USER MOD reduce.3.24.130724 H: found=0, std=0, add=790, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 790 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 45 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 1 MET CE :methyl -152:sc= -0.67 (180deg=-2.26!) USER MOD Set 2.2: A 3 GLN : amide:sc= -0.775 K(o=-1.4,f=-0.43) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -163:sc= 1.27 (180deg=1.22) USER MOD Single : A 12 ASN : amide:sc= -0.0273 K(o=-0.027,f=-0.79) USER MOD Single : A 13 GLN : amide:sc= -0.613 K(o=-0.61,f=0) USER MOD Single : A 18 ASN : amide:sc= -1.01 K(o=-1,f=-5!) USER MOD Single : A 21 GLN : amide:sc= 0.378 X(o=0.38,f=-0.022) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 29 THR OG1 : rot -89:sc= 1.29 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 MET CE :methyl -165:sc= -1.8 (180deg=-3.58!) USER MOD Single : A 43 ASN : amide:sc= 2.58 K(o=2.6,f=-4.3!) USER MOD Single : A 47 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.108) USER MOD Single : A 52 GLN : amide:sc= 0.702 K(o=0.7,f=0) USER MOD Single : A 56 ASN : amide:sc= 1.16 K(o=1.2,f=-0.06) USER MOD Single : A 57 ASN : amide:sc= -0.0691 K(o=-0.069,f=-1.1!) USER MOD Single : A 58 TYR OH : rot 130:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -0.334! C(o=-0.33!,f=-4.1!) USER MOD Single : A 60 SER OG : rot 66:sc= 1.11 USER MOD Single : A 65 ASN : amide:sc= 0.785 K(o=0.78,f=-6.3!) USER MOD Single : A 68 SER OG : rot -83:sc= 1.25 USER MOD Single : A 72 GLN : amide:sc= -4.41! C(o=-4.4!,f=-5!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 MET CE :methyl -120:sc= -0.26 (180deg=-3.96!) USER MOD Single : A 78 MET CE :methyl 163:sc= -0.0663 (180deg=-0.465) USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= -0.389 K(o=-0.39,f=-3.6!) USER MOD Single : A 86 LYS NZ :NH3+ -137:sc= 0.0072 (180deg=-0.809) USER MOD Single : A 88 MET CE :methyl -107:sc= -0.697 (180deg=-2.26!) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= -0.69 K(o=-0.69,f=-2.4!) USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 95 HIS : no HD1:sc=-0.00312 X(o=-0.0031,f=-0.032) USER MOD Single : A 96 HIS : no HD1:sc= -0.228 X(o=-0.23,f=-0.021) USER MOD Single : A 97 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 98 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 99 HIS : no HD1:sc= 0 X(o=0,f=-0.0084) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.956 15.677 13.867 1.00 14.04 N ATOM 2 CA MET A 1 -2.189 14.799 12.956 1.00 50.33 C ATOM 3 C MET A 1 -3.156 13.976 12.105 1.00 64.44 C ATOM 4 O MET A 1 -3.666 14.462 11.096 1.00 34.02 O ATOM 5 CB MET A 1 -1.258 13.889 13.772 1.00 4.45 C ATOM 6 CG MET A 1 -0.017 13.409 13.033 1.00 61.11 C ATOM 7 SD MET A 1 -0.358 12.158 11.780 1.00 73.11 S ATOM 8 CE MET A 1 1.311 11.783 11.246 1.00 54.45 C ATOM 0 H1 MET A 1 -2.298 16.237 14.446 1.00 14.04 H new ATOM 0 H2 MET A 1 -3.556 16.317 13.309 1.00 14.04 H new ATOM 0 H3 MET A 1 -3.554 15.095 14.488 1.00 14.04 H new ATOM 0 HA MET A 1 -1.574 15.405 12.290 1.00 50.33 H new ATOM 0 HB2 MET A 1 -0.944 14.425 14.668 1.00 4.45 H new ATOM 0 HB3 MET A 1 -1.824 13.019 14.103 1.00 4.45 H new ATOM 0 HG2 MET A 1 0.466 14.263 12.559 1.00 61.11 H new ATOM 0 HG3 MET A 1 0.691 13.003 13.756 1.00 61.11 H new ATOM 0 HE1 MET A 1 1.294 11.446 10.209 1.00 54.45 H new ATOM 0 HE2 MET A 1 1.929 12.677 11.327 1.00 54.45 H new ATOM 0 HE3 MET A 1 1.727 10.997 11.876 1.00 54.45 H new ATOM 20 N ASP A 2 -3.416 12.739 12.541 1.00 15.24 N ATOM 21 CA ASP A 2 -4.415 11.855 11.922 1.00 11.35 C ATOM 22 C ASP A 2 -4.263 11.753 10.402 1.00 44.21 C ATOM 23 O ASP A 2 -5.253 11.564 9.692 1.00 63.44 O ATOM 24 CB ASP A 2 -5.833 12.332 12.260 1.00 45.10 C ATOM 25 CG ASP A 2 -6.101 12.374 13.749 1.00 12.52 C ATOM 26 OD1 ASP A 2 -5.766 11.394 14.449 1.00 70.25 O ATOM 27 OD2 ASP A 2 -6.630 13.399 14.230 1.00 13.42 O ATOM 0 H ASP A 2 -2.938 12.319 13.338 1.00 15.24 H new ATOM 0 HA ASP A 2 -4.243 10.861 12.335 1.00 11.35 H new ATOM 0 HB2 ASP A 2 -5.986 13.326 11.840 1.00 45.10 H new ATOM 0 HB3 ASP A 2 -6.557 11.670 11.784 1.00 45.10 H new ATOM 32 N GLN A 3 -3.027 11.834 9.908 1.00 64.21 N ATOM 33 CA GLN A 3 -2.772 11.809 8.467 1.00 54.10 C ATOM 34 C GLN A 3 -3.348 10.566 7.802 1.00 51.43 C ATOM 35 O GLN A 3 -3.770 10.622 6.651 1.00 63.24 O ATOM 36 CB GLN A 3 -1.279 11.871 8.162 1.00 33.41 C ATOM 37 CG GLN A 3 -0.647 13.222 8.431 1.00 71.25 C ATOM 38 CD GLN A 3 0.747 13.333 7.838 1.00 55.31 C ATOM 39 OE1 GLN A 3 1.190 14.416 7.468 1.00 53.13 O ATOM 40 NE2 GLN A 3 1.443 12.211 7.731 1.00 63.32 N ATOM 0 H GLN A 3 -2.188 11.917 10.483 1.00 64.21 H new ATOM 0 HA GLN A 3 -3.268 12.691 8.062 1.00 54.10 H new ATOM 0 HB2 GLN A 3 -0.766 11.117 8.759 1.00 33.41 H new ATOM 0 HB3 GLN A 3 -1.122 11.611 7.115 1.00 33.41 H new ATOM 0 HG2 GLN A 3 -1.280 14.006 8.016 1.00 71.25 H new ATOM 0 HG3 GLN A 3 -0.596 13.390 9.507 1.00 71.25 H new ATOM 0 HE21 GLN A 3 1.041 11.329 8.050 1.00 63.32 H new ATOM 0 HE22 GLN A 3 2.381 12.229 7.330 1.00 63.32 H new ATOM 49 N LEU A 4 -3.358 9.450 8.525 1.00 62.23 N ATOM 50 CA LEU A 4 -3.824 8.184 7.972 1.00 73.43 C ATOM 51 C LEU A 4 -5.246 8.299 7.426 1.00 23.54 C ATOM 52 O LEU A 4 -5.540 7.762 6.363 1.00 40.31 O ATOM 53 CB LEU A 4 -3.736 7.063 9.014 1.00 53.12 C ATOM 54 CG LEU A 4 -2.313 6.645 9.394 1.00 75.40 C ATOM 55 CD1 LEU A 4 -2.338 5.480 10.368 1.00 44.01 C ATOM 56 CD2 LEU A 4 -1.515 6.279 8.153 1.00 40.41 C ATOM 0 H LEU A 4 -3.048 9.397 9.495 1.00 62.23 H new ATOM 0 HA LEU A 4 -3.167 7.932 7.140 1.00 73.43 H new ATOM 0 HB2 LEU A 4 -4.258 7.384 9.916 1.00 53.12 H new ATOM 0 HB3 LEU A 4 -4.266 6.190 8.633 1.00 53.12 H new ATOM 0 HG LEU A 4 -1.828 7.491 9.881 1.00 75.40 H new ATOM 0 HD11 LEU A 4 -1.317 5.199 10.625 1.00 44.01 H new ATOM 0 HD12 LEU A 4 -2.872 5.773 11.272 1.00 44.01 H new ATOM 0 HD13 LEU A 4 -2.843 4.631 9.907 1.00 44.01 H new ATOM 0 HD21 LEU A 4 -0.506 5.985 8.443 1.00 40.41 H new ATOM 0 HD22 LEU A 4 -2.001 5.450 7.639 1.00 40.41 H new ATOM 0 HD23 LEU A 4 -1.464 7.140 7.486 1.00 40.41 H new ATOM 68 N LYS A 5 -6.112 9.025 8.128 1.00 34.54 N ATOM 69 CA LYS A 5 -7.481 9.213 7.661 1.00 1.43 C ATOM 70 C LYS A 5 -7.482 10.058 6.393 1.00 24.22 C ATOM 71 O LYS A 5 -8.123 9.709 5.402 1.00 55.51 O ATOM 72 CB LYS A 5 -8.351 9.875 8.731 1.00 43.44 C ATOM 73 CG LYS A 5 -9.792 10.069 8.281 1.00 40.23 C ATOM 74 CD LYS A 5 -10.643 10.762 9.333 1.00 11.41 C ATOM 75 CE LYS A 5 -10.809 9.914 10.584 1.00 62.22 C ATOM 76 NZ LYS A 5 -11.857 10.467 11.482 1.00 14.13 N ATOM 0 H LYS A 5 -5.894 9.487 9.011 1.00 34.54 H new ATOM 0 HA LYS A 5 -7.903 8.231 7.447 1.00 1.43 H new ATOM 0 HB2 LYS A 5 -8.336 9.265 9.634 1.00 43.44 H new ATOM 0 HB3 LYS A 5 -7.923 10.843 8.993 1.00 43.44 H new ATOM 0 HG2 LYS A 5 -9.806 10.656 7.363 1.00 40.23 H new ATOM 0 HG3 LYS A 5 -10.229 9.099 8.046 1.00 40.23 H new ATOM 0 HD2 LYS A 5 -10.185 11.714 9.599 1.00 11.41 H new ATOM 0 HD3 LYS A 5 -11.624 10.986 8.915 1.00 11.41 H new ATOM 0 HE2 LYS A 5 -11.071 8.894 10.302 1.00 62.22 H new ATOM 0 HE3 LYS A 5 -9.860 9.863 11.119 1.00 62.22 H new ATOM 0 HZ1 LYS A 5 -11.945 9.865 12.325 1.00 14.13 H new ATOM 0 HZ2 LYS A 5 -11.594 11.431 11.771 1.00 14.13 H new ATOM 0 HZ3 LYS A 5 -12.767 10.493 10.979 1.00 14.13 H new ATOM 90 N THR A 6 -6.733 11.155 6.435 1.00 44.14 N ATOM 91 CA THR A 6 -6.590 12.053 5.295 1.00 52.21 C ATOM 92 C THR A 6 -6.131 11.289 4.050 1.00 63.45 C ATOM 93 O THR A 6 -6.709 11.422 2.971 1.00 44.20 O ATOM 94 CB THR A 6 -5.563 13.159 5.619 1.00 34.23 C ATOM 95 OG1 THR A 6 -5.945 13.846 6.821 1.00 1.14 O ATOM 96 CG2 THR A 6 -5.438 14.153 4.476 1.00 54.44 C ATOM 0 H THR A 6 -6.208 11.446 7.260 1.00 44.14 H new ATOM 0 HA THR A 6 -7.564 12.500 5.095 1.00 52.21 H new ATOM 0 HB THR A 6 -4.593 12.684 5.762 1.00 34.23 H new ATOM 0 HG1 THR A 6 -5.288 14.545 7.021 