHE A 8 2.195 -2.261 -3.116 1.00 2.31 H new ATOM 0 HB3 PHE A 8 3.682 -1.687 -2.387 1.00 2.31 H new ATOM 0 HD1 PHE A 8 0.632 -0.341 -4.105 1.00 63.55 H new ATOM 0 HD2 PHE A 8 3.611 0.277 -1.115 1.00 51.01 H new ATOM 0 HE1 PHE A 8 -0.517 1.707 -3.382 1.00 5.45 H new ATOM 0 HE2 PHE A 8 2.460 2.324 -0.391 1.00 23.14 H new ATOM 0 HZ PHE A 8 0.394 3.043 -1.525 1.00 35.34 H new ATOM 114 N TYR A 9 5.765 -0.346 -4.198 1.00 55.00 N ATOM 115 CA TYR A 9 6.790 0.703 -4.272 1.00 71.11 C ATOM 116 C TYR A 9 6.885 1.276 -5.696 1.00 4.12 C ATOM 117 O TYR A 9 6.995 2.484 -5.886 1.00 50.14 O ATOM 118 CB TYR A 9 8.152 0.148 -3.830 1.00 34.22 C ATOM 119 CG TYR A 9 9.264 1.188 -3.802 1.00 22.23 C ATOM 120 CD1 TYR A 9 9.291 2.179 -2.824 1.00 73.43 C ATOM 121 CD2 TYR A 9 10.286 1.179 -4.750 1.00 1.14 C ATOM 122 CE1 TYR A 9 10.298 3.128 -2.792 1.00 72.33 C ATOM 123 CE2 TYR A 9 11.297 2.124 -4.723 1.00 63.42 C ATOM 124 CZ TYR A 9 11.300 3.095 -3.744 1.00 43.42 C ATOM 125 OH TYR A 9 12.308 4.037 -3.715 1.00 73.21 O ATOM 0 H TYR A 9 6.107 -1.245 -3.858 1.00 55.00 H new ATOM 0 HA TYR A 9 6.502 1.510 -3.598 1.00 71.11 H new ATOM 0 HB2 TYR A 9 8.050 -0.287 -2.836 1.00 34.22 H new ATOM 0 HB3 TYR A 9 8.440 -0.659 -4.504 1.00 34.22 H new ATOM 0 HD1 TYR A 9 8.512 2.208 -2.077 1.00 73.43 H new ATOM 0 HD2 TYR A 9 10.289 0.421 -5.519 1.00 1.14 H new ATOM 0 HE1 TYR A 9 10.301 3.890 -2.027 1.00 72.33 H new ATOM 0 HE2 TYR A 9 12.081 2.101 -5.466 1.00 63.42 H new ATOM 0 HH TYR A 9 12.932 3.871 -4.452 1.00 73.21 H new ATOM 135 N ASN A 10 6.827 0.394 -6.691 1.00 24.12 N ATOM 136 CA ASN A 10 6.838 0.807 -8.100 1.00 52.43 C ATOM 137 C ASN A 10 5.524 1.514 -8.471 1.00 12.31 C ATOM 138 O ASN A 10 5.526 2.559 -9.125 1.00 35.50 O ATOM 139 CB ASN A 10 7.060 -0.418 -8.998 1.00 4.11 C ATOM 140 CG ASN A 10 7.022 -0.082 -10.480 1.00 23.01 C ATOM 141 OD1 ASN A 10 8.033 0.269 -11.076 1.00 20.55 O ATOM 142 ND2 ASN A 10 5.861 -0.200 -11.093 1.00 1.42 N ATOM 0 H ASN A 10 6.772 -0.615 -6.551 1.00 24.12 H new ATOM 0 HA ASN A 10 7.655 1.512 -8.252 1.00 52.43 H new ATOM 0 HB2 ASN A 10 8.023 -0.868 -8.758 1.00 4.11 H new ATOM 0 HB3 ASN A 10 6.296 -1.164 -8.780 1.00 4.11 H new ATOM 0 HD21 ASN A 10 5.788 0.003 -12.090 1.00 1.42 H new ATOM 0 HD22 ASN A 10 5.036 -0.494 -10.570 1.00 1.42 H new ATOM 149 N PHE A 11 4.408 0.933 -8.034 1.00 34.50 N ATOM 150 CA PHE A 11 3.071 1.478 -8.309 1.00 53.43 C ATOM 151 C PHE A 11 2.917 2.921 -7.792 1.00 1.41 C ATOM 152 O PHE A 11 2.516 3.819 -8.537 1.00 3.11 O ATOM 153 CB PHE A 11 2.007 0.571 -7.670 1.00 12.52 C ATOM 154 CG PHE A 11 0.584 1.033 -7.889 1.00 33.05 C ATOM 155 CD1 PHE A 11 -0.022 0.894 -9.131 1.00 42.15 C ATOM 156 CD2 PHE A 11 -0.145 1.605 -6.854 1.00 25.13 C ATOM 157 CE1 PHE A 11 -1.323 1.317 -9.334 1.00 73.51 C ATOM 158 CE2 PHE A 11 -1.445 2.027 -7.053 1.00 75.31 C ATOM 159 CZ PHE A 11 -2.035 1.882 -8.294 1.00 52.31 C ATOM 0 H PHE A 11 4.400 0.075 -7.482 1.00 34.50 H new ATOM 0 HA PHE A 11 2.936 1.506 -9.390 1.00 53.43 H new ATOM 0 HB2 PHE A 11 2.116 -0.436 -8.072 1.00 12.52 H new ATOM 0 HB3 PHE A 11 2.196 0.508 -6.598 1.00 12.52 H new ATOM 0 HD1 PHE A 11 0.529 0.451 -9.947 1.00 42.15 H new ATOM 0 HD2 PHE A 11 0.310 1.721 -5.882 1.00 25.13 H new ATOM 0 HE1 PHE A 11 -1.782 1.206 -10.305 1.00 73.51 H new ATOM 0 HE2 PHE A 11 -2.000 2.470 -6.239 1.00 75.31 H new ATOM 0 HZ PHE A 11 -3.052 2.210 -8.451 1.00 52.31 H new ATOM 169 N ILE A 12 3.246 3.134 -6.519 1.00 65.14 N ATOM 170 CA ILE A 12 3.060 4.439 -5.878 1.00 73.14 C ATOM 171 C ILE A 12 3.946 5.529 -6.517 1.00 61.25 C ATOM 172 O ILE A 12 3.510 6.671 -6.689 1.00 53.43 O ATOM 173 CB ILE A 12 3.328 4.359 -4.350 1.00 43.11 C ATOM 174 CG1 ILE A 12 2.894 5.661 -3.651 1.00 21.33 C ATOM 175 CG2 ILE A 12 4.797 4.056 -4.057 1.00 21.30 C ATOM 176 CD1 ILE A 12 1.415 5.966 -3.780 1.00 22.12 C ATOM 0 H ILE A 12 3.643 2.420 -5.909 1.00 65.14 H new ATOM 0 HA ILE A 12 2.019 4.720 -6.036 1.00 73.14 H new ATOM 0 HB ILE A 12 2.732 3.538 -3.952 1.00 43.11 H new ATOM 0 HG12 ILE A 12 3.150 5.597 -2.594 1.00 21.33 H new ATOM 0 HG13 ILE A 12 3.464 6.492 -4.067 1.00 21.33 H new ATOM 0 HG21 ILE A 12 4.950 4.007 -2.979 1.00 21.30 H new ATOM 0 HG22 ILE A 12 5.068 3.100 -4.506 1.00 21.30 H new ATOM 0 HG23 ILE A 12 5.422 4.844 -4.477 1.00 21.30 H new ATOM 0 HD11 ILE A 12 1.189 6.898 -3.262 1.00 22.12 H new ATOM 0 HD12 ILE A 12 1.154 6.065 -4.834 1.00 22.12 H new ATOM 0 HD13 ILE A 12 0.836 5.155 -3.337 1.00 22.12 H new ATOM 188 N MET A 13 5.181 5.173 -6.889 1.00 4.54 N ATOM 189 CA MET A 13 6.099 6.132 -7.529 1.00 40.11 C ATOM 190 C MET A 13 5.549 6.639 -8.874 1.00 11.20 C ATOM 191 O MET A 13 5.931 7.712 -9.344 1.00 1.14 O ATOM 192 CB MET A 13 7.492 5.520 -7.733 1.00 41.44 C ATOM 193 CG MET A 13 8.242 5.233 -6.438 1.00 4.40 C ATOM 194 SD MET A 13 9.959 4.750 -6.719 1.00 71.03 S ATOM 195 CE MET A 13 9.750 3.339 -7.808 1.00 11.01 C ATOM 0 H MET A 13 5.568 4.238 -6.761 1.00 4.54 H new ATOM 0 HA MET A 13 6.185 6.982 -6.853 1.00 40.11 H new ATOM 0 HB2 MET A 13 7.390 4.591 -8.295 1.00 41.44 H new ATOM 0 HB3 MET A 13 8.089 6.198 -8.343 1.00 41.44 H new ATOM 0 HG2 MET A 13 8.217 6.120 -5.805 1.00 4.40 H new ATOM 0 HG3 MET A 13 7.730 4.439 -5.895 1.00 4.40 H new ATOM 0 HE1 MET A 13 10.726 2.922 -8.054 1.00 11.01 H new ATOM 0 HE2 MET A 13 9.146 2.581 -7.309 1.00 11.01 H new ATOM 0 HE3 MET A 13 9.250 3.657 -8.723 1.00 11.01 H new ATOM 205 N GLY A 14 4.651 5.869 -9.487 1.00 72.33 N ATOM 206 CA GLY A 14 4.006 6.302 -10.722 1.00 24.42 C ATOM 207 C GLY A 14 3.242 7.617 -10.561 1.00 65.33 C ATOM 208 O GLY A 14 3.156 8.414 -11.496 1.00 61.14 O ATOM 0 H GLY A 14 4.357 4.952 -9.152 1.00 72.33 H new ATOM 0 HA2 GLY A 14 4.761 6.418 -11.500 1.00 24.42 H new ATOM 0 HA3 GLY A 14 3.318 5.526 -11.059 1.00 24.42 H new ATOM 212 N PHE A 15 2.701 7.848 -9.362 1.00 50.13 N ATOM 213 CA PHE A 15 1.954 9.079 -9.067 1.00 41.42 C ATOM 214 C PHE A 15 2.875 10.183 -8.520 1.00 11.41 C ATOM 215 O PHE A 15 2.459 11.330 -8.361 1.00 50.20 O ATOM 216 CB PHE A 15 0.842 8.790 -8.052 1.00 55.31 C ATOM 217 CG PHE A 15 -0.103 7.692 -8.480 1.00 73.14 C ATOM 218 CD1 PHE A 15 -1.141 7.954 -9.365 1.00 63.11 C ATOM 219 CD2 PHE A 15 0.051 6.396 -8.000 1.00 45.12 C ATOM 220 CE1 PHE A 15 -2.003 6.948 -9.760 1.00 60.44 C ATOM 221 CE2 PHE A 15 -0.809 5.390 -8.394 1.00 41.51 C ATOM 222 CZ PHE A 15 -1.836 5.666 -9.274 1.00 64.43 C ATOM 0 H PHE A 15 2.765 7.199 -8.577 1.00 50.13 H new ATOM 0 HA PHE A 15 1.518 9.432 -10.001 1.00 41.42 H new ATOM 0 HB2 PHE A 15 1.295 8.516 -7.099 1.00 55.31 H new ATOM 0 HB3 PHE A 15 0.271 9.703 -7.883 1.00 55.31 H new ATOM 0 HD1 PHE A 15 -1.276 8.954 -9.749 1.00 63.11 H new ATOM 0 HD2 PHE A 15 0.852 6.174 -7.311 1.00 45.12 H new ATOM 0 HE1 PHE A 15 -2.807 7.164 -10.448 1.00 60.44 H new ATOM 0 HE2 PHE A 15 -0.678 4.388 -8.014 1.00 41.51 H new ATOM 0 HZ PHE A 15 -2.509 4.880 -9.582 1.00 64.43 H new ATOM 232 N GLN A 16 4.132 9.826 -8.247 1.00 62.25 N ATOM 233 CA GLN A 16 5.119 10.763 -7.685 1.00 71.12 C ATOM 234 C GLN A 16 5.540 11.832 -8.712 1.00 64.23 C ATOM 235 O GLN A 16 6.212 12.808 -8.370 1.00 13.21 O ATOM 236 CB GLN A 16 6.348 9.976 -7.182 1.00 45.33 C ATOM 237 CG GLN A 16 7.439 10.828 -6.521 1.00 41.40 C ATOM 238 CD GLN A 16 8.737 10.864 -7.318 1.00 21.01 C ATOM 239 OE1 GLN A 16 9.626 10.036 -7.128 1.00 41.14 O ATOM 240 NE2 GLN A 16 8.854 11.818 -8.219 1.00 34.12 N ATOM 0 H GLN A 16 4.497 8.887 -8.406 1.00 62.25 H new ATOM 0 HA GLN A 16 4.657 11.287 -6.848 1.00 71.12 H new ATOM 0 HB2 GLN A 16 6.012 9.225 -6.467 1.00 45.33 H new ATOM 0 HB3 GLN A 16 6.787 9.440 -8.024 1.00 45.33 H new ATOM 0 HG2 GLN A 16 7.070 11.846 -6.394 1.00 41.40 H new ATOM 0 HG3 GLN A 16 7.643 10.437 -5.524 1.00 41.40 H new ATOM 0 HE21 GLN A 16 8.098 12.489 -8.352 1.00 34.12 H new ATOM 0 HE22 GLN A 16 9.701 11.885 -8.784 1.00 34.12 H new ATOM 249 N ASN A 17 5.138 11.645 -9.969 1.00 51.31 N ATOM 250 CA ASN A 17 5.474 12.589 -11.039 1.00 5.14 C ATOM 251 C ASN A 17 4.677 13.902 -10.901 1.00 55.13 C ATOM 252 O ASN A 17 5.256 14.990 -10.854 1.00 14.33 O ATOM 253 CB ASN A 17 5.210 11.951 -12.407 1.00 53.20 C ATOM 254 CG ASN A 17 5.785 12.772 -13.550 1.00 24.13 C ATOM 255 OD1 ASN A 17 5.131 13.656 -14.090 1.00 12.40 O ATOM 