1.00 1.14 H new ATOM 0 HG21 THR A 6 -4.707 14.918 4.737 1.00 54.44 H new ATOM 0 HG22 THR A 6 -5.112 13.633 3.575 1.00 54.44 H new ATOM 0 HG23 THR A 6 -6.405 14.622 4.294 1.00 54.44 H new ATOM 104 N ILE A 7 -5.100 10.477 4.229 1.00 12.43 N ATOM 105 CA ILE A 7 -4.541 9.669 3.155 1.00 12.42 C ATOM 106 C ILE A 7 -5.594 8.741 2.553 1.00 71.52 C ATOM 107 O ILE A 7 -5.748 8.670 1.334 1.00 23.42 O ATOM 108 CB ILE A 7 -3.350 8.842 3.678 1.00 63.44 C ATOM 109 CG1 ILE A 7 -2.232 9.784 4.125 1.00 64.15 C ATOM 110 CG2 ILE A 7 -2.847 7.873 2.617 1.00 51.41 C ATOM 111 CD1 ILE A 7 -1.179 9.126 4.987 1.00 50.02 C ATOM 0 H ILE A 7 -4.626 10.359 5.125 1.00 12.43 H new ATOM 0 HA ILE A 7 -4.196 10.344 2.372 1.00 12.42 H new ATOM 0 HB ILE A 7 -3.681 8.250 4.531 1.00 63.44 H new ATOM 0 HG12 ILE A 7 -1.752 10.206 3.242 1.00 64.15 H new ATOM 0 HG13 ILE A 7 -2.671 10.615 4.677 1.00 64.15 H new ATOM 0 HG21 ILE A 7 -2.007 7.303 3.014 1.00 51.41 H new ATOM 0 HG22 ILE A 7 -3.649 7.190 2.338 1.00 51.41 H new ATOM 0 HG23 ILE A 7 -2.524 8.431 1.738 1.00 51.41 H new ATOM 0 HD11 ILE A 7 -0.422 9.861 5.262 1.00 50.02 H new ATOM 0 HD12 ILE A 7 -1.644 8.729 5.889 1.00 50.02 H new ATOM 0 HD13 ILE A 7 -0.711 8.313 4.432 1.00 50.02 H new ATOM 123 N LYS A 8 -6.332 8.051 3.417 1.00 74.21 N ATOM 124 CA LYS A 8 -7.372 7.132 2.968 1.00 11.30 C ATOM 125 C LYS A 8 -8.444 7.875 2.182 1.00 54.43 C ATOM 126 O LYS A 8 -8.891 7.403 1.137 1.00 31.41 O ATOM 127 CB LYS A 8 -7.992 6.398 4.162 1.00 11.02 C ATOM 128 CG LYS A 8 -6.976 5.584 4.940 1.00 11.42 C ATOM 129 CD LYS A 8 -7.579 4.922 6.168 1.00 3.45 C ATOM 130 CE LYS A 8 -6.490 4.322 7.042 1.00 15.30 C ATOM 131 NZ LYS A 8 -7.042 3.514 8.159 1.00 32.30 N ATOM 0 H LYS A 8 -6.229 8.111 4.430 1.00 74.21 H new ATOM 0 HA LYS A 8 -6.915 6.394 2.309 1.00 11.30 H new ATOM 0 HB2 LYS A 8 -8.457 7.125 4.829 1.00 11.02 H new ATOM 0 HB3 LYS A 8 -8.784 5.739 3.807 1.00 11.02 H new ATOM 0 HG2 LYS A 8 -6.553 4.819 4.289 1.00 11.42 H new ATOM 0 HG3 LYS A 8 -6.154 6.231 5.247 1.00 11.42 H new ATOM 0 HD2 LYS A 8 -8.149 5.654 6.740 1.00 3.45 H new ATOM 0 HD3 LYS A 8 -8.277 4.143 5.862 1.00 3.45 H new ATOM 0 HE2 LYS A 8 -5.841 3.696 6.430 1.00 15.30 H new ATOM 0 HE3 LYS A 8 -5.871 5.122 7.447 1.00 15.30 H new ATOM 0 HZ1 LYS A 8 -6.306 3.368 8.879 1.00 32.30 H new ATOM 0 HZ2 LYS A 8 -7.848 4.015 8.584 1.00 32.30 H new ATOM 0 HZ3 LYS A 8 -7.359 2.592 7.797 1.00 32.30 H new ATOM 145 N GLU A 9 -8.830 9.050 2.670 1.00 12.04 N ATOM 146 CA GLU A 9 -9.823 9.871 1.990 1.00 23.35 C ATOM 147 C GLU A 9 -9.346 10.249 0.595 1.00 30.24 C ATOM 148 O GLU A 9 -10.094 10.146 -0.375 1.00 71.32 O ATOM 149 CB GLU A 9 -10.122 11.142 2.784 1.00 62.53 C ATOM 150 CG GLU A 9 -10.734 10.885 4.148 1.00 1.52 C ATOM 151 CD GLU A 9 -11.157 12.164 4.832 1.00 22.45 C ATOM 152 OE1 GLU A 9 -10.299 12.838 5.441 1.00 52.24 O ATOM 153 OE2 GLU A 9 -12.352 12.511 4.751 1.00 54.25 O ATOM 0 H GLU A 9 -8.469 9.454 3.534 1.00 12.04 H new ATOM 0 HA GLU A 9 -10.736 9.281 1.910 1.00 23.35 H new ATOM 0 HB2 GLU A 9 -9.197 11.705 2.912 1.00 62.53 H new ATOM 0 HB3 GLU A 9 -10.800 11.769 2.205 1.00 62.53 H new ATOM 0 HG2 GLU A 9 -11.598 10.230 4.039 1.00 1.52 H new ATOM 0 HG3 GLU A 9 -10.013 10.360 4.775 1.00 1.52 H new ATOM 160 N LEU A 10 -8.093 10.682 0.503 1.00 64.24 N ATOM 161 CA LEU A 10 -7.506 11.076 -0.772 1.00 33.44 C ATOM 162 C LEU A 10 -7.542 9.921 -1.766 1.00 70.25 C ATOM 163 O LEU A 10 -7.963 10.089 -2.908 1.00 44.22 O ATOM 164 CB LEU A 10 -6.067 11.552 -0.567 1.00 4.23 C ATOM 165 CG LEU A 10 -5.914 12.781 0.328 1.00 55.54 C ATOM 166 CD1 LEU A 10 -4.446 13.061 0.603 1.00 72.34 C ATOM 167 CD2 LEU A 10 -6.582 13.993 -0.307 1.00 74.12 C ATOM 0 H LEU A 10 -7.462 10.769 1.300 1.00 64.24 H new ATOM 0 HA LEU A 10 -8.095 11.897 -1.180 1.00 33.44 H new ATOM 0 HB2 LEU A 10 -5.488 10.734 -0.138 1.00 4.23 H new ATOM 0 HB3 LEU A 10 -5.632 11.774 -1.541 1.00 4.23 H new ATOM 0 HG LEU A 10 -6.408 12.578 1.278 1.00 55.54 H new ATOM 0 HD11 LEU A 10 -4.357 13.940 1.242 1.00 72.34 H new ATOM 0 HD12 LEU A 10 -3.999 12.202 1.103 1.00 72.34 H new ATOM 0 HD13 LEU A 10 -3.928 13.243 -0.338 1.00 72.34 H new ATOM 0 HD21 LEU A 10 -6.462 14.858 0.345 1.00 74.12 H new ATOM 0 HD22 LEU A 10 -6.119 14.200 -1.272 1.00 74.12 H new ATOM 0 HD23 LEU A 10 -7.643 13.790 -0.450 1.00 74.12 H new ATOM 179 N ILE A 11 -7.127 8.745 -1.313 1.00 52.40 N ATOM 180 CA ILE A 11 -7.115 7.552 -2.158 1.00 11.14 C ATOM 181 C ILE A 11 -8.527 7.187 -2.621 1.00 32.50 C ATOM 182 O ILE A 11 -8.732 6.842 -3.784 1.00 4.11 O ATOM 183 CB ILE A 11 -6.478 6.351 -1.421 1.00 74.23 C ATOM 184 CG1 ILE A 11 -5.020 6.661 -1.082 1.00 54.44 C ATOM 185 CG2 ILE A 11 -6.566 5.087 -2.264 1.00 33.01 C ATOM 186 CD1 ILE A 11 -4.384 5.664 -0.140 1.00 21.53 C ATOM 0 H ILE A 11 -6.793 8.589 -0.362 1.00 52.40 H new ATOM 0 HA ILE A 11 -6.510 7.784 -3.034 1.00 11.14 H new ATOM 0 HB ILE A 11 -7.031 6.181 -0.497 1.00 74.23 H new ATOM 0 HG12 ILE A 11 -4.442 6.693 -2.005 1.00 54.44 H new ATOM 0 HG13 ILE A 11 -4.964 7.654 -0.636 1.00 54.44 H new ATOM 0 HG21 ILE A 11 -6.111 4.257 -1.724 1.00 33.01 H new ATOM 0 HG22 ILE A 11 -7.612 4.858 -2.468 1.00 33.01 H new ATOM 0 HG23 ILE A 11 -6.038 5.240 -3.205 1.00 33.01 H new ATOM 0 HD11 ILE A 11 -3.351 5.953 0.052 1.00 21.53 H new ATOM 0 HD12 ILE A 11 -4.937 5.647 0.799 1.00 21.53 H new ATOM 0 HD13 ILE A 11 -4.406 4.672 -0.591 1.00 21.53 H new ATOM 198 N ASN A 12 -9.496 7.283 -1.712 1.00 52.34 N ATOM 199 CA ASN A 12 -10.897 6.991 -2.033 1.00 75.05 C ATOM 200 C ASN A 12 -11.393 7.880 -3.170 1.00 13.23 C ATOM 201 O ASN A 12 -12.163 7.443 -4.029 1.00 70.11 O ATOM 202 CB ASN A 12 -11.794 7.203 -0.805 1.00 34.32 C ATOM 203 CG ASN A 12 -11.560 6.186 0.298 1.00 34.51 C ATOM 204 OD1 ASN A 12 -11.191 5.042 0.039 1.00 62.30 O ATOM 205 ND2 ASN A 12 -11.786 6.592 1.541 1.00 2.11 N ATOM 0 H ASN A 12 -9.338 7.561 -0.744 1.00 52.34 H new ATOM 0 HA ASN A 12 -10.949 5.947 -2.343 1.00 75.05 H new ATOM 0 HB2 ASN A 12 -11.623 8.204 -0.408 1.00 34.32 H new ATOM 0 HB3 ASN A 12 -12.838 7.157 -1.115 1.00 34.32 H new ATOM 0 HD21 ASN A 12 -11.654 5.947 2.320 1.00 2.11 H new ATOM 0 HD22 ASN A 12 -12.091 7.549 1.717 1.00 2.11 H new ATOM 212 N GLN A 13 -10.941 9.126 -3.169 1.00 24.30 N ATOM 213 CA GLN A 13 -11.369 10.107 -4.160 1.00 72.31 C ATOM 214 C GLN A 13 -10.585 9.946 -5.457 1.00 62.13 C ATOM 215 O GLN A 13 -11.159 9.964 -6.544 1.00 52.23 O ATOM 216 CB GLN A 13 -11.188 11.519 -3.605 1.00 50.14 C ATOM 217 CG GLN A 13 -11.902 11.730 -2.283 1.00 32.40 C ATOM 218 CD GLN A 13 -11.562 13.053 -1.639 1.00 0.41 C ATOM 219 OE1 GLN A 13 -12.239 14.059 -1.850 1.00 23.21 O ATOM 220 NE2 GLN A 13 -10.504 13.058 -0.845 1.00 2.53 N ATOM 0 H GLN A 13 -10.272 9.485 -2.487 1.00 24.30 H new ATOM 0 HA GLN A 13 -12.424 9.941 -4.378 1.00 72.31 H new ATOM 0 HB2 GLN A 13 -10.125 11.719 -3.474 1.00 50.14 H new ATOM 0 HB3 GLN A 13 -11.560 12.240 -4.332 1.00 50.14 H new ATOM 0 HG2 GLN A 13 -12.979 11.676 -2.444 1.00 32.40 H new ATOM 0 HG3 GLN A 13 -11.640 10.921 -1.601 1.00 32.40 H new ATOM 0 HE21 GLN A 13 -9.972 12.200 -0.699 1.00 2.53 H new ATOM 0 HE22 GLN A 13 -10.220 13.920 -0.379 1.00 2.53 H new ATOM 229 N GLY A 14 -9.275 9.772 -5.337 1.00 71.22 N ATOM 230 CA GLY A 14 -8.439 9.618 -6.514 1.00 50.24 C ATOM 231 C GLY A 14 -7.144 10.395 -6.412 1.00 41.22 C ATOM 232 O GLY A 14 -6.334 10.393 -7.339 1.00 12.13 O ATOM 0 H GLY A 14 -8.776 9.735 -4.448 1.00 71.22 H new ATOM 0 HA2 GLY A 14 -8.214 8.561 -6.660 1.00 50.24 H new ATOM 0 HA3 GLY A 14 -8.990 9.951 -7.393 1.00 50.24 H new ATOM 236 N ASP A 15 -6.945 11.050 -5.279 1.00 24.11 N ATOM 237 CA ASP A 15 -5.743 11.836 -5.038 1.00 30.12 C ATOM 238 C ASP A 15 -4.635 10.951 -4.472 1.00 2.42 C ATOM 239 O ASP A 15 -4.179 11.145 -3.343 1.00 33.52 O ATOM 240 CB ASP A 15 -6.041 12.987 -4.069 1.00 51.22 C