256 ND2 ASN A 17 7.014 12.489 -13.923 1.00 25.44 N ATOM 0 H ASN A 17 4.579 10.848 -10.273 1.00 51.31 H new ATOM 0 HA ASN A 17 6.534 12.830 -10.954 1.00 5.14 H new ATOM 0 HB2 ASN A 17 5.643 10.951 -12.428 1.00 53.20 H new ATOM 0 HB3 ASN A 17 4.136 11.836 -12.550 1.00 53.20 H new ATOM 0 HD21 ASN A 17 7.450 13.012 -14.683 1.00 25.44 H new ATOM 0 HD22 ASN A 17 7.532 11.747 -13.453 1.00 25.44 H new ATOM 263 N ASP A 18 3.352 13.789 -10.829 1.00 15.14 N ATOM 264 CA ASP A 18 2.474 14.961 -10.714 1.00 42.34 C ATOM 265 C ASP A 18 2.306 15.408 -9.251 1.00 21.02 C ATOM 266 O ASP A 18 2.649 14.680 -8.319 1.00 70.12 O ATOM 267 CB ASP A 18 1.098 14.639 -11.308 1.00 0.40 C ATOM 268 CG ASP A 18 1.187 14.136 -12.735 1.00 22.35 C ATOM 269 OD1 ASP A 18 1.344 14.964 -13.656 1.00 10.41 O ATOM 270 OD2 ASP A 18 1.107 12.908 -12.944 1.00 62.44 O ATOM 0 H ASP A 18 2.858 12.897 -10.848 1.00 15.14 H new ATOM 0 HA ASP A 18 2.940 15.778 -11.266 1.00 42.34 H new ATOM 0 HB2 ASP A 18 0.606 13.887 -10.691 1.00 0.40 H new ATOM 0 HB3 ASP A 18 0.475 15.533 -11.279 1.00 0.40 H new ATOM 275 N ASN A 19 1.764 16.609 -9.059 1.00 53.10 N ATOM 276 CA ASN A 19 1.459 17.114 -7.716 1.00 2.50 C ATOM 277 C ASN A 19 0.312 16.305 -7.086 1.00 44.13 C ATOM 278 O ASN A 19 -0.867 16.626 -7.262 1.00 61.23 O ATOM 279 CB ASN A 19 1.091 18.605 -7.774 1.00 70.24 C ATOM 280 CG ASN A 19 0.763 19.186 -6.407 1.00 1.50 C ATOM 281 OD1 ASN A 19 -0.380 19.157 -5.965 1.00 34.21 O ATOM 282 ND2 ASN A 19 1.756 19.722 -5.730 1.00 14.24 N ATOM 0 H ASN A 19 1.526 17.252 -9.814 1.00 53.10 H new ATOM 0 HA ASN A 19 2.347 17.000 -7.094 1.00 2.50 H new ATOM 0 HB2 ASN A 19 1.920 19.162 -8.211 1.00 70.24 H new ATOM 0 HB3 ASN A 19 0.234 18.737 -8.435 1.00 70.24 H new ATOM 0 HD21 ASN A 19 1.585 20.129 -4.810 1.00 14.24 H new ATOM 0 HD22 ASN A 19 2.696 19.731 -6.125 1.00 14.24 H new ATOM 289 N THR A 20 0.663 15.231 -6.383 1.00 70.32 N ATOM 290 CA THR A 20 -0.333 14.346 -5.763 1.00 43.41 C ATOM 291 C THR A 20 0.058 13.979 -4.328 1.00 72.15 C ATOM 292 O THR A 20 1.243 13.849 -4.012 1.00 62.51 O ATOM 293 CB THR A 20 -0.510 13.023 -6.560 1.00 14.22 C ATOM 294 OG1 THR A 20 0.667 12.209 -6.439 1.00 43.54 O ATOM 295 CG2 THR A 20 -0.791 13.290 -8.036 1.00 44.43 C ATOM 0 H THR A 20 1.630 14.948 -6.225 1.00 70.32 H new ATOM 0 HA THR A 20 -1.269 14.904 -5.765 1.00 43.41 H new ATOM 0 HB THR A 20 -1.366 12.498 -6.137 1.00 14.22 H new ATOM 0 HG1 THR A 20 1.072 12.086 -7.323 1.00 43.54 H new ATOM 0 HG21 THR A 20 -0.909 12.342 -8.561 1.00 44.43 H new ATOM 0 HG22 THR A 20 -1.706 13.874 -8.132 1.00 44.43 H new ATOM 0 HG23 THR A 20 0.041 13.844 -8.470 1.00 44.43 H new ATOM 303 N PRO A 21 -0.931 13.803 -3.432 1.00 30.33 N ATOM 304 CA PRO A 21 -0.672 13.316 -2.066 1.00 21.22 C ATOM 305 C PRO A 21 -0.066 11.904 -2.074 1.00 21.00 C ATOM 306 O PRO A 21 0.637 11.505 -1.143 1.00 33.03 O ATOM 307 CB PRO A 21 -2.062 13.320 -1.408 1.00 0.04 C ATOM 308 CG PRO A 21 -3.032 13.319 -2.544 1.00 31.44 C ATOM 309 CD PRO A 21 -2.364 14.073 -3.659 1.00 75.24 C ATOM 0 HA PRO A 21 0.051 13.934 -1.534 1.00 21.22 H new ATOM 0 HB2 PRO A 21 -2.199 12.446 -0.772 1.00 0.04 H new ATOM 0 HB3 PRO A 21 -2.196 14.198 -0.776 1.00 0.04 H new ATOM 0 HG2 PRO A 21 -3.273 12.301 -2.851 1.00 31.44 H new ATOM 0 HG3 PRO A 21 -3.969 13.796 -2.257 1.00 31.44 H new ATOM 0 HD2 PRO A 21 -2.691 13.720 -4.637 1.00 75.24 H new ATOM 0 HD3 PRO A 21 -2.586 15.139 -3.614 1.00 75.24 H new ATOM 317 N PHE A 22 -0.344 11.158 -3.145 1.00 72.23 N ATOM 318 CA PHE A 22 0.239 9.829 -3.345 1.00 4.14 C ATOM 319 C PHE A 22 1.755 9.937 -3.578 1.00 55.11 C ATOM 320 O PHE A 22 2.533 9.111 -3.098 1.00 52.41 O ATOM 321 CB PHE A 22 -0.424 9.139 -4.542 1.00 55.14 C ATOM 322 CG PHE A 22 -1.931 9.123 -4.473 1.00 31.51 C ATOM 323 CD1 PHE A 22 -2.591 8.304 -3.569 1.00 35.31 C ATOM 324 CD2 PHE A 22 -2.688 9.931 -5.309 1.00 75.34 C ATOM 325 CE1 PHE A 22 -3.972 8.293 -3.499 1.00 43.03 C ATOM 326 CE2 PHE A 22 -4.068 9.923 -5.244 1.00 32.01 C ATOM 327 CZ PHE A 22 -4.713 9.102 -4.338 1.00 2.43 C ATOM 0 H PHE A 22 -0.973 11.454 -3.891 1.00 72.23 H new ATOM 0 HA PHE A 22 0.064 9.235 -2.448 1.00 4.14 H new ATOM 0 HB2 PHE A 22 -0.116 9.644 -5.458 1.00 55.14 H new ATOM 0 HB3 PHE A 22 -0.061 8.113 -4.606 1.00 55.14 H new ATOM 0 HD1 PHE A 22 -2.019 7.667 -2.911 1.00 35.31 H new ATOM 0 HD2 PHE A 22 -2.192 10.575 -6.020 1.00 75.34 H new ATOM 0 HE1 PHE A 22 -4.471 7.652 -2.788 1.00 43.03 H new ATOM 0 HE2 PHE A 22 -4.643 10.558 -5.901 1.00 32.01 H new ATOM 0 HZ PHE A 22 -5.792 9.093 -4.286 1.00 2.43 H new ATOM 337 N GLY A 23 2.159 10.972 -4.317 1.00 22.24 N ATOM 338 CA GLY A 23 3.573 11.250 -4.527 1.00 33.33 C ATOM 339 C GLY A 23 4.321 11.499 -3.224 1.00 71.22 C ATOM 340 O GLY A 23 5.456 11.052 -3.055 1.00 60.31 O ATOM 0 H GLY A 23 1.526 11.627 -4.777 1.00 22.24 H new ATOM 0 HA2 GLY A 23 4.031 10.410 -5.050 1.00 33.33 H new ATOM 0 HA3 GLY A 23 3.676 12.122 -5.173 1.00 33.33 H new ATOM 344 N ILE A 24 3.675 12.211 -2.299 1.00 2.44 N ATOM 345 CA ILE A 24 4.250 12.471 -0.972 1.00 62.52 C ATOM 346 C ILE A 24 4.509 11.153 -0.218 1.00 23.32 C ATOM 347 O ILE A 24 5.529 10.996 0.455 1.00 11.04 O ATOM 348 CB ILE A 24 3.327 13.384 -0.124 1.00 21.53 C ATOM 349 CG1 ILE A 24 3.087 14.720 -0.850 1.00 75.53 C ATOM 350 CG2 ILE A 24 3.922 13.621 1.266 1.00 22.23 C ATOM 351 CD1 ILE A 24 2.168 15.670 -0.108 1.00 25.42 C ATOM 0 H ILE A 24 2.752 12.620 -2.442 1.00 2.44 H new ATOM 0 HA ILE A 24 5.199 12.985 -1.126 1.00 62.52 H new ATOM 0 HB ILE A 24 2.368 12.882 0.004 1.00 21.53 H new ATOM 0 HG12 ILE A 24 4.047 15.211 -1.011 1.00 75.53 H new ATOM 0 HG13 ILE A 24 2.664 14.516 -1.834 1.00 75.53 H new ATOM 0 HG21 ILE A 24 3.257 14.264 1.842 1.00 22.23 H new ATOM 0 HG22 ILE A 24 4.038 12.667 1.780 1.00 22.23 H new ATOM 0 HG23 ILE A 24 4.896 14.101 1.168 1.00 22.23 H new ATOM 0 HD11 ILE A 24 2.050 16.587 -0.685 1.00 25.42 H new ATOM 0 HD12 ILE A 24 1.194 15.200 0.030 1.00 25.42 H new ATOM 0 HD13 ILE A 24 2.598 15.906 0.865 1.00 25.42 H new ATOM 363 N LEU A 25 3.580 10.208 -0.343 1.00 1.34 N ATOM 364 CA LEU A 25 3.760 8.868 0.228 1.00 44.20 C ATOM 365 C LEU A 25 4.972 8.173 -0.426 1.00 63.10 C ATOM 366 O LEU A 25 5.833 7.617 0.261 1.00 23.32 O ATOM 367 CB LEU A 25 2.466 8.041 0.031 1.00 75.11 C ATOM 368 CG LEU A 25 2.352 6.712 0.818 1.00 73.34 C ATOM 369 CD1 LEU A 25 3.233 5.615 0.219 1.00 15.30 C ATOM 370 CD2 LEU A 25 2.685 6.927 2.293 1.00 21.41 C ATOM 0 H LEU A 25 2.695 10.341 -0.833 1.00 1.34 H new ATOM 0 HA LEU A 25 3.956 8.949 1.297 1.00 44.20 H new ATOM 0 HB2 LEU A 25 1.618 8.669 0.303 1.00 75.11 H new ATOM 0 HB3 LEU A 25 2.367 7.815 -1.031 1.00 75.11 H new ATOM 0 HG LEU A 25 1.318 6.377 0.740 1.00 73.34 H new ATOM 0 HD11 LEU A 25 3.122 4.701 0.802 1.00 15.30 H new ATOM 0 HD12 LEU A 25 2.931 5.427 -0.811 1.00 15.30 H new ATOM 0 HD13 LEU A 25 4.275 5.934 0.239 1.00 15.30 H new ATOM 0 HD21 LEU A 25 2.599 5.981 2.827 1.00 21.41 H new ATOM 0 HD22 LEU A 25 3.704 7.304 2.385 1.00 21.41 H new ATOM 0 HD23 LEU A 25 1.991 7.650 2.721 1.00 21.41 H new ATOM 382 N ALA A 26 5.034 8.234 -1.758 1.00 13.32 N ATOM 383 CA ALA A 26 6.126 7.621 -2.528 1.00 1.33 C ATOM 384 C ALA A 26 7.505 8.176 -2.133 1.00 63.13 C ATOM 385 O ALA A 26 8.419 7.417 -1.803 1.00 55.52 O ATOM 386 CB ALA A 26 5.887 7.817 -4.024 1.00 4.12 C ATOM 0 H ALA A 26 4.336 8.705 -2.333 1.00 13.32 H new ATOM 0 HA ALA A 26 6.129 6.556 -2.295 1.00 1.33 H new ATOM 0 HB1 ALA A 26 6.701 7.359 -4.586 1.00 4.12 H new ATOM 0 HB2 ALA A 26 4.944 7.349 -4.306 1.00 4.12 H new ATOM 0 HB3 ALA A 26 5.845 8.883 -4.249 1.00 4.12 H new ATOM 392 N GLU A 27 7.650 9.499 -2.163 1.00 64.44 N ATOM 393 CA GLU A 27 8.928 10.138 -1.829 1.00 75.20 C ATOM 394 C GLU A 27 9.320 9.883 -0.364 1.00 24.02 C ATOM 395 O GLU A 27 10.502 9.814 -0.040 1.00 31.01 O ATOM 396 CB GLU A 27 8.878 11.652 -2.105 1.00 63.11 C ATOM 397 CG GLU A 27 7.854 12.405 -1.262 1.00 50.21 C ATOM 398 CD GLU A 27 7.878 13.910 -1.492 1.00 54.13 C ATOM 399 OE1 GLU A 27 7.337 14.374 -2.518 1.00 74.11 O ATOM 400 OE2 GLU A 27 8.428 14.639 -0.639 1.00 14.45 O ATOM 0 H GLU A 27 6.905 10.149 -2.413 1.00 64.44 H new ATOM 0 HA GLU A 27 9.688 9.690 -2.469 1.00 75.20 H new ATOM 0 HB2 GLU A 27 9.865 12.076 -1.923 1.00 63.11 H new ATOM 0 HB3 GLU A 27 8.652 11.811 -3.159 1.00 63.11 H new ATOM 0 HG2 GLU A 27 6.857 12.025 -1.488 1.00 50.21 H new ATOM 0 HG3 GLU A 27 8.041 12.202 -0.208 1.00 50.21 H new ATOM 407 N HIS A 28 8.328 9.729 0.516 1.00 11.44 N ATOM 408 CA HIS A 28 8.598 9.500 1.940 1.00 33.44 C ATOM 409 C HIS A 28 9.076 8.062 2.210 1.00 12.22 C ATOM 410 O HIS A 28 9.945 7.845 3.049 1.00 43.40 O ATOM 411 CB HIS A 28 7.357 9.809 2.783 1.00 30.22 C ATOM 412 CG HIS A 28 7.637 9.842 4.258 1.00 13.10 C ATOM 413 ND1 HIS A 28 7.887 11.006 4.947 1.00 31.44 N ATOM 414 CD2 HIS A 28 7.730 8.847 5.172 1.00 5.12 C ATOM 415 CE1 HIS A 28 8.123 10.730 6.211 1.00 74.33 C ATOM 416 NE2 HIS A 28 8.039 9.425 6.381 1.00 55.10 N ATOM 0 H HIS A 28 7.338 9.758 0.272 1.00 11.44 H new ATOM 0 HA HIS A 28 9.402 10.178 2.228 1.00 33.44 H new ATOM 0 HB2 HIS A 28 6.947 10.771 2.476 1.00 30.22 H new ATOM 0 HB3 HIS A 28 6.593 9.058 2.582 1.00 30.22 H new ATOM 0 HD2 HIS A 28 7.588 7.793 4.986 1.00 5.12 H new ATOM 0 HE1 HIS A 28 8.348 11.452 6.982 1.00 74.33 H new ATOM 0 HE2 HIS A 28 8.179 8.928 7.261 1.00 55.10 H new ATOM 425 N VAL A 29 8.493 7.081 1.520 1.00 60.12 N ATOM 426 CA VAL A 29 8.926 5.681 1.676 1.00 4.54 C ATOM 427 C VAL A 29 10.258 5.423 0.950 1.00 15.31 C ATOM 428 O VAL A 29 10.987 4.483 1.272 1.00 43.44 O ATOM 429 CB VAL A 29 7.853 4.678 1.174 1.00 11.51 C ATOM 430 CG1 VAL A 29 6.553 4.837 1.958 1.00 14.04 C ATOM 431 CG2 VAL A 29 7.606 4.839 -0.323 1.00 72.03 C ATOM 0 H VAL A 29 7.731 7.220 0.856 1.00 60.12 H new ATOM 0 HA VAL A 29 9.068 5.520 2.745 1.00 4.54 H new ATOM 0 HB VAL A 29 8.232 3.670 1.344 1.00 11.51 H new ATOM 0 HG11 VAL A 29 5.816 4.124 1.589 1.00 14.04 H new ATOM 0 HG12 VAL A 29 6.741 4.650 3.015 1.00 14.04 H new ATOM 0 HG13 VAL A 29 6.173 5.851 1.830 1.00 14.04 H new ATOM 0 HG21 VAL A 29 6.850 4.123 -0.646 1.00 72.03 H new ATOM 0 HG22 VAL A 29 7.258 5.852 -0.528 1.00 72.03 H new ATOM 0 HG23 VAL A 29 8.533 4.657 -0.866 1.00 72.03 H new ATOM 441 N SER A 30 10.553 6.260 -0.040 1.00 72.01 N ATOM 442 CA SER A 30 11.844 6.233 -0.740 1.00 32.33 C ATOM 443 C SER A 30 12.940 6.893 0.111 1.00 42.32 C ATOM 444 O SER A 30 14.033 6.344 0.279 1.00 30.43 O ATOM 445 CB SER A 30 11.718 6.960 -2.087 1.00 22.01 C ATOM 446 OG SER A 30 12.962 7.052 -2.762 1.00 34.35 O ATOM 0 H SER A 30 9.911 6.975 -0.382 1.00 72.01 H new ATOM 0 HA SER A 30 12.123 5.194 -0.913 1.00 32.33 H new ATOM 0 HB2 SER A 30 11.002 6.433 -2.717 1.00 22.01 H new ATOM 0 HB3 SER A 30 11.321 7.961 -1.922 1.00 22.01 H new ATOM 0 HG SER A 30 13.126 6.224 -3.260 1.00 34.35 H new ATOM 452 N GLU A 31 12.628 8.070 0.651 1.00 22.52 N ATOM 453 CA GLU A 31 13.560 8.827 1.499 1.00 55.11 C ATOM 454 C GLU A 31 13.254 8.596 2.997 1.00 44.51 C ATOM 455 O GLU A 31 12.841 7.503 3.392 1.00 1.41 O ATOM 456 CB GLU A 31 13.449 10.326 1.163 1.00 14.31 C ATOM 457 CG GLU A 31 13.639 10.663 -0.314 1.00 5.41 C ATOM 458 CD GLU A 31 15.032 10.341 -0.829 1.00 75.23 C ATOM 459 OE1 GLU A 31 15.983 11.062 -0.467 1.00 20.34 O ATOM 460 OE2 GLU A 31 15.186 9.372 -1.601 1.00 1.34 O ATOM 0 H GLU A 31 11.727 8.528 0.516 1.00 22.52 H new ATOM 0 HA GLU A 31 14.575 8.480 1.304 1.00 55.11 H new ATOM 0 HB2 GLU A 31 12.470 10.684 1.481 1.00 14.31 H new ATOM 0 HB3 GLU A 31 14.192 10.871 1.745 1.00 14.31 H new ATOM 0 HG2 GLU A 31 12.905 10.112 -0.903 1.00 5.41 H new ATOM 0 HG3 GLU A 31 13.439 11.724 -0.466 1.00 5.41 H new ATOM 467 N ASP A 32 13.491 9.621 3.830 1.00 72.33 N ATOM 468 CA ASP A 32 13.141 9.582 5.263 1.00 40.35 C ATOM 469 C ASP A 32 14.024 8.600 6.055 1.00 43.34 C ATOM 470 O ASP A 32 14.903 9.017 6.813 1.00 73.23 O ATOM 471 CB ASP A 32 11.645 9.252 5.440 1.00 30.05 C ATOM 472 CG ASP A 32 11.232 9.093 6.894 1.00 34.14 C ATOM 473 OD1 ASP A 32 11.704 9.873 7.742 1.00 55.55 O ATOM 474 OD2 ASP A 32 10.419 8.192 7.195 1.00 51.53 O ATOM 0 H ASP A 32 13.927 10.495 3.535 1.00 72.33 H new ATOM 0 HA ASP A 32 13.333 10.573 5.674 1.00 40.35 H new ATOM 0 HB2 ASP A 32 11.049 10.043 4.985 1.00 30.05 H new ATOM 0 HB3 ASP A 32 11.417 8.332 4.902 1.00 30.05 H new ATOM 479 N LYS A 33 13.794 7.303 5.874 1.00 54.53 N ATOM 480 CA LYS A 33 14.553 6.278 6.602 1.00 13.20 C ATOM 481 C LYS A 33 14.649 4.962 5.809 1.00 71.24 C ATOM 482 O LYS A 33 15.675 4.282 5.858 1.00 75.12 O ATOM 483 CB LYS A 33 13.929 6.023 7.989 1.00 33.42 C ATOM 484 CG LYS A 33 12.464 5.580 7.951 1.00 52.12 C ATOM 485 CD LYS A 33 11.917 5.295 9.353 1.00 23.52 C ATOM 486 CE LYS A 33 11.919 6.540 10.240 1.00 51.20 C ATOM 487 NZ LYS A 33 10.963 7.577 9.764 1.00 3.13 N ATOM 0 H LYS A 33 13.092 6.933 5.233 1.00 54.53 H new ATOM 0 HA LYS A 33 15.566 6.658 6.733 1.00 13.20 H new ATOM 0 HB2 LYS A 33 14.514 5.260 8.502 1.00 33.42 H new ATOM 0 HB3 LYS A 33 14.005 6.935 8.581 1.00 33.42 H new ATOM 0 HG2 LYS A 33 11.862 6.356 7.477 1.00 52.12 H new ATOM 0 HG3 LYS A 33 12.371 4.685 7.336 1.00 52.12 H new ATOM 0 HD2 LYS A 33 10.900 4.910 9.273 1.00 23.52 H new ATOM 0 HD3 LYS A 33 12.517 4.516 9.823 1.00 23.52 H new ATOM 0 HE2 LYS A 33 11.664 6.256 11.261 1.00 51.20 H new ATOM 0 HE3 LYS A 33 12.924 6.961 10.268 1.00 51.20 H new ATOM 0 HZ1 LYS A 33 11.405 8.516 9.834 1.00 3.13 H new ATOM 0 HZ2 LYS A 33 10.710 7.387 8.773 1.00 3.13 H new ATOM 0 HZ3 LYS A 33 10.105 7.554 10.351 1.00 3.13 H new ATOM 501 N ALA A 34 13.576 4.606 5.086 1.00 72.42 N ATOM 502 CA ALA A 34 13.536 3.358 4.298 1.00 0.31 C ATOM 503 C ALA A 34 13.855 2.123 5.164 1.00 5.02 C ATOM 504 O ALA A 34 14.328 1.098 4.665 1.00 71.34 O ATOM 505 CB ALA A 34 14.497 3.457 3.117 1.00 72.44 C ATOM 0 H ALA A 34 12.723 5.163 5.029 1.00 72.42 H new ATOM 0 HA ALA A 34 12.521 3.230 3.921 1.00 0.31 H new ATOM 0 HB1 ALA A 34 14.462 2.532 2.541 1.00 72.44 H new ATOM 0 HB2 ALA A 34 14.206 4.293 2.480 1.00 72.44 H new ATOM 0 HB3 ALA A 34 15.511 3.617 3.485 1.00 72.44 H new ATOM 511 N PHE A 35 13.564 2.228 6.462 1.00 52.43 N ATOM 512 CA PHE A 35 13.870 1.164 7.427 1.00 4.32 C ATOM 513 C PHE A 35 13.090 -0.130 7.131 1.00 24.41 C ATOM 514 O PHE A 35 11.860 -0.156 7.208 1.00 45.50 O ATOM 515 CB PHE A 35 13.568 1.642 8.858 1.00 64.41 C ATOM 516 CG PHE A 35 13.819 0.596 9.922 1.00 12.20 C ATOM 517 CD1 PHE A 35 15.110 0.176 10.213 1.00 55.10 C ATOM 518 CD2 PHE A 35 12.764 0.031 10.626 1.00 52.44 C ATOM 519 CE1 PHE A 35 15.340 -0.783 11.181 1.00 52.44 C ATOM 520 CE2 PHE A 35 12.992 -0.926 11.595 1.00 43.51 C ATOM 521 CZ PHE A 35 14.279 -1.334 11.873 1.00 15.51 C ATOM 0 H PHE A 35 13.113 3.045 6.874 1.00 52.43 H new ATOM 0 HA PHE A 35 14.932 0.937 7.333 1.00 4.32 H new ATOM 0 HB2 PHE A 35 14.179 2.519 9.074 1.00 64.41 H new ATOM 0 HB3 PHE A 35 12.526 1.958 8.912 1.00 64.41 H new ATOM 0 HD1 PHE A 35 15.944 0.604 9.677 1.00 55.10 H new ATOM 0 HD2 PHE A 35 11.752 0.344 10.413 1.00 52.44 H new ATOM 0 HE1 PHE A 35 16.349 -1.102 11.396 1.00 52.44 H new ATOM 0 HE2 PHE A 35 12.161 -1.355 12.136 1.00 43.51 H new ATOM 0 HZ PHE A 35 14.457 -2.083 12.630 1.00 15.51 H new ATOM 531 N PRO A 36 13.804 -1.229 6.805 1.00 22.52 N ATOM 532 CA PRO A 36 13.171 -2.527 6.510 1.00 34.51 C ATOM 533 C PRO A 36 12.632 -3.234 7.769 1.00 64.35 C ATOM 534 O PRO A 36 13.169 -3.079 8.872 1.00 3.45 O ATOM 535 CB PRO A 36 14.317 -3.330 5.883 1.00 61.22 C ATOM 536 CG PRO A 36 15.553 -2.762 6.492 1.00 54.40 C ATOM 537 CD PRO A 36 15.278 -1.295 6.694 1.00 33.45 C ATOM 0 HA PRO A 36 12.297 -2.419 5.867 1.00 34.51 H new ATOM 0 HB2 PRO A 36 14.221 -4.394 6.101 1.00 61.22 H new ATOM 0 HB3 PRO A 36 14.326 -3.226 4.798 1.00 61.22 H new ATOM 0 HG2 PRO A 36 15.782 -3.250 7.439 1.00 54.40 H new ATOM 0 HG3 PRO A 36 16.414 -2.912 5.840 1.00 54.40 H new ATOM 0 HD2 PRO A 36 15.765 -0.916 7.592 1.00 33.45 H new ATOM 0 HD3 PRO A 36 15.644 -0.700 5.858 1.00 33.45 H new ATOM 545 N ARG A 37 11.565 -4.012 7.597 1.00 33.51 N ATOM 546 CA ARG A 37 10.946 -4.753 8.705 1.00 44.15 C ATOM 547 C ARG A 37 11.139 -6.267 8.518 1.00 12.31 C ATOM 548 O ARG A 37 11.811 -6.926 9.316 1.00 22.02 O ATOM 549 CB ARG A 37 9.447 -4.416 8.793 1.00 63.13 C ATOM 550 CG ARG A 37 9.147 -2.915 8.842 1.00 31.05 C ATOM 551 CD ARG A 37 9.844 -2.222 10.011 1.00 2.34 C ATOM 552 NE ARG A 37 9.376 -2.715 11.309 1.00 32.01 N ATOM 553 CZ ARG A 37 10.124 -3.336 12.180 1.00 