ATOM 241 CG ASP A 15 -7.119 13.920 -4.581 1.00 35.34 C ATOM 242 OD1 ASP A 15 -8.316 13.614 -4.394 1.00 33.33 O ATOM 243 OD2 ASP A 15 -6.779 14.968 -5.165 1.00 55.11 O ATOM 0 H ASP A 15 -7.608 11.053 -4.504 1.00 24.11 H new ATOM 0 HA ASP A 15 -5.409 12.255 -5.988 1.00 30.12 H new ATOM 0 HB2 ASP A 15 -6.349 12.576 -3.107 1.00 51.22 H new ATOM 0 HB3 ASP A 15 -5.127 13.555 -3.895 1.00 51.22 H new ATOM 248 N ILE A 16 -4.214 9.976 -5.264 1.00 40.34 N ATOM 249 CA ILE A 16 -3.217 9.005 -4.832 1.00 40.12 C ATOM 250 C ILE A 16 -1.878 9.669 -4.529 1.00 1.30 C ATOM 251 O ILE A 16 -1.310 9.450 -3.460 1.00 51.21 O ATOM 252 CB ILE A 16 -3.025 7.876 -5.878 1.00 50.52 C ATOM 253 CG1 ILE A 16 -4.117 6.809 -5.736 1.00 53.23 C ATOM 254 CG2 ILE A 16 -1.652 7.231 -5.744 1.00 61.32 C ATOM 255 CD1 ILE A 16 -5.522 7.301 -5.993 1.00 22.31 C ATOM 0 H ILE A 16 -4.550 9.835 -6.217 1.00 40.34 H new ATOM 0 HA ILE A 16 -3.595 8.560 -3.912 1.00 40.12 H new ATOM 0 HB ILE A 16 -3.101 8.329 -6.867 1.00 50.52 H new ATOM 0 HG12 ILE A 16 -3.901 5.994 -6.427 1.00 53.23 H new ATOM 0 HG13 ILE A 16 -4.071 6.394 -4.729 1.00 53.23 H new ATOM 0 HG21 ILE A 16 -1.546 6.443 -6.490 1.00 61.32 H new ATOM 0 HG22 ILE A 16 -0.879 7.984 -5.899 1.00 61.32 H new ATOM 0 HG23 ILE A 16 -1.547 6.803 -4.747 1.00 61.32 H new ATOM 0 HD11 ILE A 16 -6.224 6.477 -5.869 1.00 22.31 H new ATOM 0 HD12 ILE A 16 -5.765 8.094 -5.286 1.00 22.31 H new ATOM 0 HD13 ILE A 16 -5.592 7.688 -7.010 1.00 22.31 H new ATOM 267 N GLU A 17 -1.377 10.475 -5.460 1.00 55.13 N ATOM 268 CA GLU A 17 -0.097 11.148 -5.274 1.00 44.01 C ATOM 269 C GLU A 17 -0.112 11.991 -4.006 1.00 3.35 C ATOM 270 O GLU A 17 0.851 11.990 -3.243 1.00 61.14 O ATOM 271 CB GLU A 17 0.253 12.025 -6.479 1.00 74.21 C ATOM 272 CG GLU A 17 0.372 11.257 -7.785 1.00 72.30 C ATOM 273 CD GLU A 17 -0.927 11.210 -8.564 1.00 72.42 C ATOM 274 OE1 GLU A 17 -1.930 10.680 -8.044 1.00 11.22 O ATOM 275 OE2 GLU A 17 -0.947 11.714 -9.707 1.00 42.41 O ATOM 0 H GLU A 17 -1.836 10.677 -6.348 1.00 55.13 H new ATOM 0 HA GLU A 17 0.667 10.377 -5.179 1.00 44.01 H new ATOM 0 HB2 GLU A 17 -0.511 12.795 -6.590 1.00 74.21 H new ATOM 0 HB3 GLU A 17 1.195 12.537 -6.282 1.00 74.21 H new ATOM 0 HG2 GLU A 17 1.143 11.718 -8.402 1.00 72.30 H new ATOM 0 HG3 GLU A 17 0.699 10.239 -7.573 1.00 72.30 H new ATOM 282 N ASN A 18 -1.218 12.686 -3.780 1.00 12.10 N ATOM 283 CA ASN A 18 -1.391 13.508 -2.583 1.00 41.33 C ATOM 284 C ASN A 18 -1.259 12.642 -1.335 1.00 51.30 C ATOM 285 O ASN A 18 -0.553 12.992 -0.381 1.00 71.43 O ATOM 286 CB ASN A 18 -2.766 14.190 -2.590 1.00 5.44 C ATOM 287 CG ASN A 18 -3.003 15.062 -3.816 1.00 22.31 C ATOM 288 OD1 ASN A 18 -2.457 14.816 -4.892 1.00 70.52 O ATOM 289 ND2 ASN A 18 -3.830 16.084 -3.669 1.00 40.43 N ATOM 0 H ASN A 18 -2.017 12.699 -4.414 1.00 12.10 H new ATOM 0 HA ASN A 18 -0.617 14.276 -2.578 1.00 41.33 H new ATOM 0 HB2 ASN A 18 -3.542 13.426 -2.541 1.00 5.44 H new ATOM 0 HB3 ASN A 18 -2.864 14.802 -1.694 1.00 5.44 H new ATOM 0 HD21 ASN A 18 -4.031 16.695 -4.460 1.00 40.43 H new ATOM 0 HD22 ASN A 18 -4.266 16.261 -2.764 1.00 40.43 H new ATOM 296 N ALA A 19 -1.938 11.502 -1.360 1.00 21.03 N ATOM 297 CA ALA A 19 -1.869 10.535 -0.276 1.00 20.02 C ATOM 298 C ALA A 19 -0.442 10.039 -0.084 1.00 62.21 C ATOM 299 O ALA A 19 0.038 9.928 1.040 1.00 74.52 O ATOM 300 CB ALA A 19 -2.803 9.371 -0.555 1.00 41.25 C ATOM 0 H ALA A 19 -2.548 11.224 -2.129 1.00 21.03 H new ATOM 0 HA ALA A 19 -2.184 11.025 0.645 1.00 20.02 H new ATOM 0 HB1 ALA A 19 -2.744 8.653 0.263 1.00 41.25 H new ATOM 0 HB2 ALA A 19 -3.826 9.738 -0.642 1.00 41.25 H new ATOM 0 HB3 ALA A 19 -2.511 8.885 -1.486 1.00 41.25 H new ATOM 306 N LEU A 20 0.235 9.758 -1.195 1.00 70.42 N ATOM 307 CA LEU A 20 1.611 9.278 -1.157 1.00 2.15 C ATOM 308 C LEU A 20 2.532 10.303 -0.506 1.00 52.33 C ATOM 309 O LEU A 20 3.454 9.933 0.214 1.00 74.10 O ATOM 310 CB LEU A 20 2.115 8.947 -2.563 1.00 32.53 C ATOM 311 CG LEU A 20 1.360 7.830 -3.287 1.00 42.32 C ATOM 312 CD1 LEU A 20 1.917 7.641 -4.688 1.00 1.22 C ATOM 313 CD2 LEU A 20 1.441 6.531 -2.501 1.00 42.24 C ATOM 0 H LEU A 20 -0.150 9.855 -2.135 1.00 70.42 H new ATOM 0 HA LEU A 20 1.623 8.368 -0.557 1.00 2.15 H new ATOM 0 HB2 LEU A 20 2.063 9.850 -3.171 1.00 32.53 H new ATOM 0 HB3 LEU A 20 3.166 8.668 -2.497 1.00 32.53 H new ATOM 0 HG LEU A 20 0.311 8.116 -3.365 1.00 42.32 H new ATOM 0 HD11 LEU A 20 1.371 6.843 -5.192 1.00 1.22 H new ATOM 0 HD12 LEU A 20 1.808 8.568 -5.251 1.00 1.22 H new ATOM 0 HD13 LEU A 20 2.973 7.376 -4.627 1.00 1.22 H new ATOM 0 HD21 LEU A 20 0.898 5.750 -3.033 1.00 42.24 H new ATOM 0 HD22 LEU A 20 2.485 6.237 -2.391 1.00 42.24 H new ATOM 0 HD23 LEU A 20 0.998 6.674 -1.515 1.00 42.24 H new ATOM 325 N GLN A 21 2.275 11.589 -0.750 1.00 5.33 N ATOM 326 CA GLN A 21 3.080 12.650 -0.146 1.00 71.32 C ATOM 327 C GLN A 21 2.999 12.552 1.369 1.00 61.33 C ATOM 328 O GLN A 21 4.013 12.594 2.071 1.00 30.40 O ATOM 329 CB GLN A 21 2.599 14.041 -0.572 1.00 40.40 C ATOM 330 CG GLN A 21 2.427 14.234 -2.070 1.00 34.21 C ATOM 331 CD GLN A 21 3.650 13.841 -2.871 1.00 75.43 C ATOM 332 OE1 GLN A 21 4.555 14.647 -3.083 1.00 31.12 O ATOM 333 NE2 GLN A 21 3.669 12.607 -3.344 1.00 24.23 N ATOM 0 H GLN A 21 1.523 11.918 -1.356 1.00 5.33 H new ATOM 0 HA GLN A 21 4.107 12.518 -0.488 1.00 71.32 H new ATOM 0 HB2 GLN A 21 1.646 14.244 -0.084 1.00 40.40 H new ATOM 0 HB3 GLN A 21 3.309 14.782 -0.205 1.00 40.40 H new ATOM 0 HG2 GLN A 21 1.575 13.645 -2.409 1.00 34.21 H new ATOM 0 HG3 GLN A 21 2.192 15.279 -2.270 1.00 34.21 H new ATOM 0 HE21 GLN A 21 2.897 11.972 -3.143 1.00 24.23 H new ATOM 0 HE22 GLN A 21 4.456 12.290 -3.910 1.00 24.23 H new ATOM 342 N ALA A 22 1.778 12.411 1.862 1.00 12.52 N ATOM 343 CA ALA A 22 1.541 12.306 3.297 1.00 1.11 C ATOM 344 C ALA A 22 2.078 10.986 3.845 1.00 72.30 C ATOM 345 O ALA A 22 2.590 10.931 4.963 1.00 53.43 O ATOM 346 CB ALA A 22 0.058 12.455 3.597 1.00 21.22 C ATOM 0 H ALA A 22 0.934 12.366 1.291 1.00 12.52 H new ATOM 0 HA ALA A 22 2.077 13.114 3.795 1.00 1.11 H new ATOM 0 HB1 ALA A 22 -0.106 12.375 4.672 1.00 21.22 H new ATOM 0 HB2 ALA A 22 -0.288 13.428 3.249 1.00 21.22 H new ATOM 0 HB3 ALA A 22 -0.497 11.669 3.086 1.00 21.22 H new ATOM 352 N LEU A 23 1.963 9.930 3.045 1.00 62.43 N ATOM 353 CA LEU A 23 2.471 8.611 3.414 1.00 62.33 C ATOM 354 C LEU A 23 3.983 8.636 3.602 1.00 13.11 C ATOM 355 O LEU A 23 4.495 8.153 4.609 1.00 43.14 O ATOM 356 CB LEU A 23 2.091 7.578 2.352 1.00 42.15 C ATOM 357 CG LEU A 23 0.627 7.140 2.370 1.00 64.42 C ATOM 358 CD1 LEU A 23 0.279 6.362 1.111 1.00 71.01 C ATOM 359 CD2 LEU A 23 0.348 6.297 3.602 1.00 35.41 C ATOM 0 H LEU A 23 1.518 9.963 2.128 1.00 62.43 H new ATOM 0 HA LEU A 23 2.015 8.330 4.363 1.00 62.33 H new ATOM 0 HB2 LEU A 23 2.319 7.989 1.369 1.00 42.15 H new ATOM 0 HB3 LEU A 23 2.720 6.697 2.483 1.00 42.15 H new ATOM 0 HG LEU A 23 0.003 8.033 2.403 1.00 64.42 H new ATOM 0 HD11 LEU A 23 -0.768 6.061 1.147 1.00 71.01 H new ATOM 0 HD12 LEU A 23 0.446 6.991 0.237 1.00 71.01 H new ATOM 0 HD13 LEU A 23 0.909 5.475 1.045 1.00 71.01 H new ATOM 0 HD21 LEU A 23 -0.698 5.991 3.604 1.00 35.41 H new ATOM 0 HD22 LEU A 23 0.985 5.413 3.590 1.00 35.41 H new ATOM 0 HD23 LEU A 23 0.557 6.882 4.498 1.00 35.41 H new ATOM 371 N GLU A 24 4.689 9.207 2.631 1.00 73.44 N ATOM 372 CA GLU A 24 6.142 9.328 2.699 1.00 53.11 C ATOM 373 C GLU A 24 6.570 10.066 3.961 1.00 62.14 C ATOM 374 O GLU A 24 7.499 9.653 4.655 1.00 51.15 O ATOM 375 CB GLU A 24 6.655 10.077 1.474 1.00 72.34 C ATOM 376 CG GLU A 24 6.526 9.297 0.181 1.00 1.23 C ATOM 377 CD GLU A 24 7.535 8.173 0.087 1.00 72.42 C ATOM 378 OE1 GLU A 24 8.720 8.463 -0.166 1.00 53.44 O ATOM 379 OE2 GLU A 24 7.151 6.999 0.254 1.00 64.04 O ATOM 0 H GLU A 24 4.276 9.595 1.783 1.00 73.44 H new ATOM 0 HA GLU A 24 6.567 8.325 2.723 1.00 53.11 H new ATOM 0 HB2 GLU A 24 6.108 11.015 1.378 1.00 72.34 H new ATOM 0 HB3 GLU A 24 7.703 10.334 1.629 1.00 72.34 H new ATOM 0 HG2 GLU A 24 5.519 8.886 0.106 1.00 1.23 H new ATOM 0 HG3 GLU A 24 6.658 9.973 -0.664 1.00 1.23 H new ATOM 386 N GLU A 25 5.877 11.155 4.255 1.00 70.31 N ATOM 387 CA GLU A 25 6.170 11.951 5.431 1.00 3.33 C ATOM 388 C GLU A 25 5.819 11.180 6.701 1.00 10.53 C ATOM 389 O GLU A 25 6.534 11.254 7.702 1.00 12.14 O ATOM 390 CB GLU A 25 5.411 13.281 5.365 1.00 62.03 C ATOM 391 CG GLU A 25 5.496 14.099 6.639 1.00 33.53 C ATOM 392 CD GLU A 25 5.065 15.536 6.438 1.00 34.35 C ATOM 393 OE1 GLU A 25 3.938 15.770 5.955 1.00 61.02 O ATOM 394 OE2 GLU A 25 5.867 16.442 6.738 1.00 3.42 O ATOM 0 H GLU A 25 5.104 11.507 3.690 1.00 70.31 H new ATOM 0 HA GLU A 25 7.238 12.166 5.457 1.00 3.33 H new ATOM 0 HB2 GLU A 25 5.804 13.872 4.538 1.00 62.03 H new ATOM 0 HB3 GLU A 25 4.363 13.080 5.143 1.00 62.03 H new ATOM 0 HG2 GLU A 25 4.870 13.639 7.404 1.00 33.53 H new ATOM 0 HG3 GLU A 25 6.520 14.079 7.011 1.00 33.53 H new ATOM 401 N PHE A 26 4.734 10.417 6.638 1.00 40.34 N ATOM 402 CA PHE A 26 4.292 9.607 7.767 1.00 44.14 C ATOM 403 C PHE A 26 5.371 8.608 8.167 1.00 23.42 C ATOM 404 O PHE A 26 5.612 8.388 9.351 1.00 0.41 O ATOM 405 CB PHE A 26 2.993 8.871 7.415 1.00 1.53 C ATOM 406 CG PHE A 26 2.390 8.109 8.566 1.00 42.23 C ATOM 407 CD1 PHE A 26 1.519 8.733 9.445 1.00 64.40 C ATOM 408 CD2 PHE A 26 2.695 6.772 8.770 1.00 2.03 C ATOM 409 CE1 PHE A 26 0.965 8.039 10.504 1.00 24.35 C ATOM 410 CE2 PHE A 26 2.144 6.075 9.827 1.00 2.41 C ATOM 411 CZ PHE A 26 1.278 6.708 10.696 1.00 71.12 C ATOM 0 H PHE A 26 4.141 10.342 5.812 1.00 40.34 H new ATOM 0 HA PHE A 26 4.104 10.269 8.613 1.00 44.14 H new ATOM 0 HB2 PHE A 26 2.264 9.595 7.050 1.00 1.53 H new ATOM 0 HB3 PHE A 26 3.190 8.178 6.597 1.00 1.53 H new ATOM 0 HD1 PHE A 26 1.270 9.774 9.301 1.00 64.40 H new ATOM 0 HD2 PHE A 26 3.371 6.270 8.094 1.00 2.03 H new ATOM 0 HE1 PHE A 26 0.287 8.538 11.181 1.00 24.35 H new ATOM 0 HE2 PHE A 26 2.391 5.034 9.974 1.00 2.41 H new ATOM 0 HZ PHE A 26 0.847 6.164 11.523 1.00 71.12 H new ATOM 421 N LEU A 27 6.033 8.026 7.174 1.00 20.44 N ATOM 422 CA LEU A 27 7.088 7.049 7.423 1.00 43.51 C ATOM 423 C LEU A 27 8.250 7.692 8.173 1.00 50.54 C ATOM 424 O LEU A 27 8.898 7.059 9.008 1.00 20.41 O ATOM 425 CB LEU A 27 7.609 6.467 6.107 1.00 63.31 C ATOM 426 CG LEU A 27 6.545 5.939 5.146 1.00 33.20 C ATOM 427 CD1 LEU A 27 7.201 5.302 3.933 1.00 61.12 C ATOM 428 CD2 LEU A 27 5.629 4.943 5.838 1.00 13.11 C ATOM 0 H LEU A 27 5.858 8.214 6.187 1.00 20.44 H new ATOM 0 HA LEU A 27 6.661 6.250 8.029 1.00 43.51 H new ATOM 0 HB2 LEU A 27 8.185 7.237 5.594 1.00 63.31 H new ATOM 0 HB3 LEU A 27 8.298 5.655 6.338 1.00 63.31 H new ATOM 0 HG LEU A 27 5.938 6.782 4.816 1.00 33.20 H new ATOM 0 HD11 LEU A 27 6.431 4.930 3.257 1.00 61.12 H new ATOM 0 HD12 LEU A 27 7.810 6.044 3.417 1.00 61.12 H new ATOM 0 HD13 LEU A 27 7.833 4.474 4.254 1.00 61.12 H new ATOM 0 HD21 LEU A 27 4.882 4.584 5.131 1.00 13.11 H new ATOM 0 HD22 LEU A 27 6.217 4.101 6.204 1.00 13.11 H new ATOM 0 HD23 LEU A 27 5.131 5.429 6.677 1.00 13.11 H new ATOM 440 N GLN A 28 8.490 8.961 7.875 1.00 5.22 N ATOM 441 CA GLN A 28 9.624 9.687 8.423 1.00 61.45 C ATOM 442 C GLN A 28 9.358 10.137 9.857 1.00 41.24 C ATOM 443 O GLN A 28 10.292 10.447 10.598 1.00 33.51 O ATOM 444 CB GLN A 28 9.939 10.900 7.540 1.00 5.22 C ATOM 445 CG GLN A 28 10.307 10.532 6.109 1.00 15.31 C ATOM 446 CD GLN A 28 10.447 11.746 5.208 1.00 44.14 C ATOM 447 OE1 GLN A 28 10.824 12.831 5.656 1.00 63.14 O ATOM 448 NE2 GLN A 28 10.144 11.577 3.930 1.00 10.20 N ATOM 0 H GLN A 28 7.905 9.514 7.248 1.00 5.22 H new ATOM 0 HA GLN A 28 10.482 9.015 8.438 1.00 61.45 H new ATOM 0 HB2 GLN A 28 9.074 11.563 7.525 1.00 5.22 H new ATOM 0 HB3 GLN A 28 10.761 11.460 7.986 1.00 5.22 H new ATOM 0 HG2 GLN A 28 11.245 9.976 6.111 1.00 15.31 H new ATOM 0 HG3 GLN A 28 9.544 9.868 5.701 1.00 15.31 H new ATOM 0 HE21 GLN A 28 9.835 10.664 3.595 1.00 10.20 H new ATOM 0 HE22 GLN A 28 10.219 12.360 3.280 1.00 10.20 H new ATOM 457 N THR A 29 8.092 10.161 10.255 1.00 21.41 N ATOM 458 CA THR A 29 7.737 10.642 11.583 1.00 61.54 C ATOM 459 C THR A 29 7.192 9.524 12.481 1.00 3.00 C ATOM 460 O THR A 29 7.540 9.454 13.660 1.00 4.10 O ATOM 461 CB THR A 29 6.733 11.822 11.512 1.00 10.40 C ATOM 462 OG1 THR A 29 6.420 12.298 12.828 1.00 25.41 O ATOM 463 CG2 THR A 29 5.451 11.432 10.792 1.00 22.14 C ATOM 0 H THR A 29 7.303 9.857 9.685 1.00 21.41 H new ATOM 0 HA THR A 29 8.660 11.005 12.036 1.00 61.54 H new ATOM 0 HB THR A 29 7.213 12.618 10.943 1.00 10.40 H new ATOM 0 HG1 THR A 29 5.652 11.803 13.181 1.00 25.41 H new ATOM 0 HG21 THR A 29 4.775 12.287 10.764 1.00 22.14 H new ATOM 0 HG22 THR A 29 5.686 11.122 9.774 1.00 22.14 H new ATOM 0 HG23 THR A 29 4.973 10.608 11.321 1.00 22.14 H new ATOM 471 N GLU A 30 6.365 8.636 11.930 1.00 64.25 N ATOM 472 CA GLU A 30 5.723 7.592 12.723 1.00 4.03 C ATOM 473 C GLU A 30 6.111 6.209 12.203 1.00 74.24 C ATOM 474 O GLU A 30 5.443 5.651 11.332 1.00 53.42 O ATOM 475 CB GLU A 30 4.198 7.742 12.691 1.00 74.41 C ATOM 476 CG GLU A 30 3.695 9.146 13.002 1.00 73.22 C ATOM 477 CD GLU A 30 4.203 9.682 14.324 1.00 3.33 C ATOM 478 OE1 GLU A 30 3.882 9.094 15.375 1.00 10.25 O ATOM 479 OE2 GLU A 30 4.916 10.706 14.318 1.00 72.40 O ATOM 0 H GLU A 30 6.125 8.620 10.939 1.00 64.25 H new ATOM 0 HA GLU A 30 6.066 7.697 13.752 1.00 4.03 H new ATOM 0 HB2 GLU A 30 3.837 7.451 11.704 1.00 74.41 H new ATOM 0 HB3 GLU A 30 3.762 7.046 13.408 1.00 74.41 H new ATOM 0 HG2 GLU A 30 4.001 9.820 12.202 1.00 73.22 H new ATOM 0 HG3 GLU A 30 2.605 9.140 13.014 1.00 73.22 H new ATOM 486 N PRO A 31 7.212 5.648 12.720 1.00 32.45 N ATOM 487 CA PRO A 31 7.735 4.346 12.281 1.00 0.10 C ATOM 488 C PRO A 31 6.821 3.166 12.616 1.00 55.43 C ATOM 489 O PRO A 31 6.859 2.136 11.945 1.00 23.14 O ATOM 490 CB PRO A 31 9.056 4.219 13.047 1.00 33.04 C ATOM 491 CG PRO A 31 8.894 5.108 14.231 1.00 64.14 C ATOM 492 CD PRO A 31 8.058 6.258 13.756 1.00 74.40 C ATOM 0 HA PRO A 31 7.832 4.313 11.196 1.00 0.10 H new ATOM 0 HB2 PRO A 31 9.241 3.188 13.348 1.00 33.04 H new ATOM 0 HB3 PRO A 31 9.901 4.528 12.432 1.00 33.04 H new ATOM 0 HG2 PRO A 31 8.408 4.582 15.053 1.00 64.14 H new ATOM 0 HG3 PRO A 31 9.861 5.451 14.599 1.00 64.14 H new ATOM 0 HD2 PRO A 31 7.463 6.684 14.563 1.00 74.40 H new ATOM 0 HD3 PRO A 31 8.672 7.063 13.353 1.00 74.40 H new ATOM 500 N VAL A 32 5.997 3.320 13.637 1.00 44.15 N ATOM 501 CA VAL A 32 5.182 2.211 14.125 1.00 3.33 C ATOM 502 C VAL A 32 3.974 1.960 13.221 1.00 44.43 C ATOM 503 O VAL A 32 3.549 0.822 13.047 1.00 53.44 O ATOM 504 CB VAL A 32 4.714 2.440 15.584 1.00 73.34 C ATOM 505 CG1 VAL A 32 3.798 3.646 15.685 1.00 5.34 C ATOM 506 CG2 VAL A 32 4.029 1.198 16.133 1.00 61.23 C ATOM 0 H VAL A 32 5.871 4.195 14.145 1.00 44.15 H new ATOM 0 HA VAL A 32 5.818 1.326 14.105 1.00 3.33 H new ATOM 0 HB VAL A 32 5.598 2.640 16.189 1.00 73.34 H new ATOM 0 HG11 VAL A 32 3.487 3.781 16.721 1.00 5.34 H new ATOM 0 HG12 VAL A 32 4.329 4.536 15.347 1.00 5.34 H new ATOM 0 HG13 VAL A 32 2.919 3.489 15.059 1.00 5.34 H new ATOM 0 HG21 VAL A 32 3.709 1.382 17.159 1.00 61.23 H new ATOM 0 HG22 VAL A 32 3.160 0.960 15.519 1.00 61.23 H new ATOM 0 HG23 VAL A 32 4.726 0.360 16.115 1.00 61.23 H new ATOM 516 N GLY A 33 3.456 3.019 12.607 1.00 2.40 N ATOM 517 CA GLY A 33 2.252 2.892 11.810 1.00 10.22 C ATOM 518 C GLY A 33 2.552 2.695 10.342 1.00 63.41 C ATOM 519 O GLY A 33 1.662 2.806 9.496 1.00 12.22 O ATOM 0 H GLY A 33 3.848 3.960 12.647 1.00 2.40 H new ATOM 0 HA2 GLY A 33 1.665 2.049 12.175 1.00 10.22 H new ATOM 0 HA3 GLY A 33 1.640 3.785 11.936 1.00 10.22 H new ATOM 523 N LYS A 34 3.807 2.391 10.032 1.00 35.13 N ATOM 524 CA LYS A 34 4.218 2.208 8.648 1.00 43.34 C ATOM 