0.15 C ATOM 554 NH1 ARG A 37 11.369 -3.586 11.930 1.00 61.14 N ATOM 555 NH2 ARG A 37 9.623 -3.707 13.311 1.00 45.51 N ATOM 0 H ARG A 37 11.106 -4.149 6.697 1.00 33.51 H new ATOM 0 HA ARG A 37 11.431 -4.456 9.635 1.00 44.15 H new ATOM 0 HB2 ARG A 37 8.937 -4.850 7.933 1.00 63.13 H new ATOM 0 HB3 ARG A 37 9.031 -4.888 9.683 1.00 63.13 H new ATOM 0 HG2 ARG A 37 9.464 -2.453 7.907 1.00 31.05 H new ATOM 0 HG3 ARG A 37 8.070 -2.764 8.923 1.00 31.05 H new ATOM 0 HD2 ARG A 37 10.920 -2.377 9.933 1.00 2.34 H new ATOM 0 HD3 ARG A 37 9.671 -1.148 9.949 1.00 2.34 H new ATOM 0 HE ARG A 37 8.396 -2.562 11.549 1.00 32.01 H new ATOM 0 HH11 ARG A 37 11.779 -3.297 11.042 1.00 61.14 H new ATOM 0 HH12 ARG A 37 11.940 -4.072 12.621 1.00 61.14 H new ATOM 0 HH21 ARG A 37 8.644 -3.515 13.523 1.00 45.51 H new ATOM 0 HH22 ARG A 37 10.206 -4.192 13.993 1.00 45.51 H new ATOM 569 N LEU A 38 10.551 -6.789 7.443 1.00 2.53 N ATOM 570 CA LEU A 38 10.675 -8.199 7.047 1.00 54.31 C ATOM 571 C LEU A 38 9.817 -8.439 5.793 1.00 5.20 C ATOM 572 O LEU A 38 8.690 -8.937 5.871 1.00 61.34 O ATOM 573 CB LEU A 38 10.257 -9.149 8.186 1.00 3.50 C ATOM 574 CG LEU A 38 10.522 -10.646 7.933 1.00 10.50 C ATOM 575 CD1 LEU A 38 11.994 -10.897 7.604 1.00 75.11 C ATOM 576 CD2 LEU A 38 10.093 -11.484 9.139 1.00 51.20 C ATOM 0 H LEU A 38 9.967 -6.241 6.812 1.00 2.53 H new ATOM 0 HA LEU A 38 11.721 -8.413 6.826 1.00 54.31 H new ATOM 0 HB2 LEU A 38 10.783 -8.853 9.094 1.00 3.50 H new ATOM 0 HB3 LEU A 38 9.192 -9.014 8.376 1.00 3.50 H new ATOM 0 HG LEU A 38 9.926 -10.949 7.072 1.00 10.50 H new ATOM 0 HD11 LEU A 38 12.152 -11.961 7.430 1.00 75.11 H new ATOM 0 HD12 LEU A 38 12.267 -10.339 6.708 1.00 75.11 H new ATOM 0 HD13 LEU A 38 12.614 -10.570 8.438 1.00 75.11 H new ATOM 0 HD21 LEU A 38 10.289 -12.537 8.938 1.00 51.20 H new ATOM 0 HD22 LEU A 38 10.656 -11.171 10.018 1.00 51.20 H new ATOM 0 HD23 LEU A 38 9.028 -11.341 9.321 1.00 51.20 H new ATOM 588 N GLU A 39 10.359 -8.055 4.642 1.00 51.53 N ATOM 589 CA GLU A 39 9.592 -7.983 3.397 1.00 23.40 C ATOM 590 C GLU A 39 9.374 -9.366 2.768 1.00 20.14 C ATOM 591 O GLU A 39 10.174 -9.831 1.954 1.00 71.02 O ATOM 592 CB GLU A 39 10.295 -7.043 2.398 1.00 73.23 C ATOM 593 CG GLU A 39 10.367 -5.577 2.842 1.00 75.13 C ATOM 594 CD GLU A 39 11.206 -5.364 4.098 1.00 12.34 C ATOM 595 OE1 GLU A 39 12.452 -5.426 4.004 1.00 43.22 O ATOM 596 OE2 GLU A 39 10.628 -5.142 5.183 1.00 12.35 O ATOM 0 H GLU A 39 11.338 -7.785 4.543 1.00 51.53 H new ATOM 0 HA GLU A 39 8.608 -7.583 3.641 1.00 23.40 H new ATOM 0 HB2 GLU A 39 11.308 -7.407 2.228 1.00 73.23 H new ATOM 0 HB3 GLU A 39 9.773 -7.094 1.442 1.00 73.23 H new ATOM 0 HG2 GLU A 39 10.783 -4.980 2.031 1.00 75.13 H new ATOM 0 HG3 GLU A 39 9.357 -5.210 3.023 1.00 75.13 H new ATOM 603 N GLU A 40 8.292 -10.026 3.168 1.00 53.04 N ATOM 604 CA GLU A 40 7.899 -11.306 2.572 1.00 21.34 C ATOM 605 C GLU A 40 6.467 -11.237 2.011 1.00 13.12 C ATOM 606 O GLU A 40 6.213 -11.639 0.872 1.00 32.13 O ATOM 607 CB GLU A 40 8.014 -12.440 3.602 1.00 23.32 C ATOM 608 CG GLU A 40 9.430 -12.632 4.149 1.00 0.53 C ATOM 609 CD GLU A 40 9.565 -13.855 5.044 1.00 3.14 C ATOM 610 OE1 GLU A 40 9.775 -14.964 4.511 1.00 52.35 O ATOM 611 OE2 GLU A 40 9.462 -13.717 6.282 1.00 74.34 O ATOM 0 H GLU A 40 7.667 -9.698 3.904 1.00 53.04 H new ATOM 0 HA GLU A 40 8.579 -11.515 1.746 1.00 21.34 H new ATOM 0 HB2 GLU A 40 7.338 -12.235 4.432 1.00 23.32 H new ATOM 0 HB3 GLU A 40 7.682 -13.371 3.143 1.00 23.32 H new ATOM 0 HG2 GLU A 40 10.126 -12.721 3.315 1.00 0.53 H new ATOM 0 HG3 GLU A 40 9.719 -11.744 4.712 1.00 0.53 H new ATOM 618 N ARG A 41 5.533 -10.727 2.816 1.00 11.53 N ATOM 619 CA ARG A 41 4.139 -10.547 2.382 1.00 50.32 C ATOM 620 C ARG A 41 3.770 -9.059 2.261 1.00 12.24 C ATOM 621 O ARG A 41 4.366 -8.201 2.909 1.00 52.01 O ATOM 622 CB ARG A 41 3.181 -11.232 3.367 1.00 33.21 C ATOM 623 CG ARG A 41 3.357 -12.745 3.453 1.00 51.52 C ATOM 624 CD ARG A 41 2.522 -13.344 4.576 1.00 40.53 C ATOM 625 NE ARG A 41 2.906 -12.817 5.885 1.00 2.10 N ATOM 626 CZ ARG A 41 2.443 -13.256 7.024 1.00 75.53 C ATOM 627 NH1 ARG A 41 1.598 -14.235 7.060 1.00 31.52 N ATOM 628 NH2 ARG A 41 2.839 -12.718 8.133 1.00 25.22 N ATOM 0 H ARG A 41 5.714 -10.430 3.775 1.00 11.53 H new ATOM 0 HA ARG A 41 4.043 -11.005 1.398 1.00 50.32 H new ATOM 0 HB2 ARG A 41 3.327 -10.803 4.358 1.00 33.21 H new ATOM 0 HB3 ARG A 41 2.155 -11.012 3.072 1.00 33.21 H new ATOM 0 HG2 ARG A 41 3.071 -13.199 2.504 1.00 51.52 H new ATOM 0 HG3 ARG A 41 4.409 -12.981 3.615 1.00 51.52 H new ATOM 0 HD2 ARG A 41 1.468 -13.134 4.396 1.00 40.53 H new ATOM 0 HD3 ARG A 41 2.636 -14.428 4.574 1.00 40.53 H new ATOM 0 HE ARG A 41 3.582 -12.054 5.910 1.00 2.10 H new ATOM 0 HH11 ARG A 41 1.287 -14.672 6.193 1.00 31.52 H new ATOM 0 HH12 ARG A 41 1.243 -14.570 7.956 1.00 31.52 H new ATOM 0 HH21 ARG A 41 3.512 -11.952 8.116 1.00 25.22 H new ATOM 0 HH22 ARG A 41 2.478 -13.060 9.023 1.00 25.22 H new ATOM 642 N HIS A 42 2.774 -8.760 1.428 1.00 72.10 N ATOM 643 CA HIS A 42 2.294 -7.382 1.254 1.00 72.14 C ATOM 644 C HIS A 42 1.207 -7.030 2.283 1.00 74.45 C ATOM 645 O HIS A 42 1.054 -5.873 2.670 1.00 41.15 O ATOM 646 CB HIS A 42 1.759 -7.186 -0.171 1.00 42.44 C ATOM 647 CG HIS A 42 2.812 -7.323 -1.231 1.00 42.13 C ATOM 648 ND1 HIS A 42 2.979 -8.457 -1.996 1.00 4.04 N ATOM 649 CD2 HIS A 42 3.745 -6.445 -1.665 1.00 20.20 C ATOM 650 CE1 HIS A 42 3.962 -8.270 -2.852 1.00 35.24 C ATOM 651 NE2 HIS A 42 4.446 -7.057 -2.677 1.00 64.42 N ATOM 0 H HIS A 42 2.281 -9.450 0.861 1.00 72.10 H new ATOM 0 HA HIS A 42 3.137 -6.710 1.417 1.00 72.14 H new ATOM 0 HB2 HIS A 42 0.970 -7.915 -0.358 1.00 42.44 H new ATOM 0 HB3 HIS A 42 1.305 -6.198 -0.247 1.00 42.44 H new ATOM 0 HD1 HIS A 42 2.426 -9.310 -1.912 1.00 4.04 H new ATOM 0 HD2 HIS A 42 3.909 -5.447 -1.286 1.00 20.20 H new ATOM 0 HE1 HIS A 42 4.313 -8.990 -3.576 1.00 35.24 H new ATOM 660 N GLN A 43 0.463 -8.045 2.720 1.00 11.21 N ATOM 661 CA GLN A 43 -0.625 -7.878 3.696 1.00 4.13 C ATOM 662 C GLN A 43 -0.174 -7.118 4.961 1.00 21.23 C ATOM 663 O GLN A 43 -0.904 -6.274 5.484 1.00 63.01 O ATOM 664 CB GLN A 43 -1.163 -9.263 4.089 1.00 3.30 C ATOM 665 CG GLN A 43 -2.284 -9.234 5.125 1.00 42.41 C ATOM 666 CD GLN A 43 -2.734 -10.623 5.553 1.00 62.35 C ATOM 667 OE1 GLN A 43 -1.959 -11.579 5.549 1.00 24.10 O ATOM 668 NE2 GLN A 43 -3.991 -10.749 5.916 1.00 54.11 N ATOM 0 H GLN A 43 0.594 -9.008 2.410 1.00 11.21 H new ATOM 0 HA GLN A 43 -1.405 -7.280 3.224 1.00 4.13 H new ATOM 0 HB2 GLN A 43 -1.526 -9.766 3.193 1.00 3.30 H new ATOM 0 HB3 GLN A 43 -0.340 -9.862 4.479 1.00 3.30 H new ATOM 0 HG2 GLN A 43 -1.947 -8.681 6.002 1.00 42.41 H new ATOM 0 HG3 GLN A 43 -3.136 -8.692 4.715 1.00 42.41 H new ATOM 0 HE21 GLN A 43 -4.608 -9.937 5.908 1.00 54.11 H new ATOM 0 HE22 GLN A 43 -4.349 -11.659 6.205 1.00 54.11 H new ATOM 677 N VAL A 44 1.035 -7.414 5.433 1.00 45.24 N ATOM 678 CA VAL A 44 1.537 -6.864 6.701 1.00 25.53 C ATOM 679 C VAL A 44 1.804 -5.349 6.636 1.00 71.01 C ATOM 680 O VAL A 44 1.722 -4.657 7.653 1.00 52.43 O ATOM 681 CB VAL A 44 2.829 -7.591 7.148 1.00 40.13 C ATOM 682 CG1 VAL A 44 2.561 -9.081 7.354 1.00 35.42 C ATOM 683 CG2 VAL A 44 3.955 -7.377 6.135 1.00 34.10 C ATOM 0 H VAL A 44 1.691 -8.034 4.958 1.00 45.24 H new ATOM 0 HA VAL A 44 0.746 -7.031 7.432 1.00 25.53 H new ATOM 0 HB VAL A 44 3.148 -7.165 8.099 1.00 40.13 H new ATOM 0 HG11 VAL A 44 3.480 -9.576 7.668 1.00 35.42 H new ATOM 0 HG12 VAL A 44 1.798 -9.211 8.122 1.00 35.42 H new ATOM 0 HG13 VAL A 44 2.213 -9.521 6.419 1.00 35.42 H new ATOM 0 HG21 VAL A 44 4.851 -7.898 6.472 1.00 34.10 H new ATOM 0 HG22 VAL A 44 3.651 -7.769 5.165 1.00 34.10 H new ATOM 0 HG23 VAL A 44 4.166 -6.311 6.046 1.00 34.10 H new ATOM 693 N ILE A 45 2.107 -4.836 5.440 1.00 11.20 N ATOM 694 CA ILE A 45 2.443 -3.414 5.260 1.00 33.42 C ATOM 695 C ILE A 45 1.324 -2.498 5.790 1.00 71.14 C ATOM 696 O ILE A 45 1.587 -1.421 6.336 1.00 44.24 O ATOM 697 CB ILE A 45 2.716 -3.088 3.767 1.00 44.12 C ATOM 698 CG1 ILE A 45 3.839 -3.989 3.220 1.00 4.20 C ATOM 699 CG2 ILE A 45 3.073 -1.610 3.586 1.00 24.14 C ATOM 700 CD1 ILE A 45 4.134 -3.774 1.748 1.00 31.34 C ATOM 0 H ILE A 45 2.127 -5.382 4.579 1.00 11.20 H new ATOM 0 HA ILE