525 C LYS A 34 3.560 0.977 8.047 1.00 5.32 C ATOM 526 O LYS A 34 3.423 0.876 6.832 1.00 64.01 O ATOM 527 CB LYS A 34 5.737 2.089 8.531 1.00 30.33 C ATOM 528 CG LYS A 34 6.497 3.325 8.984 1.00 24.12 C ATOM 529 CD LYS A 34 7.969 3.242 8.600 1.00 74.45 C ATOM 530 CE LYS A 34 8.638 1.992 9.158 1.00 74.42 C ATOM 531 NZ LYS A 34 10.054 1.882 8.724 1.00 54.34 N ATOM 0 H LYS A 34 4.553 2.267 10.717 1.00 35.13 H new ATOM 0 HA LYS A 34 3.896 3.090 8.094 1.00 43.34 H new ATOM 0 HB2 LYS A 34 6.070 1.235 9.122 1.00 30.33 H new ATOM 0 HB3 LYS A 34 5.995 1.878 7.493 1.00 30.33 H new ATOM 0 HG2 LYS A 34 6.052 4.213 8.535 1.00 24.12 H new ATOM 0 HG3 LYS A 34 6.407 3.434 10.065 1.00 24.12 H new ATOM 0 HD2 LYS A 34 8.061 3.247 7.514 1.00 74.45 H new ATOM 0 HD3 LYS A 34 8.490 4.126 8.968 1.00 74.45 H new ATOM 0 HE2 LYS A 34 8.592 2.011 10.247 1.00 74.42 H new ATOM 0 HE3 LYS A 34 8.088 1.109 8.831 1.00 74.42 H new ATOM 0 HZ1 LYS A 34 10.474 1.019 9.124 1.00 54.34 H new ATOM 0 HZ2 LYS A 34 10.096 1.838 7.686 1.00 54.34 H new ATOM 0 HZ3 LYS A 34 10.585 2.712 9.058 1.00 54.34 H new ATOM 545 N ASP A 35 3.139 0.052 8.898 1.00 0.23 N ATOM 546 CA ASP A 35 2.487 -1.166 8.434 1.00 64.23 C ATOM 547 C ASP A 35 1.175 -0.820 7.735 1.00 40.25 C ATOM 548 O ASP A 35 0.888 -1.326 6.646 1.00 12.42 O ATOM 549 CB ASP A 35 2.244 -2.138 9.601 1.00 52.32 C ATOM 550 CG ASP A 35 1.151 -1.685 10.554 1.00 51.33 C ATOM 551 OD1 ASP A 35 1.295 -0.607 11.163 1.00 12.12 O ATOM 552 OD2 ASP A 35 0.132 -2.400 10.680 1.00 4.34 O ATOM 0 H ASP A 35 3.237 0.121 9.911 1.00 0.23 H new ATOM 0 HA ASP A 35 3.144 -1.662 7.720 1.00 64.23 H new ATOM 0 HB2 ASP A 35 1.981 -3.116 9.199 1.00 52.32 H new ATOM 0 HB3 ASP A 35 3.172 -2.262 10.159 1.00 52.32 H new ATOM 557 N GLU A 36 0.389 0.058 8.348 1.00 60.30 N ATOM 558 CA GLU A 36 -0.861 0.499 7.749 1.00 24.03 C ATOM 559 C GLU A 36 -0.581 1.466 6.604 1.00 64.50 C ATOM 560 O GLU A 36 -1.278 1.469 5.593 1.00 35.52 O ATOM 561 CB GLU A 36 -1.774 1.141 8.795 1.00 42.25 C ATOM 562 CG GLU A 36 -3.203 1.340 8.308 1.00 3.20 C ATOM 563 CD GLU A 36 -4.149 1.770 9.410 1.00 53.54 C ATOM 564 OE1 GLU A 36 -4.361 0.983 10.359 1.00 61.15 O ATOM 565 OE2 GLU A 36 -4.706 2.883 9.325 1.00 64.24 O ATOM 0 H GLU A 36 0.596 0.476 9.255 1.00 60.30 H new ATOM 0 HA GLU A 36 -1.379 -0.373 7.349 1.00 24.03 H new ATOM 0 HB2 GLU A 36 -1.786 0.517 9.689 1.00 42.25 H new ATOM 0 HB3 GLU A 36 -1.359 2.106 9.086 1.00 42.25 H new ATOM 0 HG2 GLU A 36 -3.210 2.090 7.517 1.00 3.20 H new ATOM 0 HG3 GLU A 36 -3.564 0.410 7.869 1.00 3.20 H new ATOM 572 N ALA A 37 0.457 2.277 6.770 1.00 63.02 N ATOM 573 CA ALA A 37 0.848 3.241 5.749 1.00 33.43 C ATOM 574 C ALA A 37 1.248 2.544 4.448 1.00 41.31 C ATOM 575 O ALA A 37 0.819 2.942 3.366 1.00 32.20 O ATOM 576 CB ALA A 37 1.981 4.113 6.263 1.00 10.00 C ATOM 0 H ALA A 37 1.044 2.286 7.604 1.00 63.02 H new ATOM 0 HA ALA A 37 -0.012 3.873 5.530 1.00 33.43 H new ATOM 0 HB1 ALA A 37 2.266 4.830 5.493 1.00 10.00 H new ATOM 0 HB2 ALA A 37 1.653 4.648 7.154 1.00 10.00 H new ATOM 0 HB3 ALA A 37 2.838 3.487 6.511 1.00 10.00 H new ATOM 582 N TYR A 38 2.063 1.498 4.554 1.00 15.24 N ATOM 583 CA TYR A 38 2.451 0.713 3.386 1.00 52.35 C ATOM 584 C TYR A 38 1.239 0.005 2.787 1.00 21.30 C ATOM 585 O TYR A 38 1.144 -0.158 1.569 1.00 30.53 O ATOM 586 CB TYR A 38 3.534 -0.303 3.741 1.00 12.31 C ATOM 587 CG TYR A 38 4.935 0.268 3.713 1.00 33.24 C ATOM 588 CD1 TYR A 38 5.502 0.696 2.518 1.00 23.45 C ATOM 589 CD2 TYR A 38 5.694 0.377 4.872 1.00 63.13 C ATOM 590 CE1 TYR A 38 6.782 1.214 2.480 1.00 75.41 C ATOM 591 CE2 TYR A 38 6.975 0.894 4.840 1.00 25.44 C ATOM 592 CZ TYR A 38 7.513 1.310 3.641 1.00 32.34 C ATOM 593 OH TYR A 38 8.792 1.816 3.603 1.00 42.15 O ATOM 0 H TYR A 38 2.466 1.175 5.434 1.00 15.24 H new ATOM 0 HA TYR A 38 2.858 1.399 2.643 1.00 52.35 H new ATOM 0 HB2 TYR A 38 3.334 -0.702 4.735 1.00 12.31 H new ATOM 0 HB3 TYR A 38 3.478 -1.139 3.044 1.00 12.31 H new ATOM 0 HD1 TYR A 38 4.932 0.622 1.604 1.00 23.45 H new ATOM 0 HD2 TYR A 38 5.276 0.052 5.813 1.00 63.13 H new ATOM 0 HE1 TYR A 38 7.207 1.542 1.543 1.00 75.41 H new ATOM 0 HE2 TYR A 38 7.552 0.972 5.750 1.00 25.44 H new ATOM 0 HH TYR A 38 9.170 1.817 4.507 1.00 42.15 H new ATOM 603 N TYR A 39 0.313 -0.404 3.647 1.00 54.14 N ATOM 604 CA TYR A 39 -0.946 -0.976 3.194 1.00 71.34 C ATOM 605 C TYR A 39 -1.715 0.050 2.359 1.00 54.03 C ATOM 606 O TYR A 39 -2.239 -0.269 1.290 1.00 11.12 O ATOM 607 CB TYR A 39 -1.788 -1.438 4.393 1.00 73.33 C ATOM 608 CG TYR A 39 -3.168 -1.926 4.019 1.00 64.35 C ATOM 609 CD1 TYR A 39 -3.357 -3.195 3.487 1.00 74.14 C ATOM 610 CD2 TYR A 39 -4.281 -1.112 4.188 1.00 20.21 C ATOM 611 CE1 TYR A 39 -4.615 -3.640 3.130 1.00 72.54 C ATOM 612 CE2 TYR A 39 -5.543 -1.550 3.839 1.00 14.23 C ATOM 613 CZ TYR A 39 -5.706 -2.812 3.310 1.00 0.43 C ATOM 614 OH TYR A 39 -6.962 -3.237 2.942 1.00 64.22 O ATOM 0 H TYR A 39 0.412 -0.349 4.661 1.00 54.14 H new ATOM 0 HA TYR A 39 -0.735 -1.846 2.572 1.00 71.34 H new ATOM 0 HB2 TYR A 39 -1.258 -2.238 4.910 1.00 73.33 H new ATOM 0 HB3 TYR A 39 -1.884 -0.612 5.097 1.00 73.33 H new ATOM 0 HD1 TYR A 39 -2.506 -3.845 3.350 1.00 74.14 H new ATOM 0 HD2 TYR A 39 -4.157 -0.121 4.599 1.00 20.21 H new ATOM 0 HE1 TYR A 39 -4.745 -4.628 2.713 1.00 72.54 H new ATOM 0 HE2 TYR A 39 -6.399 -0.906 3.980 1.00 14.23 H new ATOM 0 HH TYR A 39 -7.616 -2.534 3.138 1.00 64.22 H new ATOM 624 N LEU A 40 -1.760 1.284 2.845 1.00 22.25 N ATOM 625 CA LEU A 40 -2.424 2.370 2.133 1.00 11.51 C ATOM 626 C LEU A 40 -1.736 2.638 0.800 1.00 44.15 C ATOM 627 O LEU A 40 -2.395 2.906 -0.204 1.00 63.03 O ATOM 628 CB LEU A 40 -2.436 3.646 2.981 1.00 33.44 C ATOM 629 CG LEU A 40 -3.177 3.531 4.314 1.00 1.31 C ATOM 630 CD1 LEU A 40 -3.150 4.858 5.061 1.00 54.12 C ATOM 631 CD2 LEU A 40 -4.609 3.074 4.089 1.00 11.01 C ATOM 0 H LEU A 40 -1.342 1.559 3.734 1.00 22.25 H new ATOM 0 HA LEU A 40 -3.454 2.068 1.942 1.00 11.51 H new ATOM 0 HB2 LEU A 40 -1.406 3.941 3.180 1.00 33.44 H new ATOM 0 HB3 LEU A 40 -2.891 4.447 2.398 1.00 33.44 H new ATOM 0 HG LEU A 40 -2.669 2.785 4.925 1.00 1.31 H new ATOM 0 HD11 LEU A 40 -3.683 4.754 6.006 1.00 54.12 H new ATOM 0 HD12 LEU A 40 -2.117 5.145 5.256 1.00 54.12 H new ATOM 0 HD13 LEU A 40 -3.631 5.626 4.456 1.00 54.12 H new ATOM 0 HD21 LEU A 40 -5.121 2.998 5.048 1.00 11.01 H new ATOM 0 HD22 LEU A 40 -5.126 3.796 3.458 1.00 11.01 H new ATOM 0 HD23 LEU A 40 -4.607 2.100 3.600 1.00 11.01 H new ATOM 643 N MET A 41 -0.409 2.553 0.799 1.00 53.34 N ATOM 644 CA MET A 41 0.368 2.710 -0.426 1.00 23.12 C ATOM 645 C MET A 41 -0.056 1.681 -1.463 1.00 52.02 C ATOM 646 O MET A 41 -0.335 2.027 -2.608 1.00 72.50 O ATOM 647 CB MET A 41 1.866 2.572 -0.151 1.00 54.21 C ATOM 648 CG MET A 41 2.481 3.775 0.533 1.00 24.21 C ATOM 649 SD MET A 41 4.257 3.593 0.763 1.00 22.30 S ATOM 650 CE MET A 41 4.683 5.205 1.407 1.00 51.22 C ATOM 0 H MET A 41 0.151 2.376 1.633 1.00 53.34 H new ATOM 0 HA MET A 41 0.175 3.711 -0.813 1.00 23.12 H new ATOM 0 HB2 MET A 41 2.031 1.691 0.469 1.00 54.21 H new ATOM 0 HB3 MET A 41 2.384 2.400 -1.095 1.00 54.21 H new ATOM 0 HG2 MET A 41 2.283 4.668 -0.059 1.00 24.21 H new ATOM 0 HG3 MET A 41 2.004 3.923 1.502 1.00 24.21 H new ATOM 0 HE1 MET A 41 5.762 5.346 1.350 1.00 51.22 H new ATOM 0 HE2 MET A 41 4.185 5.975 0.818 1.00 51.22 H new ATOM 0 HE3 MET A 41 4.362 5.278 2.446 1.00 51.22 H new ATOM 660 N GLY A 42 -0.108 0.417 -1.047 1.00 32.34 N ATOM 661 CA GLY A 42 -0.535 -0.645 -1.941 1.00 41.23 C ATOM 662 C GLY A 42 -1.915 -0.386 -2.517 1.00 12.13 C ATOM 663 O GLY A 42 -2.162 -0.642 -3.695 1.00 22.34 O ATOM 0 H GLY A 42 0.138 0.110 -0.106 1.00 32.34 H new ATOM 0 HA2 GLY A 42 0.184 -0.745 -2.754 1.00 41.23 H new ATOM 0 HA3 GLY A 42 -0.540 -1.592 -1.402 1.00 41.23 H new ATOM 667 N ASN A 43 -2.804 0.144 -1.684 1.00 44.45 N ATOM 