A 45 3.349 -3.227 5.836 1.00 33.42 H new ATOM 0 HB ILE A 45 1.805 -3.285 3.201 1.00 44.12 H new ATOM 0 HG12 ILE A 45 4.748 -3.809 3.793 1.00 4.20 H new ATOM 0 HG13 ILE A 45 3.564 -5.032 3.377 1.00 4.20 H new ATOM 0 HG21 ILE A 45 3.260 -1.407 2.531 1.00 24.14 H new ATOM 0 HG22 ILE A 45 2.246 -0.991 3.934 1.00 24.14 H new ATOM 0 HG23 ILE A 45 3.968 -1.378 4.164 1.00 24.14 H new ATOM 0 HD11 ILE A 45 4.935 -4.444 1.436 1.00 31.34 H new ATOM 0 HD12 ILE A 45 3.238 -3.983 1.163 1.00 31.34 H new ATOM 0 HD13 ILE A 45 4.441 -2.741 1.586 1.00 31.34 H new ATOM 712 N ARG A 46 0.080 -2.953 5.645 1.00 24.33 N ATOM 713 CA ARG A 46 -1.094 -2.211 6.116 1.00 13.35 C ATOM 714 C ARG A 46 -1.004 -1.874 7.616 1.00 65.00 C ATOM 715 O ARG A 46 -1.377 -0.780 8.043 1.00 2.11 O ATOM 716 CB ARG A 46 -2.360 -3.038 5.850 1.00 63.42 C ATOM 717 CG ARG A 46 -3.641 -2.416 6.398 1.00 61.11 C ATOM 718 CD ARG A 46 -4.832 -3.349 6.221 1.00 63.43 C ATOM 719 NE ARG A 46 -6.052 -2.807 6.821 1.00 4.41 N ATOM 720 CZ ARG A 46 -7.097 -3.521 7.143 1.00 61.51 C ATOM 721 NH1 ARG A 46 -7.115 -4.802 6.941 1.00 2.24 N ATOM 722 NH2 ARG A 46 -8.125 -2.958 7.688 1.00 22.22 N ATOM 0 H ARG A 46 -0.144 -3.843 5.200 1.00 24.33 H new ATOM 0 HA ARG A 46 -1.133 -1.269 5.569 1.00 13.35 H new ATOM 0 HB2 ARG A 46 -2.469 -3.179 4.775 1.00 63.42 H new ATOM 0 HB3 ARG A 46 -2.233 -4.027 6.290 1.00 63.42 H new ATOM 0 HG2 ARG A 46 -3.512 -2.185 7.455 1.00 61.11 H new ATOM 0 HG3 ARG A 46 -3.837 -1.473 5.888 1.00 61.11 H new ATOM 0 HD2 ARG A 46 -4.999 -3.525 5.158 1.00 63.43 H new ATOM 0 HD3 ARG A 46 -4.605 -4.315 6.672 1.00 63.43 H new ATOM 0 HE ARG A 46 -6.089 -1.803 7.000 1.00 4.41 H new ATOM 0 HH11 ARG A 46 -6.306 -5.264 6.526 1.00 2.24 H new ATOM 0 HH12 ARG A 46 -7.938 -5.347 7.197 1.00 2.24 H new ATOM 0 HH21 ARG A 46 -8.121 -1.954 7.867 1.00 22.22 H new ATOM 0 HH22 ARG A 46 -8.940 -3.518 7.939 1.00 22.22 H new ATOM 736 N ALA A 47 -0.502 -2.817 8.406 1.00 72.45 N ATOM 737 CA ALA A 47 -0.431 -2.654 9.860 1.00 3.10 C ATOM 738 C ALA A 47 0.564 -1.558 10.272 1.00 21.42 C ATOM 739 O ALA A 47 0.258 -0.719 11.125 1.00 31.45 O ATOM 740 CB ALA A 47 -0.058 -3.978 10.514 1.00 23.14 C ATOM 0 H ALA A 47 -0.136 -3.706 8.066 1.00 72.45 H new ATOM 0 HA ALA A 47 -1.417 -2.342 10.205 1.00 3.10 H new ATOM 0 HB1 ALA A 47 -0.007 -3.848 11.595 1.00 23.14 H new ATOM 0 HB2 ALA A 47 -0.812 -4.728 10.273 1.00 23.14 H new ATOM 0 HB3 ALA A 47 0.912 -4.307 10.142 1.00 23.14 H new ATOM 746 N TYR A 48 1.745 -1.563 9.654 1.00 43.40 N ATOM 747 CA TYR A 48 2.819 -0.625 10.013 1.00 40.11 C ATOM 748 C TYR A 48 2.389 0.845 9.858 1.00 34.05 C ATOM 749 O TYR A 48 2.482 1.627 10.807 1.00 45.12 O ATOM 750 CB TYR A 48 4.068 -0.892 9.163 1.00 53.21 C ATOM 751 CG TYR A 48 4.669 -2.271 9.371 1.00 2.44 C ATOM 752 CD1 TYR A 48 5.321 -2.594 10.557 1.00 40.34 C ATOM 753 CD2 TYR A 48 4.586 -3.250 8.384 1.00 64.20 C ATOM 754 CE1 TYR A 48 5.870 -3.846 10.755 1.00 31.41 C ATOM 755 CE2 TYR A 48 5.134 -4.505 8.575 1.00 41.20 C ATOM 756 CZ TYR A 48 5.774 -4.797 9.761 1.00 32.44 C ATOM 757 OH TYR A 48 6.320 -6.047 9.954 1.00 14.42 O ATOM 0 H TYR A 48 1.987 -2.206 8.900 1.00 43.40 H new ATOM 0 HA TYR A 48 3.048 -0.792 11.065 1.00 40.11 H new ATOM 0 HB2 TYR A 48 3.812 -0.773 8.110 1.00 53.21 H new ATOM 0 HB3 TYR A 48 4.821 -0.139 9.395 1.00 53.21 H new ATOM 0 HD1 TYR A 48 5.399 -1.852 11.338 1.00 40.34 H new ATOM 0 HD2 TYR A 48 4.085 -3.025 7.454 1.00 64.20 H new ATOM 0 HE1 TYR A 48 6.371 -4.079 11.683 1.00 31.41 H new ATOM 0 HE2 TYR A 48 5.061 -5.253 7.799 1.00 41.20 H new ATOM 0 HH TYR A 48 6.165 -6.598 9.159 1.00 14.42 H new ATOM 767 N VAL A 49 1.901 1.215 8.670 1.00 25.22 N ATOM 768 CA VAL A 49 1.548 2.614 8.376 1.00 41.21 C ATOM 769 C VAL A 49 0.567 3.206 9.409 1.00 73.00 C ATOM 770 O VAL A 49 0.728 4.350 9.841 1.00 53.35 O ATOM 771 CB VAL A 49 0.957 2.767 6.949 1.00 32.24 C ATOM 772 CG1 VAL A 49 1.995 2.388 5.894 1.00 23.42 C ATOM 773 CG2 VAL A 49 -0.317 1.935 6.783 1.00 61.15 C ATOM 0 H VAL A 49 1.741 0.570 7.896 1.00 25.22 H new ATOM 0 HA VAL A 49 2.480 3.175 8.436 1.00 41.21 H new ATOM 0 HB VAL A 49 0.689 3.814 6.807 1.00 32.24 H new ATOM 0 HG11 VAL A 49 1.562 2.502 4.900 1.00 23.42 H new ATOM 0 HG12 VAL A 49 2.864 3.039 5.988 1.00 23.42 H new ATOM 0 HG13 VAL A 49 2.301 1.352 6.040 1.00 23.42 H new ATOM 0 HG21 VAL A 49 -0.707 2.064 5.773 1.00 61.15 H new ATOM 0 HG22 VAL A 49 -0.089 0.883 6.953 1.00 61.15 H new ATOM 0 HG23 VAL A 49 -1.064 2.265 7.505 1.00 61.15 H new ATOM 783 N MET A 50 -0.424 2.416 9.826 1.00 3.34 N ATOM 784 CA MET A 50 -1.425 2.874 10.803 1.00 1.35 C ATOM 785 C MET A 50 -0.806 3.085 12.197 1.00 1.03 C ATOM 786 O MET A 50 -1.207 3.985 12.940 1.00 31.11 O ATOM 787 CB MET A 50 -2.584 1.869 10.888 1.00 13.25 C ATOM 788 CG MET A 50 -3.344 1.701 9.577 1.00 30.33 C ATOM 789 SD MET A 50 -4.713 0.534 9.705 1.00 42.13 S ATOM 790 CE MET A 50 -3.843 -0.966 10.157 1.00 74.31 C ATOM 0 H MET A 50 -0.559 1.457 9.506 1.00 3.34 H new ATOM 0 HA MET A 50 -1.805 3.836 10.458 1.00 1.35 H new ATOM 0 HB2 MET A 50 -2.192 0.900 11.198 1.00 13.25 H new ATOM 0 HB3 MET A 50 -3.279 2.194 11.662 1.00 13.25 H new ATOM 0 HG2 MET A 50 -3.728 2.670 9.258 1.00 30.33 H new ATOM 0 HG3 MET A 50 -2.655 1.361 8.804 1.00 30.33 H new ATOM 0 HE1 MET A 50 -4.220 -1.798 9.563 1.00 74.31 H new ATOM 0 HE2 MET A 50 -2.777 -0.839 9.969 1.00 74.31 H new ATOM 0 HE3 MET A 50 -4.002 -1.174 11.215 1.00 74.31 H new ATOM 800 N SER A 51 0.173 2.256 12.547 1.00 62.20 N ATOM 801 CA SER A 51 0.843 2.354 13.855 1.00 62.33 C ATOM 802 C SER A 51 2.070 3.281 13.806 1.00 40.14 C ATOM 803 O SER A 51 2.743 3.485 14.816 1.00 74.20 O ATOM 804 CB SER A 51 1.260 0.960 14.350 1.00 15.32 C ATOM 805 OG SER A 51 0.129 0.112 14.527 1.00 75.01 O ATOM 0 H SER A 51 0.525 1.508 11.950 1.00 62.20 H new ATOM 0 HA SER A 51 0.126 2.787 14.553 1.00 62.33 H new ATOM 0 HB2 SER A 51 1.947 0.508 13.634 1.00 15.32 H new ATOM 0 HB3 SER A 51 1.798 1.053 15.293 1.00 15.32 H new ATOM 0 HG SER A 51 0.426 -0.768 14.841 1.00 75.01 H new ATOM 811 N ASN A 52 2.375 3.828 12.627 1.00 71.30 N ATOM 812 CA ASN A 52 3.507 4.758 12.473 1.00 32.10 C ATOM 813 C ASN A 52 3.039 6.214 12.274 1.00 53.51 C ATOM 814 O ASN A 52 3.351 7.093 13.078 1.00 31.34 O ATOM 815 CB ASN A 52 4.402 4.340 11.292 1.00 75.21 C ATOM 816 CG ASN A 52 5.261 3.116 11.583 1.00 71.11 C ATOM 817 OD1 ASN A 52 6.392 3.014 11.119 1.00 24.03 O ATOM 818 ND2 ASN A 52 4.731 2.167 12.323 1.00 24.44 N ATOM 0 H ASN A 52 1.859 3.647 11.766 1.00 71.30 H new ATOM 0 HA ASN A 52 4.081 4.710 13.399 1.00 32.10 H new ATOM 0 HB2 ASN A 52 3.774 4.135 10.425 1.00 75.21 H new ATOM 0 HB3 ASN A 52 5.051 5.174 11.025 1.00 75.21 H new ATOM 0 HD21 ASN A 52 5.263 1.320 12.524 1.00 24.44 H new ATOM 0 HD22 ASN A 52 3.788 2.278 12.696 1.00 24.44 H new ATOM 825 N TYR A 53 2.283 6.459 11.205 1.00 73.42 N ATOM 826 CA TYR A 53 1.908 7.830 10.817 1.00 14.52 C ATOM 827 C TYR A 53 0.638 8.323 11.531 1.00 23.44 C ATOM 828 O TYR A 53 -0.004 7.586 12.279 1.00 43.34 O ATOM 829 CB TYR A 53 1.699 7.906 9.298 1.00 23.10 C ATOM 830 CG TYR A 53 2.910 7.489 8.482 1.00 33.21 C ATOM 831 CD1 TYR A 53 3.945 8.383 8.240 1.00 71.22 C ATOM 832 CD2 TYR A 53 3.012 6.206 7.953 1.00 51.10 C ATOM 833 CE1 TYR A 53 5.048 8.010 7.496 1.00 12.12 C ATOM 834 CE2 TYR A 53 4.112 5.827 7.209 1.00 73.14 C ATOM 835 CZ TYR A 53 5.126 6.732 6.982 1.00 52.13 C ATOM 836 OH TYR A 53 6.223 6.362 6.236 1.00 4.33 O ATOM 0 H TYR A 53 1.916 5.733 10.590 1.00 73.42 H new ATOM 0 HA TYR A 53 2.728 8.480 11.121 1.00 14.52 H new ATOM 0 HB2 TYR A 53 0.856 7.271 9.026 1.00 23.10 H new ATOM 0 HB3 TYR A 53 1.429 8.927 9.030 1.00 23.10 H new ATOM 0 HD1 TYR A 53 3.887 9.385 8.639 1.00 71.22 H new ATOM 0 HD2 TYR A 53 2.218 5.495 8.127 1.00 51.10 H new ATOM 0 HE1 TYR A 53 5.846 8.716 7.318 1.00 12.12 H new ATOM 0 HE2 TYR A 53 4.177 4.827 6.807 1.00 73.14 H new ATOM 0 HH TYR A 53 6.124 5.430 5.949 1.00 4.33 H new ATOM 846 N THR A 54 0.290 9.588 11.290 1.00 21.54 N ATOM 847 CA THR A 54 -0.933 10.196 11.847 1.00 35.02 C ATOM 848 C THR A 54 -1.771 10.886 10.758 1.00 24.02 C ATOM 849 O THR A 54 -2.999 10.939 10.847 1.00 73.05 O ATOM 850 CB THR A 54 -0.603 11.246 12.933 1.00 3.41 C ATOM 851 OG1 THR A 54 0.226 12.283 12.378 1.00 43.11 O ATOM 852 CG2 THR A 54 0.106 10.609 14.121 1.00 52.51 C ATOM 0 H THR A 54 0.839 10.221 10.708 1.00 21.54 H new ATOM 0 HA THR A 54 -1.503 9.377 12.286 1.00 35.02 H new ATOM 0 HB THR A 54 -1.543 11.673 13.283 1.00 3.41 H new ATOM 0 HG1 THR A 54 0.429 12.945 13.071 1.00 43.11 H new ATOM 0 HG21 THR A 54 0.324 11.373 14.867 1.00 52.51 H new ATOM 0 HG22 THR A 54 -0.535 9.845 14.561 1.00 52.51 H new ATOM 0 HG23 THR A 54 1.037 10.152 13.787 1.00 52.51 H new ATOM 860 N ASP A 55 -1.094 11.435 9.746 1.00 33.12 N ATOM 861 CA ASP A 55 -1.760 12.096 8.613 1.00 45.03 C ATOM 862 C ASP A 55 -2.709 11.138 7.867 1.00 24.11 C ATOM 863 O ASP A 55 -2.558 9.917 7.930 1.00 50.22 O ATOM 864 CB ASP A 55 -0.701 12.654 7.646 1.00 64.32 C ATOM 865 CG ASP A 55 -1.298 13.149 6.338 1.00 63.12 C ATOM 866 OD1 ASP A 55 -1.871 14.258 6.316 1.00 4.40 O ATOM 867 OD2 ASP A 55 -1.211 12.423 5.325 1.00 1.33 O ATOM 0 H ASP A 55 -0.076 11.436 9.686 1.00 33.12 H new ATOM 0 HA ASP A 55 -2.365 12.912 9.007 1.00 45.03 H new ATOM 0 HB2 ASP A 55 -0.170 13.473 8.130 1.00 64.32 H new ATOM 0 HB3 ASP A 55 0.035 11.878 7.433 1.00 64.32 H new ATOM 872 N HIS A 56 -3.686 11.707 7.156 1.00 13.23 N ATOM 873 CA HIS A 56 -4.634 10.904 6.378 1.00 62.31 C ATOM 874 C HIS A 56 -3.931 10.131 5.253 1.00 5.12 C ATOM 875 O HIS A 56 -3.841 8.914 5.297 1.00 74.41 O ATOM 876 CB HIS A 56 -5.744 11.778 5.776 1.00 0.35 C ATOM 877 CG HIS A 56 -6.686 12.356 6.787 1.00 21.43 C ATOM 878 ND1 HIS A 56 -7.803 11.688 7.239 1.00 14.13 N ATOM 879 CD2 HIS A 56 -6.687 13.550 7.422 1.00 30.25 C ATOM 880 CE1 HIS A 56 -8.448 12.442 8.103 1.00 62.22 C ATOM 881 NE2 HIS A 56 -7.793 13.576 8.234 1.00 52.33 N ATOM 0 H HIS A 56 -3.841 12.714 7.103 1.00 13.23 H new ATOM 0 HA HIS A 56 -5.079 10.189 7.070 1.00 62.31 H new ATOM 0 HB2 HIS A 56 -5.286 12.593 5.215 1.00 0.35 H new ATOM 0 HB3 HIS A 56 -6.314 11.182 5.064 1.00 0.35 H new ATOM 0 HD2 HIS A 56 -5.955 14.336 7.311 1.00 30.25 H new ATOM 0 HE1 HIS A 56 -9.360 12.176 8.617 1.00 62.22 H new ATOM 0 HE2 HIS A 56 -8.064 14.350 8.841 1.00 52.33 H new ATOM 890 N GLN A 57 -3.410 10.847 4.261 1.00 32.20 N ATOM 891 CA GLN A 57 -2.859 10.219 3.052 1.00 54.03 C ATOM 892 C GLN A 57 -1.646 9.316 3.333 1.00 31.11 C ATOM 893 O GLN A 57 -1.446 8.316 2.644 1.00 13.51 O ATOM 894 CB GLN A 57 -2.499 11.293 2.020 1.00 70.41 C ATOM 895 CG GLN A 57 -3.712 12.051 1.491 1.00 60.42 C ATOM 896 CD GLN A 57 -4.705 11.141 0.783 1.00 12.01 C ATOM 897 OE1 GLN A 57 -4.630 10.936 -0.422 1.00 2.11 O ATOM 898 NE2 GLN A 57 -5.654 10.598 1.525 1.00 62.33 N ATOM 0 H GLN A 57 -3.355 11.866 4.266 1.00 32.20 H new ATOM 0 HA GLN A 57 -3.638 9.569 2.653 1.00 54.03 H new ATOM 0 HB2 GLN A 57 -1.804 12.002 2.471 1.00 70.41 H new ATOM 0 HB3 GLN A 57 -1.979 10.824 1.184 1.00 70.41 H new ATOM 0 HG2 GLN A 57 -4.212 12.554 2.319 1.00 60.42 H new ATOM 0 HG3 GLN A 57 -3.379 12.827 0.801 1.00 60.42 H new ATOM 0 HE21 GLN A 57 -5.690 10.788 2.527 1.00 62.33 H new ATOM 0 HE22 GLN A 57 -6.351 9.989 1.096 1.00 62.33 H new ATOM 907 N LEU A 58 -0.844 9.656 4.340 1.00 53.32 N ATOM 908 CA LEU A 58 0.319 8.826 4.703 1.00 30.14 C ATOM 909 C LEU A 58 -0.102 7.422 5.190 1.00 72.45 C ATOM 910 O LEU A 58 0.708 6.494 5.216 1.00 14.32 O ATOM 911 CB LEU A 58 1.172 9.524 5.774 1.00 32.25 C ATOM 912 CG LEU A 58 1.870 10.820 5.321 1.00 13.51 C ATOM 913 CD1 LEU A 58 2.717 11.404 6.452 1.00 73.12 C ATOM 914 CD2 LEU A 58 2.727 10.570 4.081 1.00 45.41 C ATOM 0 H LEU A 58 -0.969 10.488 4.917 1.00 53.32 H new ATOM 0 HA LEU A 58 0.916 8.698 3.800 1.00 30.14 H new ATOM 0 HB2 LEU A 58 0.535 9.754 6.628 1.00 32.25 H new ATOM 0 HB3 LEU A 58 1.932 8.824 6.122 1.00 32.25 H new ATOM 0 HG LEU A 58 1.099 11.546 5.062 1.00 13.51 H new ATOM 0 HD11 LEU A 58 3.201 12.319 6.109 1.00 73.12 H new ATOM 0 HD12 LEU A 58 2.078 11.629 7.306 1.00 73.12 H new ATOM 0 HD13 LEU A 58 3.477 10.681 6.748 1.00 73.12 H new ATOM 0 HD21 LEU A 58 3.210 11.499 3.779 1.00 45.41 H new ATOM 0 HD22 LEU A 58 3.487 9.823 4.309 1.00 45.41 H new ATOM 0 HD23 LEU A 58 2.096 10.209 3.269 1.00 45.41 H new ATOM 926 N ILE A 59 -1.370 7.280 5.580 1.00 41.45 N ATOM 927 CA ILE A 59 -1.925 5.984 5.999 1.00 64.50 C ATOM 928 C ILE A 59 -2.993 5.495 5.005 1.00 25.54 C ATOM 929 O ILE A 59 -2.892 4.398 4.451 1.00 1.21 O ATOM 930 CB ILE A 59 -2.557 6.077 7.413 1.00 2.13 C ATOM 931 CG1 ILE A 59 -1.495 6.481 8.451 1.00 52.20 C ATOM 932 CG2 ILE A 59 -3.220 4.755 7.798 1.00 61.50 C ATOM 933 CD1 ILE A 59 -2.031 6.609 9.863 1.00 12.33 C ATOM 0 H ILE A 59 -2.038 8.050 5.616 1.00 41.45 H new ATOM 0 HA ILE A 59 -1.099 5.273 6.021 1.00 64.50 H new ATOM 0 HB ILE A 59 -3.328 6.847 7.395 1.00 2.13 H new ATOM 0 HG12 ILE A 59 -0.694 5.742 8.443 1.00 52.20 H new ATOM 0 HG13 ILE A 59 -1.054 7.432 8.153 1.00 52.20 H new ATOM 0 HG21 ILE A 59 -3.656 4.843 8.793 1.00 61.50 H new ATOM 0 HG22 ILE A 59 -4.003 4.517 7.078 1.00 61.50 H new ATOM 0 HG23 ILE A 59 -2.474 3.960 7.798 1.00 61.50 H new ATOM 0 HD11 ILE A 59 -1.222 6.896 10.535 1.00 12.33 H new ATOM 0 HD12 ILE A 59 -2.811 7.370 9.888 1.00 12.33 H new ATOM 0 HD13 ILE A 59 -2.446 5.653 10.183 1.00 12.33 H new ATOM 945 N GLU A 60 -4.010 6.331 4.798 1.00 43.53 N ATOM 946 CA GLU A 60 -5.129 6.045 3.887 1.00 43.14 C ATOM 947 C GLU A 60 -4.658 5.481 2.533 1.00 43.05 C ATOM 948 O GLU A 60 -5.193 4.487 2.062 1.00 73.24 O ATOM 949 CB GLU A 60 -5.949 7.328 3.658 1.00 22.24 C ATOM 950 CG GLU A 60 -7.226 7.130 2.844 1.00 61.50 C ATOM 951 CD GLU A 60 -7.971 8.436 2.601 1.00 53.43 C ATOM 952 OE1 GLU A 60 -8.521 9.010 3.568 1.00 4.53 O ATOM 953 OE2 GLU A 60 -8.013 8.902 1.443 1.00 33.44 O ATOM 0 H GLU A 60 -4.085 7.237 5.261 1.00 43.53 H new ATOM 0 HA GLU A 60 -5.746 5.280 4.359 1.00 43.14 H new ATOM 0 HB2 GLU A 60 -6.213 7.752 4.627 1.00 22.24 H new ATOM 0 HB3 GLU A 60 -5.320 8.060 3.151 1.00 22.24 H new ATOM 0 HG2 GLU A 60 -6.975 6.675 1.886 1.00 61.50 H new ATOM 0 HG3 GLU A 60 -7.882 6.433 3.366 1.00 61.50 H new ATOM 960 N THR A 61 -3.658 6.118 1.916 1.00 63.50 N ATOM 961 CA THR A 61 -3.128 5.657 0.619 1.00 71.31 C ATOM 962 C THR A 61 -2.754 4.168 0.655 1.00 22.42 C ATOM 963 O THR A 61 -3.283 3.366 -0.114 1.00 61.32 O ATOM 964 CB THR A 61 -1.882 6.468 0.183 1.00 23.20 C ATOM 965 OG1 THR A 61 -2.220 7.856 0.037 1.00 61.43 O ATOM 966 CG2 THR A 61 -1.309 5.942 -1.132 1.00 13.12 C ATOM 0 H THR A 61 -3.198 6.950 2.287 1.00 63.50 H new ATOM 0 HA THR A 61 -3.929 5.812 -0.104 1.00 71.31 H new ATOM 0 HB THR A 61 -1.125 6.355 0.959 1.00 23.20 H new ATOM 0 HG1 THR A 61 -2.039 8.327 0.877 1.00 61.43 H new ATOM 0 HG21 THR A 61 -0.436 6.532 -1.410 1.00 13.12 H new ATOM 0 HG22 THR A 61 -1.018 4.899 -1.011 1.00 13.12 H new ATOM 0 HG23 THR A 61 -2.064 6.019 -1.915 1.00 13.12 H new ATOM 974 N THR A 62 -1.850 3.809 1.563 1.00 63.11 N ATOM 975 CA THR A 62 -1.379 2.423 1.694 1.00 32.20 C ATOM 976 C THR A 62 -2.516 1.470 2.101 1.00 24.02 C ATOM 977 O THR A 62 -2.758 0.459 1.441 1.00 54.21 O ATOM 978 CB THR A 62 -0.236 2.315 2.736 1.00 3.33 C ATOM 979 OG1 THR A 62 0.822 3.227 2.407 1.00 0.23 O ATOM 980 CG2 THR A 62 0.323 0.895 2.796 1.00 74.13 C ATOM 0 H THR A 62 -1.424 4.459 2.224 1.00 63.11 H new ATOM 0 HA THR A 62 -1.006 2.129 0.713 1.00 32.20 H new ATOM 0 HB THR A 62 -0.650 2.569 3.712 1.00 3.33 H new ATOM 0 HG1 THR A 62 1.677 2.862 2.718 1.00 0.23 H new ATOM 0 HG21 THR A 62 1.123 0.850 3.535 1.00 74.13 H new ATOM 0 HG22 THR A 62 -0.471 0.203 3.078 1.00 74.13 H new ATOM 0 HG23 THR A 62 0.716 0.617 1.818 1.00 74.13 H new ATOM 988 N ASN A 63 -3.217 1.808 3.183 1.00 11.20 N ATOM 989 CA ASN A 63 -4.314 0.977 3.705 1.00 50.01 C ATOM 990 C ASN A 63 -5.396 0.725 2.636 1.00 74.12 C ATOM 991 O ASN A 63 -5.831 -0.411 2.424 1.00 2.44 O ATOM 992 CB ASN A 63 -4.924 1.657 4.939 1.00 24.43 C ATOM 993 CG ASN A 63 -6.065 0.862 5.557 1.00 31.34 C ATOM 994 OD1 ASN A 63 -5.849 -0.012 6.391 1.00 32.45 O ATOM 995 ND2 ASN A 63 -7.286 1.168 5.170 1.00 64.22 N ATOM 0 H ASN A 63 -3.047 2.657 3.722 1.00 11.20 H new ATOM 0 HA ASN A 63 -3.907 0.006 3.986 1.00 50.01 H new ATOM 0 HB2 ASN A 63 -4.145 1.804 5.687 1.00 24.43 H new ATOM 0 HB3 ASN A 63 -5.288 2.645 4.659 1.00 24.43 H new ATOM 0 HD21 ASN A 63 -8.085 0.673 5.566 1.00 