668 CA ASN A 43 -4.155 0.498 -2.115 1.00 72.34 C ATOM 669 C ASN A 43 -4.120 1.603 -3.161 1.00 53.12 C ATOM 670 O ASN A 43 -4.843 1.554 -4.154 1.00 73.24 O ATOM 671 CB ASN A 43 -5.004 0.940 -0.920 1.00 44.44 C ATOM 672 CG ASN A 43 -5.617 -0.228 -0.178 1.00 22.25 C ATOM 673 OD1 ASN A 43 -6.748 -0.623 -0.449 1.00 55.53 O ATOM 674 ND2 ASN A 43 -4.878 -0.801 0.754 1.00 33.33 N ATOM 0 H ASN A 43 -2.614 0.339 -0.701 1.00 44.45 H new ATOM 0 HA ASN A 43 -4.606 -0.389 -2.560 1.00 72.34 H new ATOM 0 HB2 ASN A 43 -4.385 1.518 -0.233 1.00 44.44 H new ATOM 0 HB3 ASN A 43 -5.797 1.602 -1.268 1.00 44.44 H new ATOM 0 HD21 ASN A 43 -5.243 -1.598 1.275 1.00 33.33 H new ATOM 0 HD22 ASN A 43 -3.943 -0.446 0.953 1.00 33.33 H new ATOM 681 N ALA A 44 -3.265 2.590 -2.930 1.00 52.23 N ATOM 682 CA ALA A 44 -3.126 3.719 -3.838 1.00 51.33 C ATOM 683 C ALA A 44 -2.570 3.273 -5.188 1.00 1.04 C ATOM 684 O ALA A 44 -3.103 3.628 -6.240 1.00 52.24 O ATOM 685 CB ALA A 44 -2.227 4.779 -3.217 1.00 50.14 C ATOM 0 H ALA A 44 -2.653 2.631 -2.115 1.00 52.23 H new ATOM 0 HA ALA A 44 -4.114 4.146 -4.008 1.00 51.33 H new ATOM 0 HB1 ALA A 44 -2.129 5.620 -3.903 1.00 50.14 H new ATOM 0 HB2 ALA A 44 -2.665 5.124 -2.280 1.00 50.14 H new ATOM 0 HB3 ALA A 44 -1.243 4.353 -3.022 1.00 50.14 H new ATOM 691 N TYR A 45 -1.511 2.476 -5.150 1.00 20.31 N ATOM 692 CA TYR A 45 -0.854 2.019 -6.370 1.00 42.00 C ATOM 693 C TYR A 45 -1.748 1.077 -7.173 1.00 11.02 C ATOM 694 O TYR A 45 -1.785 1.161 -8.401 1.00 63.32 O ATOM 695 CB TYR A 45 0.484 1.343 -6.055 1.00 51.24 C ATOM 696 CG TYR A 45 1.580 2.320 -5.681 1.00 52.42 C ATOM 697 CD1 TYR A 45 2.196 3.101 -6.649 1.00 23.43 C ATOM 698 CD2 TYR A 45 1.993 2.462 -4.364 1.00 12.35 C ATOM 699 CE1 TYR A 45 3.194 3.997 -6.313 1.00 60.35 C ATOM 700 CE2 TYR A 45 2.990 3.355 -4.020 1.00 35.44 C ATOM 701 CZ TYR A 45 3.586 4.120 -4.997 1.00 2.02 C ATOM 702 OH TYR A 45 4.585 5.008 -4.659 1.00 11.32 O ATOM 0 H TYR A 45 -1.087 2.132 -4.288 1.00 20.31 H new ATOM 0 HA TYR A 45 -0.662 2.901 -6.981 1.00 42.00 H new ATOM 0 HB2 TYR A 45 0.342 0.637 -5.236 1.00 51.24 H new ATOM 0 HB3 TYR A 45 0.803 0.765 -6.922 1.00 51.24 H new ATOM 0 HD1 TYR A 45 1.891 3.007 -7.681 1.00 23.43 H new ATOM 0 HD2 TYR A 45 1.527 1.864 -3.594 1.00 12.35 H new ATOM 0 HE1 TYR A 45 3.664 4.598 -7.078 1.00 60.35 H new ATOM 0 HE2 TYR A 45 3.300 3.452 -2.990 1.00 35.44 H new ATOM 0 HH TYR A 45 4.740 4.973 -3.692 1.00 11.32 H new ATOM 712 N ARG A 46 -2.487 0.200 -6.496 1.00 73.31 N ATOM 713 CA ARG A 46 -3.354 -0.742 -7.202 1.00 14.41 C ATOM 714 C ARG A 46 -4.530 -0.017 -7.851 1.00 33.13 C ATOM 715 O ARG A 46 -5.076 -0.481 -8.854 1.00 43.44 O ATOM 716 CB ARG A 46 -3.866 -1.856 -6.279 1.00 73.34 C ATOM 717 CG ARG A 46 -4.835 -1.395 -5.200 1.00 73.13 C ATOM 718 CD ARG A 46 -5.424 -2.579 -4.450 1.00 10.21 C ATOM 719 NE ARG A 46 -6.286 -2.177 -3.334 1.00 63.13 N ATOM 720 CZ ARG A 46 -7.402 -2.821 -2.981 1.00 51.35 C ATOM 721 NH1 ARG A 46 -7.865 -3.817 -3.724 1.00 11.03 N ATOM 722 NH2 ARG A 46 -8.072 -2.446 -1.898 1.00 0.21 N ATOM 0 H ARG A 46 -2.504 0.122 -5.479 1.00 73.31 H new ATOM 0 HA ARG A 46 -2.750 -1.207 -7.981 1.00 14.41 H new ATOM 0 HB2 ARG A 46 -4.356 -2.616 -6.887 1.00 73.34 H new ATOM 0 HB3 ARG A 46 -3.011 -2.334 -5.800 1.00 73.34 H new ATOM 0 HG2 ARG A 46 -4.319 -0.738 -4.500 1.00 73.13 H new ATOM 0 HG3 ARG A 46 -5.637 -0.812 -5.652 1.00 73.13 H new ATOM 0 HD2 ARG A 46 -5.999 -3.192 -5.144 1.00 10.21 H new ATOM 0 HD3 ARG A 46 -4.614 -3.202 -4.070 1.00 10.21 H new ATOM 0 HE ARG A 46 -6.017 -1.355 -2.794 1.00 63.13 H new ATOM 0 HH11 ARG A 46 -7.369 -4.095 -4.570 1.00 11.03 H new ATOM 0 HH12 ARG A 46 -8.718 -4.305 -3.449 1.00 11.03 H new ATOM 0 HH21 ARG A 46 -7.735 -1.665 -1.335 1.00 0.21 H new ATOM 0 HH22 ARG A 46 -8.924 -2.938 -1.629 1.00 0.21 H new ATOM 736 N LYS A 47 -4.922 1.114 -7.273 1.00 44.43 N ATOM 737 CA LYS A 47 -5.967 1.937 -7.841 1.00 55.34 C ATOM 738 C LYS A 47 -5.474 2.627 -9.109 1.00 1.10 C ATOM 739 O LYS A 47 -6.237 2.846 -10.050 1.00 4.43 O ATOM 740 CB LYS A 47 -6.403 2.971 -6.815 1.00 22.41 C ATOM 741 CG LYS A 47 -7.756 3.562 -7.109 1.00 52.31 C ATOM 742 CD LYS A 47 -8.155 4.562 -6.048 1.00 55.35 C ATOM 743 CE LYS A 47 -9.654 4.746 -6.021 1.00 14.44 C ATOM 744 NZ LYS A 47 -10.185 5.175 -7.342 1.00 34.21 N ATOM 0 H LYS A 47 -4.525 1.477 -6.407 1.00 44.43 H new ATOM 0 HA LYS A 47 -6.816 1.307 -8.105 1.00 55.34 H new ATOM 0 HB2 LYS A 47 -6.422 2.509 -5.828 1.00 22.41 H new ATOM 0 HB3 LYS A 47 -5.664 3.771 -6.778 1.00 22.41 H new ATOM 0 HG2 LYS A 47 -7.740 4.049 -8.084 1.00 52.31 H new ATOM 0 HG3 LYS A 47 -8.500 2.767 -7.162 1.00 52.31 H new ATOM 0 HD2 LYS A 47 -7.808 4.222 -5.072 1.00 55.35 H new ATOM 0 HD3 LYS A 47 -7.670 5.519 -6.243 1.00 55.35 H new ATOM 0 HE2 LYS A 47 -10.129 3.811 -5.725 1.00 14.44 H new ATOM 0 HE3 LYS A 47 -9.915 5.488 -5.267 1.00 14.44 H new ATOM 0 HZ1 LYS A 47 -11.177 5.469 -7.238 1.00 34.21 H new ATOM 0 HZ2 LYS A 47 -9.623 5.974 -7.699 1.00 34.21 H new ATOM 0 HZ3 LYS A 47 -10.127 4.383 -8.013 1.00 34.21 H new ATOM 758 N LEU A 48 -4.195 2.981 -9.119 1.00 42.34 N ATOM 759 CA LEU A 48 -3.568 3.543 -10.307 1.00 0.21 C ATOM 760 C LEU A 48 -3.434 2.468 -11.375 1.00 24.10 C ATOM 761 O LEU A 48 -3.831 2.653 -12.525 1.00 51.31 O ATOM 762 CB LEU A 48 -2.177 4.096 -9.983 1.00 73.12 C ATOM 763 CG LEU A 48 -2.127 5.221 -8.952 1.00 73.00 C ATOM 764 CD1 LEU A 48 -0.682 5.596 -8.663 1.00 53.54 C ATOM 765 CD2 LEU A 48 -2.900 6.436 -9.445 1.00 2.12 C ATOM 0 H LEU A 48 -3.572 2.889 -8.317 1.00 42.34 H new ATOM 0 HA LEU A 48 -4.197 4.356 -10.669 1.00 0.21 H new ATOM 0 HB2 LEU A 48 -1.556 3.275 -9.626 1.00 73.12 H new ATOM 0 HB3 LEU A 48 -1.727 4.457 -10.908 1.00 73.12 H new ATOM 0 HG LEU A 48 -2.593 4.870 -8.031 1.00 73.00 H new ATOM 0 HD11 LEU A 48 -0.655 6.399 -7.927 1.00 53.54 H new ATOM 0 HD12 LEU A 48 -0.152 4.727 -8.272 1.00 53.54 H new ATOM 0 HD13 LEU A 48 -0.202 5.931 -9.583 1.00 53.54 H new ATOM 0 HD21 LEU A 48 -2.852 7.226 -8.696 1.00 2.12 H new ATOM 0 HD22 LEU A 48 -2.462 6.793 -10.377 1.00 2.12 H new ATOM 0 HD23 LEU A 48 -3.941 6.160 -9.616 1.00 2.12 H new ATOM 777 N GLY A 49 -2.885 1.336 -10.965 1.00 62.54 N ATOM 778 CA GLY A 49 -2.616 0.258 -11.887 1.00 1.12 C ATOM 779 C GLY A 49 -1.189 -0.230 -11.770 1.00 61.24 C ATOM 780 O GLY A 49 -0.761 -1.104 -12.523 1.00 21.12 O ATOM 0 H GLY A 49 -2.619 1.145 -9.999 1.00 62.54 H new ATOM 0 HA2 GLY A 49 -3.301 -0.567 -11.693 1.00 1.12 H new ATOM 0 HA3 GLY A 49 -2.804 0.595 -12.907 1.00 1.12 H new ATOM 784 N ASP A 50 -0.453 0.339 -10.821 1.00 3.24 N ATOM 785 CA ASP A 50 0.933 -0.047 -10.585 1.00 24.44 C ATOM 786 C ASP A 50 0.977 -1.224 -9.621 1.00 65.20 C ATOM 787 O ASP A 50 0.674 -1.082 -8.436 1.00 13.40 O ATOM 788 CB ASP A 50 1.731 1.130 -10.007 1.00 65.14 C ATOM 789 CG ASP A 50 3.231 0.883 -10.006 1.00 54.42 C ATOM 790 OD1 ASP A 50 3.715 0.046 -9.210 1.00 72.54 O ATOM 791 OD2 ASP A 50 3.937 1.544 -10.795 1.00 21.20 O ATOM 0 H ASP A 50 -0.796 1.072 -10.200 1.00 3.24 H new ATOM 0 HA ASP A 50 1.383 -0.336 -11.535 1.00 24.44 H new ATOM 0 HB2 ASP A 50 1.516 2.028 -10.586 1.00 65.14 H new ATOM 0 HB3 ASP A 50 1.399 1.322 -8.987 1.00 65.14 H new ATOM 796 N TRP A 51 1.337 -2.385 -10.137 1.00 42.34 N ATOM 797 CA TRP A 51 1.351 -3.597 -9.339 1.00 3.21 C ATOM 798 C TRP A 51 2.739 -3.829 -8.757 1.00 13.35 C ATOM 799 O TRP A 51 2.893 -4.500 -7.735 1.00 10.50 O ATOM 800 CB TRP A 51 0.925 -4.797 -10.191 1.00 23.42 C ATOM 801 CG TRP A 51 -0.360 -4.579 -10.936 1.00 60.34 C ATOM 802 CD1 TRP A 51 -0.512 -4.454 -12.288 1.00 35.04 C ATOM 803 CD2 TRP A 51 -1.673 -4.460 -10.371 1.00 0.10 C ATOM 804 NE1 TRP A 51 -1.838 -4.265 -12.599 1.00 64.54 N ATOM 805 CE2 TRP A 51 -2.570 -4.267 -11.440 1.00 23.24 C ATOM 806 CE3 TRP A 51 -2.179 -4.499 -9.068 1.00 74.34 C ATOM 807 CZ2 TRP A 51 -3.940 -4.115 -11.242 1.00 21.43 C ATOM 808 CZ3 TRP A 51 -3.538 -4.350 -8.876 1.00 52.43 C ATOM 809 CH2 TRP A 51 -4.405 -4.161 -9.958 1.00 24.10 C ATOM 0 H TRP A 51 1.624 -2.514 -11.107 1.00 42.34 H new ATOM 0 HA TRP A 51 0.643 -3.483 -8.518 1.00 3.21 H new ATOM 0 HB2 TRP A 51 1.716 -5.023 -10.906 1.00 23.42 H new ATOM 0 HB3 TRP A 51 0.818 -5.670 -9.547 1.00 23.42 H new ATOM 0 HD1 TRP A 51 0.292 -4.497 -13.008 1.00 35.04 H new ATOM 0 HE1 TRP A 51 -2.215 -4.143 -13.539 1.00 64.54 H new ATOM 0 HE3 TRP A 51 -1.518 -4.643 -8.226 1.00 74.34 H new ATOM 0 HZ2 TRP A 51 -4.612 -3.966 -12.074 1.00 21.43 H new ATOM 0 HZ3 TRP A 51 -3.939 -4.380 -7.874 1.00 52.43 H new ATOM 0 HH2 TRP A 51 -5.463 -4.049 -9.774 1.00 24.10 H new ATOM 820 N GLN A 52 3.743 -3.252 -9.405 1.00 5.32 N ATOM 821 CA GLN A 52 5.124 -3.399 -8.968 1.00 35.15 C ATOM 822 C GLN A 52 5.324 -2.826 -7.571 1.00 52.04 C ATOM 823 O GLN A 52 5.776 -3.530 -6.665 1.00 13.41 O ATOM 824 CB GLN A 52 6.077 -2.720 -9.954 1.00 33.34 C ATOM 825 CG GLN A 52 6.775 -3.679 -10.909 1.00 71.21 C ATOM 826 CD GLN A 52 5.819 -4.531 -11.721 1.00 41.22 C ATOM 827 OE1 GLN A 52 5.374 -4.136 -12.798 1.00 72.10 O ATOM 828 NE2 GLN A 52 5.509 -5.714 -11.216 1.00 74.14 N ATOM 0 H GLN A 52 3.625 -2.676 -10.238 1.00 5.32 H new ATOM 0 HA GLN A 52 5.349 -4.465 -8.936 1.00 35.15 H new ATOM 0 HB2 GLN A 52 5.518 -1.988 -10.537 1.00 33.34 H new ATOM 0 HB3 GLN A 52 6.832 -2.171 -9.392 1.00 33.34 H new ATOM 0 HG2 GLN A 52 7.405 -3.106 -11.589 1.00 71.21 H new ATOM 0 HG3 GLN A 52 7.434 -4.332 -10.337 1.00 71.21 H new ATOM 0 HE21 GLN A 52 5.900 -6.004 -10.320 1.00 74.14 H new ATOM 0 HE22 GLN A 52 4.879 -6.336 -11.723 1.00 74.14 H new ATOM 837 N LYS A 53 4.969 -1.563 -7.379 1.00 1.02 N ATOM 838 CA LYS A 53 5.135 -0.941 -6.075 1.00 60.31 C ATOM 839 C LYS A 53 4.058 -1.403 -5.109 1.00 34.43 C ATOM 840 O LYS A 53 4.275 -1.419 -3.898 1.00 5.22 O ATOM 841 CB LYS A 53 5.145 0.584 -6.167 1.00 12.24 C ATOM 842 CG LYS A 53 6.484 1.156 -6.605 1.00 35.04 C ATOM 843 CD LYS A 53 6.634 2.603 -6.167 1.00 22.15 C ATOM 844 CE LYS A 53 8.052 3.108 -6.380 1.00 52.34 C ATOM 845 NZ LYS A 53 8.280 4.423 -5.722 1.00 1.55 N ATOM 0 H LYS A 53 4.571 -0.958 -8.097 1.00 1.02 H new ATOM 0 HA LYS A 53 6.106 -1.257 -5.694 1.00 60.31 H new ATOM 0 HB2 LYS A 53 4.375 0.903 -6.870 1.00 12.24 H new ATOM 0 HB3 LYS A 53 4.881 1.001 -5.195 1.00 12.24 H new ATOM 0 HG2 LYS A 53 7.293 0.560 -6.182 1.00 35.04 H new ATOM 0 HG3 LYS A 53 6.573 1.091 -7.689 1.00 35.04 H new ATOM 0 HD2 LYS A 53 5.937 3.227 -6.726 1.00 22.15 H new ATOM 0 HD3 LYS A 53 6.369 2.694 -5.114 1.00 22.15 H new ATOM 0 HE2 LYS A 53 8.760 2.378 -5.987 1.00 52.34 H new ATOM 0 HE3 LYS A 53 8.248 3.198 -7.448 1.00 52.34 H new ATOM 0 HZ1 LYS A 53 9.259 4.731 -5.892 1.00 1.55 H new ATOM 0 HZ2 LYS A 53 7.623 5.126 -6.115 1.00 1.55 H new ATOM 0 HZ3 LYS A 53 8.118 4.332 -4.699 1.00 1.55 H new ATOM 859 N ALA A 54 2.904 -1.788 -5.640 1.00 25.41 N ATOM 860 CA ALA A 54 1.837 -2.327 -4.809 1.00 30.53 C ATOM 861 C ALA A 54 2.329 -3.551 -4.047 1.00 3.40 C ATOM 862 O ALA A 54 2.197 -3.631 -2.826 1.00 41.11 O ATOM 863 CB ALA A 54 0.624 -2.680 -5.653 1.00 2.43 C ATOM 0 H ALA A 54 2.685 -1.737 -6.635 1.00 25.41 H new ATOM 0 HA ALA A 54 1.541 -1.563 -4.090 1.00 30.53 H new ATOM 0 HB1 ALA A 54 -0.161 -3.081 -5.012 1.00 2.43 H new ATOM 0 HB2 ALA A 54 0.259 -1.785 -6.158 1.00 2.43 H new ATOM 0 HB3 ALA A 54 0.903 -3.427 -6.396 1.00 2.43 H new ATOM 869 N LEU A 55 2.935 -4.485 -4.774 1.00 45.34 N ATOM 870 CA LEU A 55 3.449 -5.711 -4.177 1.00 62.02 C ATOM 871 C LEU A 55 4.623 -5.425 -3.245 1.00 65.02 C ATOM 872 O LEU A 55 4.739 -6.034 -2.181 1.00 64.11 O ATOM 873 CB LEU A 55 3.878 -6.698 -5.264 1.00 4.54 C ATOM 874 CG LEU A 55 2.748 -7.222 -6.151 1.00 23.44 C ATOM 875 CD1 LEU A 55 3.308 -8.110 -7.251 1.00 61.34 C ATOM 876 CD2 LEU A 55 1.726 -7.984 -5.319 1.00 52.13 C ATOM 0 H LEU A 55 3.082 -4.415 -5.781 1.00 45.34 H new ATOM 0 HA LEU A 55 2.645 -6.153 -3.589 1.00 62.02 H new ATOM 0 HB2 LEU A 55 4.622 -6.215 -5.898 1.00 4.54 H new ATOM 0 HB3 LEU A 55 4.368 -7.547 -4.788 1.00 4.54 H new ATOM 0 HG LEU A 55 2.248 -6.371 -6.614 1.00 23.44 H new ATOM 0 HD11 LEU A 55 2.492 -8.476 -7.874 1.00 61.34 H new ATOM 0 HD12 LEU A 55 4.003 -7.536 -7.863 1.00 61.34 H new ATOM 0 HD13 LEU A 55 3.831 -8.956 -6.805 1.00 61.34 H new ATOM 0 HD21 LEU A 55 0.929 -8.350 -5.967 1.00 52.13 H new ATOM 0 HD22 LEU A 55 2.212 -8.828 -4.830 1.00 52.13 H new ATOM 0 HD23 LEU A 55 1.304 -7.321 -4.564 1.00 52.13 H new ATOM 888 N ASN A 56 5.479 -4.483 -3.634 1.00 2.04 N ATOM 889 CA ASN A 56 6.667 -4.165 -2.844 1.00 10.53 C ATOM 890 C ASN A 56 6.282 -3.526 -1.519 1.00 15.11 C ATOM 891 O ASN A 56 6.843 -3.847 -0.468 1.00 21.15 O ATOM 892 CB ASN A 56 7.609 -3.231 -3.614 1.00 34.24 C ATOM 893 CG ASN A 56 8.601 -3.983 -4.483 1.00 71.31 C ATOM 894 OD1 ASN A 56 9.683 -4.353 -4.023 1.00 31.32 O ATOM 895 ND2 ASN A 56 8.250 -4.202 -5.741 1.00 34.55 N ATOM 0 H ASN A 56 5.374 -3.930 -4.485 1.00 2.04 H new ATOM 0 HA ASN A 56 7.188 -5.102 -2.647 1.00 10.53 H new ATOM 0 HB2 ASN A 56 7.018 -2.562 -4.240 1.00 34.24 H new ATOM 0 HB3 ASN A 56 8.154 -2.607 -2.906 1.00 34.24 H new ATOM 0 HD21 ASN A 56 8.885 -4.694 -6.369 1.00 34.55 H new ATOM 0 HD22 ASN A 56 7.344 -3.879 -6.081 1.00 34.55 H new ATOM 902 N ASN A 57 5.311 -2.632 -1.569 1.00 52.22 N ATOM 903 CA ASN A 57 4.870 -1.923 -0.380 1.00 51.04 C ATOM 904 C ASN A 57 3.989 -2.809 0.489 1.00 44.11 C ATOM 905 O ASN A 57 4.016 -2.699 1.714 1.00 41.22 O ATOM 906 CB ASN A 57 4.160 -0.628 -0.770 1.00 11.52 C ATOM 907 CG ASN A 57 5.140 0.391 -1.323 1.00 32.15 C ATOM 908 OD1 ASN A 57 6.291 0.457 -0.890 1.00 71.21 O ATOM 909 ND2 ASN A 57 4.712 1.156 -2.310 1.00 32.25 N ATOM 0 H ASN A 57 4.812 -2.379 -2.422 1.00 52.22 H new ATOM 0 HA ASN A 57 5.745 -1.660 0.214 1.00 51.04 H new ATOM 0 HB2 ASN A 57 3.394 -0.841 -1.515 1.00 11.52 H new ATOM 0 HB3 ASN A 57 3.652 -0.213 0.100 1.00 11.52 H new ATOM 0 HD21 ASN A 57 5.342 1.832 -2.742 1.00 32.25 H new ATOM 0 HD22 ASN A 57 3.751 1.071 -2.641 1.00 32.25 H new ATOM 916 N TYR A 58 3.232 -3.708 -0.132 1.00 72.15 N ATOM 917 CA TYR A 58 2.497 -4.714 0.626 1.00 11.33 C ATOM 918 C TYR A 58 3.473 -5.614 1.367 1.00 14.21 C ATOM 919 O TYR A 58 3.287 -5.902 2.544 1.00 45.41 O ATOM 920 CB TYR A 58 1.588 -5.557 -0.275 1.00 34.42 C ATOM 921 CG TYR A 58 0.257 -4.910 -0.590 1.00 71.12 C ATOM 922 CD1 TYR A 58 -0.399 -4.126 0.352 1.00 70.31 C ATOM 923 CD2 TYR A 58 -0.355 -5.098 -1.823 1.00 44.21 C ATOM 924 CE1 TYR A 58 -1.622 -3.549 0.075 1.00 4.22 C ATOM 925 CE2 TYR A 58 -1.577 -4.521 -2.110 1.00 53.41 C ATOM 926 CZ TYR A 58 -2.207 -3.748 -1.159 1.00 22.22 C ATOM 927 OH TYR A 58 -3.427 -3.176 -1.438 1.00 24.14 O ATOM 0 H TYR A 58 3.112 -3.761 -1.144 1.00 72.15 H new ATOM 0 HA TYR A 58 1.860 -4.193 1.341 1.00 11.33 H new ATOM 0 HB2 TYR A 58 2.110 -5.762 -1.210 1.00 34.42 H new ATOM 0 HB3 TYR A 58 1.408 -6.518 0.207 1.00 34.42 H new ATOM 0 HD1 TYR A 58 0.056 -3.965 1.318 1.00 70.31 H new ATOM 0 HD2 TYR A 58 0.133 -5.706 -2.570 1.00 44.21 H new ATOM 0 HE1 TYR A 58 -2.118 -2.945 0.820 1.00 4.22 H new ATOM 0 HE2 TYR A 58 -2.036 -4.675 -3.075 1.00 53.41 H new ATOM 0 HH TYR A 58 -3.378 -2.703 -2.295 1.00 24.14 H new ATOM 937 N GLN A 59 4.528 -6.038 0.675 1.00 71.11 N ATOM 938 CA GLN A 59 5.575 -6.850 1.288 1.00 21.21 C ATOM 939 C GLN A 59 6.211 -6.102 2.458 1.00 13.34 C ATOM 940 O GLN A 59 6.508 -6.693 3.497 1.00 44.24 O ATOM 941 CB GLN A 59 6.641 -7.218 0.250 1.00 11.40 C ATOM 942 CG GLN A 59 7.824 -7.999 0.812 1.00 31.12 C ATOM 943 CD GLN A 59 7.440 -9.360 1.365 1.00 32.43 C ATOM 944 OE1 GLN A 59 7.416 -10.354 0.639 1.00 43.33 O ATOM 945 NE2 GLN A 59 7.136 -9.417 2.648 1.00 0.40 N ATOM 0 H GLN A 59 4.680 -5.832 -0.312 1.00 71.11 H new ATOM 0 HA GLN A 59 5.125 -7.768 1.665 1.00 