64.22 H new ATOM 0 HD22 ASN A 63 -7.432 1.900 4.475 1.00 64.22 H new ATOM 1002 N ARG A 64 -5.814 1.792 1.961 1.00 54.51 N ATOM 1003 CA ARG A 64 -6.833 1.710 0.909 1.00 31.14 C ATOM 1004 C ARG A 64 -6.308 0.936 -0.312 1.00 54.54 C ATOM 1005 O ARG A 64 -6.977 0.039 -0.823 1.00 33.13 O ATOM 1006 CB ARG A 64 -7.271 3.125 0.500 1.00 24.41 C ATOM 1007 CG ARG A 64 -8.422 3.171 -0.501 1.00 33.45 C ATOM 1008 CD ARG A 64 -8.767 4.607 -0.885 1.00 74.12 C ATOM 1009 NE ARG A 64 -9.851 4.684 -1.864 1.00 71.15 N ATOM 1010 CZ ARG A 64 -9.828 5.445 -2.927 1.00 71.30 C ATOM 1011 NH1 ARG A 64 -8.761 6.112 -3.239 1.00 41.14 N ATOM 1012 NH2 ARG A 64 -10.865 5.509 -3.696 1.00 34.44 N ATOM 0 H ARG A 64 -5.461 2.735 2.124 1.00 54.51 H new ATOM 0 HA ARG A 64 -7.693 1.168 1.302 1.00 31.14 H new ATOM 0 HB2 ARG A 64 -7.564 3.673 1.395 1.00 24.41 H new ATOM 0 HB3 ARG A 64 -6.415 3.647 0.073 1.00 24.41 H new ATOM 0 HG2 ARG A 64 -8.152 2.608 -1.395 1.00 33.45 H new ATOM 0 HG3 ARG A 64 -9.299 2.686 -0.072 1.00 33.45 H new ATOM 0 HD2 ARG A 64 -9.051 5.160 0.010 1.00 74.12 H new ATOM 0 HD3 ARG A 64 -7.880 5.093 -1.292 1.00 74.12 H new ATOM 0 HE ARG A 64 -10.678 4.107 -1.707 1.00 71.15 H new ATOM 0 HH11 ARG A 64 -7.929 6.046 -2.653 1.00 41.14 H new ATOM 0 HH12 ARG A 64 -8.754 6.703 -4.070 1.00 41.14 H new ATOM 0 HH21 ARG A 64 -11.699 4.966 -3.473 1.00 34.44 H new ATOM 0 HH22 ARG A 64 -10.849 6.102 -4.526 1.00 34.44 H new ATOM 1026 N ALA A 65 -5.099 1.279 -0.764 1.00 12.21 N ATOM 1027 CA ALA A 65 -4.486 0.623 -1.928 1.00 44.43 C ATOM 1028 C ALA A 65 -4.396 -0.899 -1.742 1.00 52.30 C ATOM 1029 O ALA A 65 -4.793 -1.665 -2.621 1.00 44.40 O ATOM 1030 CB ALA A 65 -3.104 1.203 -2.202 1.00 50.02 C ATOM 0 H ALA A 65 -4.523 2.008 -0.343 1.00 12.21 H new ATOM 0 HA ALA A 65 -5.129 0.815 -2.787 1.00 44.43 H new ATOM 0 HB1 ALA A 65 -2.666 0.705 -3.067 1.00 50.02 H new ATOM 0 HB2 ALA A 65 -3.191 2.271 -2.403 1.00 50.02 H new ATOM 0 HB3 ALA A 65 -2.466 1.048 -1.332 1.00 50.02 H new ATOM 1036 N ILE A 66 -3.882 -1.333 -0.591 1.00 42.31 N ATOM 1037 CA ILE A 66 -3.790 -2.766 -0.279 1.00 32.10 C ATOM 1038 C ILE A 66 -5.179 -3.427 -0.290 1.00 75.45 C ATOM 1039 O ILE A 66 -5.329 -4.579 -0.702 1.00 30.54 O ATOM 1040 CB ILE A 66 -3.100 -3.009 1.091 1.00 65.53 C ATOM 1041 CG1 ILE A 66 -1.664 -2.449 1.066 1.00 3.13 C ATOM 1042 CG2 ILE A 66 -3.095 -4.498 1.448 1.00 51.03 C ATOM 1043 CD1 ILE A 66 -0.892 -2.666 2.352 1.00 5.25 C ATOM 0 H ILE A 66 -3.523 -0.719 0.140 1.00 42.31 H new ATOM 0 HA ILE A 66 -3.178 -3.223 -1.057 1.00 32.10 H new ATOM 0 HB ILE A 66 -3.667 -2.485 1.860 1.00 65.53 H new ATOM 0 HG12 ILE A 66 -1.119 -2.914 0.245 1.00 3.13 H new ATOM 0 HG13 ILE A 66 -1.706 -1.380 0.856 1.00 3.13 H new ATOM 0 HG21 ILE A 66 -2.606 -4.639 2.412 1.00 51.03 H new ATOM 0 HG22 ILE A 66 -4.121 -4.862 1.505 1.00 51.03 H new ATOM 0 HG23 ILE A 66 -2.555 -5.054 0.682 1.00 51.03 H new ATOM 0 HD11 ILE A 66 0.108 -2.243 2.252 1.00 5.25 H new ATOM 0 HD12 ILE A 66 -1.412 -2.177 3.176 1.00 5.25 H new ATOM 0 HD13 ILE A 66 -0.816 -3.734 2.555 1.00 5.25 H new ATOM 1055 N SER A 67 -6.197 -2.687 0.150 1.00 2.31 N ATOM 1056 CA SER A 67 -7.586 -3.165 0.075 1.00 61.14 C ATOM 1057 C SER A 67 -8.022 -3.357 -1.387 1.00 45.03 C ATOM 1058 O SER A 67 -8.636 -4.368 -1.740 1.00 32.25 O ATOM 1059 CB SER A 67 -8.540 -2.189 0.775 1.00 23.52 C ATOM 1060 OG SER A 67 -9.877 -2.667 0.742 1.00 73.31 O ATOM 0 H SER A 67 -6.092 -1.759 0.560 1.00 2.31 H new ATOM 0 HA SER A 67 -7.631 -4.127 0.585 1.00 61.14 H new ATOM 0 HB2 SER A 67 -8.226 -2.048 1.809 1.00 23.52 H new ATOM 0 HB3 SER A 67 -8.487 -1.214 0.291 1.00 23.52 H new ATOM 0 HG SER A 67 -10.464 -2.027 1.196 1.00 73.31 H new ATOM 1066 N LEU A 68 -7.687 -2.385 -2.239 1.00 73.22 N ATOM 1067 CA LEU A 68 -7.957 -2.487 -3.680 1.00 23.25 C ATOM 1068 C LEU A 68 -7.187 -3.659 -4.310 1.00 65.23 C ATOM 1069 O LEU A 68 -7.678 -4.301 -5.234 1.00 52.13 O ATOM 1070 CB LEU A 68 -7.614 -1.169 -4.401 1.00 14.10 C ATOM 1071 CG LEU A 68 -8.723 -0.095 -4.393 1.00 75.02 C ATOM 1072 CD1 LEU A 68 -9.961 -0.589 -5.142 1.00 42.05 C ATOM 1073 CD2 LEU A 68 -9.089 0.314 -2.965 1.00 51.33 C ATOM 0 H LEU A 68 -7.229 -1.518 -1.959 1.00 73.22 H new ATOM 0 HA LEU A 68 -9.023 -2.678 -3.801 1.00 23.25 H new ATOM 0 HB2 LEU A 68 -6.721 -0.746 -3.941 1.00 14.10 H new ATOM 0 HB3 LEU A 68 -7.362 -1.397 -5.437 1.00 14.10 H new ATOM 0 HG LEU A 68 -8.336 0.785 -4.906 1.00 75.02 H new ATOM 0 HD11 LEU A 68 -10.730 0.184 -5.124 1.00 42.05 H new ATOM 0 HD12 LEU A 68 -9.696 -0.813 -6.175 1.00 42.05 H new ATOM 0 HD13 LEU A 68 -10.341 -1.490 -4.662 1.00 42.05 H new ATOM 0 HD21 LEU A 68 -9.872 1.071 -2.993 1.00 51.33 H new ATOM 0 HD22 LEU A 68 -9.447 -0.558 -2.417 1.00 51.33 H new ATOM 0 HD23 LEU A 68 -8.209 0.720 -2.466 1.00 51.33 H new ATOM 1085 N TYR A 69 -5.982 -3.935 -3.806 1.00 75.51 N ATOM 1086 CA TYR A 69 -5.225 -5.118 -4.236 1.00 32.41 C ATOM 1087 C TYR A 69 -5.969 -6.411 -3.866 1.00 1.11 C ATOM 1088 O TYR A 69 -6.077 -7.326 -4.680 1.00 41.22 O ATOM 1089 CB TYR A 69 -3.810 -5.125 -3.628 1.00 51.22 C ATOM 1090 CG TYR A 69 -2.814 -4.241 -4.364 1.00 74.02 C ATOM 1091 CD1 TYR A 69 -2.334 -4.608 -5.619 1.00 10.20 C ATOM 1092 CD2 TYR A 69 -2.342 -3.056 -3.806 1.00 72.24 C ATOM 1093 CE1 TYR A 69 -1.419 -3.824 -6.294 1.00 33.04 C ATOM 1094 CE2 TYR A 69 -1.427 -2.264 -4.478 1.00 54.03 C ATOM 1095 CZ TYR A 69 -0.968 -2.653 -5.723 1.00 24.34 C ATOM 1096 OH TYR A 69 -0.051 -1.872 -6.397 1.00 43.24 O ATOM 0 H TYR A 69 -5.511 -3.362 -3.106 1.00 75.51 H new ATOM 0 HA TYR A 69 -5.131 -5.071 -5.321 1.00 32.41 H new ATOM 0 HB2 TYR A 69 -3.871 -4.799 -2.590 1.00 51.22 H new ATOM 0 HB3 TYR A 69 -3.435 -6.148 -3.620 1.00 51.22 H new ATOM 0 HD1 TYR A 69 -2.684 -5.523 -6.073 1.00 10.20 H new ATOM 0 HD2 TYR A 69 -2.696 -2.750 -2.833 1.00 72.24 H new ATOM 0 HE1 TYR A 69 -1.058 -4.127 -7.266 1.00 33.04 H new ATOM 0 HE2 TYR A 69 -1.073 -1.346 -4.032 1.00 54.03 H new ATOM 0 HH TYR A 69 -0.358 -0.941 -6.406 1.00 43.24 H new ATOM 1106 N MET A 70 -6.490 -6.473 -2.638 1.00 53.34 N ATOM 1107 CA MET A 70 -7.288 -7.624 -2.184 1.00 60.32 C ATOM 1108 C MET A 70 -8.504 -7.860 -3.102 1.00 55.02 C ATOM 1109 O MET A 70 -8.777 -8.989 -3.523 1.00 74.21 O ATOM 1110 CB MET A 70 -7.769 -7.405 -0.740 1.00 64.54 C ATOM 1111 CG MET A 70 -6.643 -7.299 0.281 1.00 1.12 C ATOM 1112 SD MET A 70 -7.250 -6.931 1.943 1.00 54.41 S ATOM 1113 CE MET A 70 -5.723 -6.950 2.880 1.00 21.44 C ATOM 0 H MET A 70 -6.376 -5.741 -1.937 1.00 53.34 H new ATOM 0 HA MET A 70 -6.648 -8.506 -2.224 1.00 60.32 H new ATOM 0 HB2 MET A 70 -8.367 -6.494 -0.702 1.00 64.54 H new ATOM 0 HB3 MET A 70 -8.425 -8.229 -0.458 1.00 64.54 H new ATOM 0 HG2 MET A 70 -6.085 -8.235 0.300 1.00 1.12 H new ATOM 0 HG3 MET A 70 -5.947 -6.519 -0.029 1.00 1.12 H new ATOM 0 HE1 MET A 70 -5.869 -7.512 3.802 1.00 21.44 H new ATOM 0 HE2 MET A 70 -4.939 -7.422 2.288 1.00 21.44 H new ATOM 0 HE3 MET A 70 -5.431 -5.928 3.120 1.00 21.44 H new ATOM 1123 N ALA A 71 -9.227 -6.783 -3.408 1.00 51.41 N ATOM 1124 CA ALA A 71 -10.402 -6.854 -4.284 1.00 61.41 C ATOM 1125 C ALA A 71 -10.024 -7.226 -5.729 1.00 51.13 C ATOM 1126 O ALA A 71 -10.547 -8.192 -6.295 1.00 13.33 O ATOM 1127 CB ALA A 71 -11.153 -5.527 -4.259 1.00 43.33 C ATOM 0 H ALA A 71 -9.020 -5.846 -3.062 1.00 51.41 H new ATOM 0 HA ALA A 71 -11.049 -7.645 -3.904 1.00 61.41 H new ATOM 0 HB1 ALA A 71 -12.023 -5.589 -4.912 1.00 43.33 H new ATOM 0 HB2 ALA A 71 -11.478 -5.312 -3.241 1.00 43.33 H new ATOM 0 HB3 ALA A 71 -10.495 -4.730 -4.606 1.00 43.33 H new ATOM 1133 N ASN A 72 -9.107 -6.453 -6.312 1.00 74.20 N ATOM 1134 CA ASN A 72 -8.677 -6.648 -7.703 1.00 0.32 C ATOM 1135 C ASN A 72 -8.090 -8.051 -7.934 1.00 24.24 C ATOM 1136 O ASN A 72 -8.458 -8.733 -8.889 1.00 70.24 O ATOM 1137 CB ASN A 72 -7.646 -5.572 -8.084 1.00 75.03 C ATOM 1138 CG ASN A 72 -7.162 -5.690 -9.518 1.00 65.24 C ATOM 1139 OD1 ASN A 72 -7.880 -6.149 -10.399 1.00 54.23 O ATOM 1140 ND2 ASN A 72 -5.937 -5.272 -9.769 1.00 5.41 N ATOM 0 H ASN A 72 -8.642 -5.678 -5.839 1.00 74.20 H new ATOM 0 HA ASN A 72 -9.557 -6.556 -8.339 1.00 0.32 H new ATOM 0 HB2 ASN A 72 -8.087 -4.586 -7.936 1.00 75.03 H new ATOM 0 HB3 ASN A 72 -6.791 -5.643 -7.412 1.00 75.03 H new ATOM 0 HD21 ASN A 72 -5.564 -5.326 -10.717 1.00 5.41 H new ATOM 0 HD22 ASN A 72 -5.362 -4.895 -9.015 1.00 5.41 H new ATOM 1147 N LEU A 73 -7.199 -8.482 -7.044 1.00 33.35 N ATOM 1148 CA LEU A 73 -6.531 -9.785 -7.181 1.00 41.14 C ATOM 1149 C LEU A 73 -7.560 -10.923 -7.287 1.00 72.55 C ATOM 1150 O LEU A 73 -7.558 -11.688 -8.254 1.00 5.30 O ATOM 1151 CB LEU A 73 -5.580 -10.012 -5.984 1.00 40.23 C ATOM 1152 CG LEU A 73 -4.575 -11.181 -6.101 1.00 51.22 C ATOM 1153 CD1 LEU A 73 -5.253 -12.536 -5.912 1.00 1.33 C ATOM 1154 CD2 LEU A 73 -3.844 -11.126 -7.442 1.00 5.13 C ATOM 0 H LEU A 73 -6.919 -7.952 -6.219 1.00 33.35 H new ATOM 0 HA LEU A 73 -5.946 -9.784 -8.101 1.00 41.14 H new ATOM 0 HB2 LEU A 73 -5.015 -9.094 -5.821 1.00 40.23 H new ATOM 0 HB3 LEU A 73 -6.188 -10.175 -5.094 1.00 40.23 H new ATOM 0 HG LEU A 73 -3.846 -11.068 -5.298 1.00 51.22 H new ATOM 0 HD11 LEU A 73 -4.511 -13.330 -6.002 1.00 1.33 H new ATOM 0 HD12 LEU A 73 -5.712 -12.579 -4.924 1.00 1.33 H new ATOM 0 HD13 LEU A 73 -6.020 -12.668 -6.675 1.00 1.33 H new ATOM 0 HD21 LEU A 73 -3.141 -11.956 -7.507 1.00 5.13 H new ATOM 0 HD22 LEU A 73 -4.567 -11.199 -8.254 1.00 5.13 H new ATOM 0 HD23 LEU A 73 -3.302 -10.184 -7.522 1.00 5.13 H new ATOM 1166 N GLU A 74 -8.447 -11.021 -6.299 1.00 3.10 N ATOM 1167 CA GLU A 74 -9.446 -12.094 -6.264 1.00 33.35 C ATOM 1168 C GLU A 74 -10.471 -11.984 -7.408 1.00 31.51 C ATOM 1169 O GLU A 74 -10.951 -13.002 -7.913 1.00 43.51 O ATOM 1170 CB GLU A 74 -10.161 -12.116 -4.907 1.00 72.21 C ATOM 1171 CG GLU A 74 -9.238 -12.429 -3.730 1.00 35.41 C ATOM 1172 CD GLU A 74 -8.528 -13.773 -3.856 1.00 22.13 C ATOM 1173 OE1 GLU A 74 -9.161 -14.752 -4.313 1.00 73.03 O ATOM 1174 OE2 GLU A 74 -7.338 -13.864 -3.481 1.00 51.43 O ATOM 0 H GLU A 74 -8.497 -10.373 -5.512 1.00 3.10 H new ATOM 0 HA GLU A 74 -8.910 -13.033 -6.404 1.00 33.35 H new ATOM 0 HB2 GLU A 74 -10.633 -11.148 -4.739 1.00 72.21 H new ATOM 0 HB3 GLU A 74 -10.959 -12.858 -4.939 1.00 72.21 H new ATOM 0 HG2 GLU A 74 -8.492 -11.639 -3.643 1.00 35.41 H new ATOM 0 HG3 GLU A 74 -9.821 -12.419 -2.809 1.00 35.41 H new ATOM 1181 N HIS A 75 -10.798 -10.760 -7.825 1.00 42.43 N ATOM 1182 CA HIS A 75 -11.760 -10.560 -8.919 1.00 15.54 C ATOM 1183 C HIS A 75 -11.124 -10.885 -10.279 1.00 72.11 C ATOM 1184 O HIS A 75 -11.782 -11.405 -11.178 1.00 22.04 O ATOM 1185 CB HIS A 75 -12.294 -9.123 -8.925 1.00 12.05 C ATOM 1186 CG HIS A 75 -13.483 -8.931 -9.822 1.00 44.35 C ATOM 1187 ND1 HIS A 75 -13.423 -8.299 -11.049 1.00 62.43 N ATOM 1188 CD2 HIS A 75 -14.776 -9.305 -9.663 1.00 42.21 C ATOM 1189 CE1 HIS A 75 -14.620 -8.297 -11.601 1.00 11.34 C ATOM 1190 NE2 HIS A 75 -15.457 -8.900 -10.782 1.00 15.30 N ATOM 0 H HIS A 75 -10.418 -9.900 -7.430 1.00 42.43 H new ATOM 0 HA HIS A 75 -12.593 -11.243 -8.751 1.00 15.54 H new ATOM 0 HB2 HIS A 75 -12.566 -8.840 -7.908 1.00 12.05 H new ATOM 0 HB3 HIS A 75 -11.498 -8.449 -9.241 1.00 12.05 H new ATOM 0 HD2 HIS A 75 -15.192 -9.825 -8.813 1.00 42.21 H new ATOM 0 HE1 HIS A 75 -14.872 -7.873 -12.562 1.00 11.34 H new ATOM 0 HE2 HIS A 75 -16.452 -9.043 -10.953 1.00 15.30 H new ATOM 1199 N HIS A 76 -9.837 -10.570 -10.417 1.00 64.52 N ATOM 1200 CA HIS A 76 -9.084 -10.877 -11.636 1.00 74.54 C ATOM 1201 C HIS A 76 -8.837 -12.388 -11.747 1.00 31.22 C ATOM 1202 O HIS A 76 -8.901 -12.964 -12.833 1.00 33.22 O ATOM 1203 CB HIS A 76 -7.751 -10.115 -11.639 1.00 24.20 C ATOM 1204 CG HIS A 76 -6.944 -10.296 -12.891 1.00 61.03 C ATOM 1205 ND1 HIS A 76 -5.850 -11.128 -12.971 1.00 33.43 N ATOM 1206 CD2 HIS A 76 -7.071 -9.734 -14.118 1.00 14.02 C ATOM 1207 CE1 HIS A 76 -5.341 -11.072 -14.183 1.00 43.14 C ATOM 1208 NE2 HIS A 76 -6.060 -10.235 -14.899 1.00 2.31 N ATOM 0 H HIS A 76 -9.290 -10.100 -9.696 1.00 64.52 H new ATOM 0 HA HIS A 76 -9.670 -10.560 -12.498 1.00 74.54 H new ATOM 0 HB2 HIS A 76 -7.952 -9.053 -11.500 1.00 24.20 H new ATOM 0 HB3 HIS A 76 -7.156 -10.442 -10.786 1.00 24.20 H new ATOM 0 HD2 HIS A 76 -7.826 -9.025 -14.424 1.00 14.02 H new ATOM 0 HE1 HIS A 76 -4.478 -11.621 -14.531 1.00 43.14 H new ATOM 0 HE2 HIS A 76 -5.893 -9.997 -15.877 1.00 2.31 H new ATOM 1217 N HIS A 77 -8.551 -13.019 -10.609 1.00 50.15 N ATOM 1218 CA HIS A 77 -8.364 -14.473 -10.543 1.00 1.11 C ATOM 1219 C HIS A 77 -9.722 -15.208 -10.558 1.00 35.30 C ATOM 1220 O HIS A 77 -9.777 -16.429 -10.709 1.00 22.15 O ATOM 1221 CB HIS A 77 -7.558 -14.831 -9.284 1.00 30.12 C ATOM 1222 CG HIS A 77 -7.140 -16.267 -9.211 1.00 32.51 C ATOM 1223 ND1 HIS A 77 -7.410 -17.074 -8.127 1.00 33.53 N ATOM 1224 CD2 HIS A 77 -6.452 -17.039 -10.083 1.00 1.53 C ATOM 1225 CE1 HIS A 77 -6.908 -18.274 -8.336 1.00 41.43 C ATOM 1226 NE2 HIS A 77 -6.323 -18.282 -9.513 1.00 61.30 N ATOM 0 H HIS A 77 -8.443 -12.544 -9.713 1.00 50.15 H new ATOM 0 HA HIS A 77 -7.809 -14.798 -11.423 1.00 1.11 H new ATOM 0 HB2 HIS A 77 -6.668 -14.203 -9.245 1.00 30.12 H new ATOM 0 HB3 HIS A 77 -8.155 -14.593 -8.404 1.00 30.12 H new ATOM 0 HD2 HIS A 77 -6.074 -16.735 -11.048 1.00 1.53 H new ATOM 0 HE1 HIS A 77 -6.967 -19.110 -7.655 1.00 41.43 H new ATOM 0 HE2 HIS A 77 -5.850 -19.081 -9.935 1.00 61.30 H new ATOM 1235 N HIS A 78 -10.802 -14.439 -10.386 1.00 25.44 N ATOM 1236 CA HIS A 78 -12.183 -14.937 -10.507 1.00 15.15 C ATOM 1237 C HIS A 78 -12.554 -15.977 -9.428 1.00 70.13 C ATOM 1238 O HIS A 78 -12.274 -17.168 -9.569 1.00 44.21 O ATOM 1239 CB HIS A 78 -12.421 -15.512 -11.912 1.00 31.11 C ATOM 1240 CG HIS A 78 -13.836 -15.947 -12.158 1.00 72.00 C ATOM 1241 ND1 HIS A 78 -14.271 -17.239 -11.957 1.00 72.35 N ATOM 1242 CD2 HIS A 78 -14.918 -15.253 -12.585 1.00 2.35 C ATOM 1243 CE1 HIS A 78 -15.553 -17.322 -12.251 1.00 0.32 C ATOM 1244 NE2 HIS A 78 -15.968 -16.134 -12.633 1.00 32.13 N ATOM 0 H HIS A 78 -10.746 -13.447 -10.157 1.00 25.44 H new ATOM 0 HA HIS A 78 -12.838 -14.080 -10.346 1.00 15.15 H new ATOM 0 HB2 HIS A 78 -12.148 -14.760 -12.653 1.00 31.11 H new ATOM 0 HB3 HIS A 78 -11.758 -16.364 -12.063 1.00 31.11 H new ATOM 0 HD2 HIS A 78 -14.948 -14.204 -12.840 1.00 2.35 H new ATOM 0 HE1 HIS A 78 -16.159 -18.214 -12.189 1.00 0.32 H new ATOM 0 HE2 HIS A 78 -16.920 -15.904 -12.919 1.00 32.13 H new ATOM 1253 N HIS A 79 -13.197 -15.512 -8.357 1.00 42.21 N ATOM 1254 CA HIS A 79 -13.726 -16.395 -7.301 1.00 4.43 C ATOM 1255 C HIS A 79 -14.880 -15.729 -6.537 1.00 53.51 C ATOM 1256 O HIS A 79 -14.748 -14.609 -6.039 1.00 63.50 O ATOM 1257 CB HIS A 79 -12.631 -16.812 -6.301 1.00 32.25 C ATOM 1258 CG HIS A 79 -11.871 -18.041 -6.701 1.00 44.32 C ATOM 1259 ND1 HIS A 79 -10.496 -18.103 -6.725 1.00 0.24 N ATOM 1260 CD2 HIS A 79 -12.304 -19.276 -7.058 1.00 40.11 C ATOM 1261 CE1 HIS A 79 -10.115 -19.313 -7.079 1.00 55.53 C ATOM 1262 NE2 HIS A 79 -11.190 -20.043 -7.286 1.00 5.22 N ATOM 0 H HIS A 79 -13.368 -14.520 -8.191 1.00 42.21 H new ATOM 0 HA HIS A 79 -14.099 -17.287 -7.805 1.00 4.43 H new ATOM 0 HB2 HIS A 79 -11.929 -15.987 -6.183 1.00 32.25 H new ATOM 0 HB3 HIS A 79 -13.090 -16.983 -5.327 1.00 32.25 H new ATOM 0 HD2 HIS A 79 -13.332 -19.595 -7.146 1.00 40.11 H new ATOM 0 HE1 HIS A 79 -9.094 -19.649 -7.182 1.00 55.53 H new ATOM 0 HE2 HIS A 79 -11.194 -21.023 -7.570 1.00 5.22 H new ATOM 1271 N HIS A 80 -16.011 -16.426 -6.450 1.00 4.11 N ATOM 1272 CA HIS A 80 -17.161 -15.957 -5.669 1.00 62.21 C ATOM 1273 C HIS A 80 -17.125 -16.539 -4.243 1.00 1.44 C ATOM 1274 O HIS A 80 -17.425 -17.743 -4.079 1.00 38.25 O ATOM 1275 CB HIS A 80 -18.477 -16.335 -6.373 1.00 24.35 C ATOM 1276 CG HIS A 80 -19.709 -15.975 -5.592 1.00 1.43 C ATOM 1277 ND1 HIS A 80 -20.270 -14.717 -5.596 1.00 0.02 N ATOM 1278 CD2 HIS A 80 -20.486 -16.720 -4.768 1.00 33.45 C ATOM 1279 CE1 HIS A 80 -21.329 -14.704 -4.812 1.00 3.51 C ATOM 1280 NE2 HIS A 80 -21.483 -15.905 -4.296 1.00 74.34 N ATOM 1281 OXT HIS A 80 -16.805 -15.787 -3.292 1.00 38.25 O ATOM 0 H HIS A 80 -16.159 -17.323 -6.912 1.00 4.11 H new ATOM 0 HA HIS A 80 -17.106 -14.871 -5.595 1.00 62.21 H new ATOM 0 HB2 HIS A 80 -18.515 -15.838 -7.342 1.00 24.35 H new ATOM 0 HB3 HIS A 80 -18.480 -17.408 -6.564 1.00 24.35 H new ATOM 0 HD2 HIS A 80 -20.346 -17.763 -4.527 1.00 33.45 H new ATOM 0 HE1 HIS A 80 -21.964 -13.851 -4.624 1.00 3.51 H new ATOM 0 HE2 HIS A 80 -22.222 -16.184 -3.651 1.00 74.34 H new TER 1290 HIS A 80