21.21 H new ATOM 0 HB2 GLN A 59 6.174 -7.807 -0.539 1.00 11.40 H new ATOM 0 HB3 GLN A 59 7.012 -6.303 -0.212 1.00 11.40 H new ATOM 0 HG2 GLN A 59 8.569 -8.131 0.027 1.00 31.12 H new ATOM 0 HG3 GLN A 59 8.294 -7.413 1.602 1.00 31.12 H new ATOM 0 HE21 GLN A 59 7.167 -8.571 3.218 1.00 0.40 H new ATOM 0 HE22 GLN A 59 6.870 -10.307 3.070 1.00 0.40 H new ATOM 954 N SER A 60 6.398 -4.798 2.285 1.00 11.22 N ATOM 955 CA SER A 60 6.956 -3.959 3.337 1.00 12.20 C ATOM 956 C SER A 60 6.040 -3.959 4.563 1.00 51.00 C ATOM 957 O SER A 60 6.507 -4.018 5.698 1.00 35.54 O ATOM 958 CB SER A 60 7.164 -2.532 2.817 1.00 60.33 C ATOM 959 OG SER A 60 8.025 -2.518 1.685 1.00 61.14 O ATOM 0 H SER A 60 6.171 -4.299 1.425 1.00 11.22 H new ATOM 0 HA SER A 60 7.923 -4.365 3.635 1.00 12.20 H new ATOM 0 HB2 SER A 60 6.202 -2.095 2.551 1.00 60.33 H new ATOM 0 HB3 SER A 60 7.588 -1.912 3.607 1.00 60.33 H new ATOM 0 HG SER A 60 7.589 -2.976 0.936 1.00 61.14 H new ATOM 965 N ALA A 61 4.733 -3.915 4.321 1.00 21.34 N ATOM 966 CA ALA A 61 3.748 -3.963 5.394 1.00 23.15 C ATOM 967 C ALA A 61 3.727 -5.336 6.058 1.00 43.12 C ATOM 968 O ALA A 61 3.611 -5.442 7.277 1.00 12.33 O ATOM 969 CB ALA A 61 2.369 -3.617 4.856 1.00 63.05 C ATOM 0 H ALA A 61 4.331 -3.846 3.386 1.00 21.34 H new ATOM 0 HA ALA A 61 4.030 -3.227 6.147 1.00 23.15 H new ATOM 0 HB1 ALA A 61 1.642 -3.656 5.667 1.00 63.05 H new ATOM 0 HB2 ALA A 61 2.385 -2.613 4.432 1.00 63.05 H new ATOM 0 HB3 ALA A 61 2.090 -4.333 4.083 1.00 63.05 H new ATOM 975 N ILE A 62 3.853 -6.381 5.245 1.00 73.12 N ATOM 976 CA ILE A 62 3.834 -7.759 5.735 1.00 54.03 C ATOM 977 C ILE A 62 5.004 -8.030 6.683 1.00 63.12 C ATOM 978 O ILE A 62 4.875 -8.788 7.648 1.00 71.55 O ATOM 979 CB ILE A 62 3.873 -8.773 4.564 1.00 11.03 C ATOM 980 CG1 ILE A 62 2.639 -8.604 3.673 1.00 32.21 C ATOM 981 CG2 ILE A 62 3.964 -10.206 5.082 1.00 31.41 C ATOM 982 CD1 ILE A 62 2.622 -9.527 2.473 1.00 33.51 C ATOM 0 H ILE A 62 3.970 -6.300 4.235 1.00 73.12 H new ATOM 0 HA ILE A 62 2.900 -7.888 6.283 1.00 54.03 H new ATOM 0 HB ILE A 62 4.765 -8.572 3.971 1.00 11.03 H new ATOM 0 HG12 ILE A 62 1.744 -8.782 4.270 1.00 32.21 H new ATOM 0 HG13 ILE A 62 2.591 -7.572 3.327 1.00 32.21 H new ATOM 0 HG21 ILE A 62 3.990 -10.897 4.239 1.00 31.41 H new ATOM 0 HG22 ILE A 62 4.872 -10.322 5.674 1.00 31.41 H new ATOM 0 HG23 ILE A 62 3.095 -10.424 5.703 1.00 31.41 H new ATOM 0 HD11 ILE A 62 1.718 -9.349 1.890 1.00 33.51 H new ATOM 0 HD12 ILE A 62 3.498 -9.334 1.853 1.00 33.51 H new ATOM 0 HD13 ILE A 62 2.638 -10.563 2.811 1.00 33.51 H new ATOM 994 N GLU A 63 6.143 -7.403 6.414 1.00 12.12 N ATOM 995 CA GLU A 63 7.332 -7.602 7.236 1.00 45.40 C ATOM 996 C GLU A 63 7.287 -6.748 8.500 1.00 41.05 C ATOM 997 O GLU A 63 8.067 -6.958 9.430 1.00 61.22 O ATOM 998 CB GLU A 63 8.599 -7.305 6.434 1.00 51.03 C ATOM 999 CG GLU A 63 8.836 -8.293 5.308 1.00 51.42 C ATOM 1000 CD GLU A 63 10.188 -8.121 4.648 1.00 63.42 C ATOM 1001 OE1 GLU A 63 11.208 -8.491 5.272 1.00 63.42 O ATOM 1002 OE2 GLU A 63 10.242 -7.628 3.506 1.00 12.41 O ATOM 0 H GLU A 63 6.269 -6.755 5.637 1.00 12.12 H new ATOM 0 HA GLU A 63 7.350 -8.648 7.541 1.00 45.40 H new ATOM 0 HB2 GLU A 63 8.532 -6.299 6.019 1.00 51.03 H new ATOM 0 HB3 GLU A 63 9.458 -7.316 7.105 1.00 51.03 H new ATOM 0 HG2 GLU A 63 8.754 -9.307 5.698 1.00 51.42 H new ATOM 0 HG3 GLU A 63 8.054 -8.176 4.558 1.00 51.42 H new ATOM 1009 N LEU A 64 6.378 -5.786 8.532 1.00 12.33 N ATOM 1010 CA LEU A 64 6.195 -4.955 9.713 1.00 35.34 C ATOM 1011 C LEU A 64 5.046 -5.486 10.561 1.00 34.44 C ATOM 1012 O LEU A 64 5.131 -5.540 11.788 1.00 54.34 O ATOM 1013 CB LEU A 64 5.936 -3.500 9.310 1.00 53.32 C ATOM 1014 CG LEU A 64 7.104 -2.808 8.605 1.00 24.11 C ATOM 1015 CD1 LEU A 64 6.729 -1.388 8.219 1.00 42.40 C ATOM 1016 CD2 LEU A 64 8.337 -2.809 9.495 1.00 71.13 C ATOM 0 H LEU A 64 5.756 -5.561 7.755 1.00 12.33 H new ATOM 0 HA LEU A 64 7.109 -4.990 10.306 1.00 35.34 H new ATOM 0 HB2 LEU A 64 5.066 -3.470 8.654 1.00 53.32 H new ATOM 0 HB3 LEU A 64 5.682 -2.931 10.204 1.00 53.32 H new ATOM 0 HG LEU A 64 7.333 -3.362 7.695 1.00 24.11 H new ATOM 0 HD11 LEU A 64 7.572 -0.912 7.719 1.00 42.40 H new ATOM 0 HD12 LEU A 64 5.872 -1.408 7.546 1.00 42.40 H new ATOM 0 HD13 LEU A 64 6.473 -0.823 9.115 1.00 42.40 H new ATOM 0 HD21 LEU A 64 9.159 -2.313 8.979 1.00 71.13 H new ATOM 0 HD22 LEU A 64 8.117 -2.278 10.421 1.00 71.13 H new ATOM 0 HD23 LEU A 64 8.620 -3.837 9.724 1.00 71.13 H new ATOM 1028 N ASN A 65 3.973 -5.881 9.896 1.00 3.10 N ATOM 1029 CA ASN A 65 2.816 -6.458 10.564 1.00 73.31 C ATOM 1030 C ASN A 65 2.479 -7.797 9.916 1.00 52.12 C ATOM 1031 O ASN A 65 1.915 -7.841 8.820 1.00 34.34 O ATOM 1032 CB ASN A 65 1.620 -5.505 10.472 1.00 41.33 C ATOM 1033 CG ASN A 65 0.450 -5.910 11.357 1.00 44.10 C ATOM 1034 OD1 ASN A 65 0.255 -7.088 11.661 1.00 24.43 O ATOM 1035 ND2 ASN A 65 -0.344 -4.929 11.763 1.00 1.42 N ATOM 0 H ASN A 65 3.878 -5.812 8.883 1.00 3.10 H new ATOM 0 HA ASN A 65 3.047 -6.615 11.618 1.00 73.31 H new ATOM 0 HB2 ASN A 65 1.943 -4.501 10.748 1.00 41.33 H new ATOM 0 HB3 ASN A 65 1.282 -5.458 9.437 1.00 41.33 H new ATOM 0 HD21 ASN A 65 -1.152 -5.137 12.350 1.00 1.42 H new ATOM 0 HD22 ASN A 65 -0.147 -3.967 11.489 1.00 1.42 H new ATOM 1042 N PRO A 66 2.827 -8.907 10.582 1.00 43.44 N ATOM 1043 CA PRO A 66 2.669 -10.255 10.023 1.00 4.41 C ATOM 1044 C PRO A 66 1.217 -10.725 9.969 1.00 32.43 C ATOM 1045 O PRO A 66 0.930 -11.811 9.461 1.00 62.31 O ATOM 1046 CB PRO A 66 3.470 -11.127 10.991 1.00 31.01 C ATOM 1047 CG PRO A 66 3.409 -10.396 12.286 1.00 64.12 C ATOM 1048 CD PRO A 66 3.413 -8.934 11.936 1.00 61.31 C ATOM 0 HA PRO A 66 3.007 -10.298 8.988 1.00 4.41 H new ATOM 0 HB2 PRO A 66 3.039 -12.124 11.077 1.00 31.01 H new ATOM 0 HB3 PRO A 66 4.499 -11.253 10.654 1.00 31.01 H new ATOM 0 HG2 PRO A 66 2.510 -10.662 12.842 1.00 64.12 H new ATOM 0 HG3 PRO A 66 4.261 -10.649 12.917 1.00 64.12 H new ATOM 0 HD2 PRO A 66 2.822 -8.350 12.642 1.00 61.31 H new ATOM 0 HD3 PRO A 66 4.422 -8.521 11.946 1.00 61.31 H new ATOM 1056 N ASP A 67 0.309 -9.914 10.494 1.00 51.33 N ATOM 1057 CA ASP A 67 -1.106 -10.267 10.519 1.00 2.53 C ATOM 1058 C ASP A 67 -1.931 -9.165 9.863 1.00 65.05 C ATOM 1059 O ASP A 67 -3.149 -9.100 10.017 1.00 34.22 O ATOM 1060 CB ASP A 67 -1.564 -10.493 11.966 1.00 61.40 C ATOM 1061 CG ASP A 67 -2.827 -11.330 12.060 1.00 51.22 C ATOM 1062 OD1 ASP A 67 -2.720 -12.575 12.007 1.00 73.10 O ATOM 1063 OD2 ASP A 67 -3.925 -10.756 12.210 1.00 42.22 O ATOM 0 H ASP A 67 0.525 -9.007 10.908 1.00 51.33 H new ATOM 0 HA ASP A 67 -1.254 -11.190 9.959 1.00 2.53 H new ATOM 0 HB2 ASP A 67 -0.766 -10.985 12.522 1.00 61.40 H new ATOM 0 HB3 ASP A 67 -1.737 -9.528 12.442 1.00 61.40 H new ATOM 1068 N SER A 68 -1.260 -8.308 9.106 1.00 12.21 N ATOM 1069 CA SER A 68 -1.919 -7.179 8.470 1.00 44.04 C ATOM 1070 C SER A 68 -2.780 -7.644 7.296 1.00 41.30 C ATOM 1071 O SER A 68 -2.513 -8.683 6.689 1.00 21.55 O ATOM 1072 CB SER A 68 -0.875 -6.164 7.992 1.00 22.12 C ATOM 1073 OG SER A 68 0.068 -6.771 7.124 1.00 1.53 O ATOM 0 H SER A 68 -0.260 -8.374 8.918 1.00 12.21 H new ATOM 0 HA SER A 68 -2.570 -6.702 9.202 1.00 44.04 H new ATOM 0 HB2 SER A 68 -1.372 -5.342 7.476 1.00 22.12 H new ATOM 0 HB3 SER A 68 -0.359 -5.736 8.852 1.00 22.12 H new ATOM 0 HG SER A 68 0.763 -7.214 7.654 1.00 1.53 H new ATOM 1079 N PRO A 69 -3.831 -6.878 6.961 1.00 52.21 N ATOM 1080 CA PRO A 69 -4.696 -7.170 5.809 1.00 23.25 C ATOM 1081 C PRO A 69 -3.939 -7.087 4.482 1.00 14.14 C ATOM 1082 O PRO A 69 -4.460 -7.467 3.429 1.00 45.10 O ATOM 1083 CB PRO A 69 -5.775 -6.082 5.878 1.00 73.35 C ATOM 1084 CG PRO A 69 -5.719 -5.567 7.277 1.00 13.02 C ATOM 1085 CD PRO A 69 -4.285 -5.685 7.696 1.00 24.13 C ATOM 0 HA PRO A 69 -5.096 -8.183 5.850 1.00 23.25 H new ATOM 0 HB2 PRO A 69 -5.580 -5.288 5.157 1.00 73.35 H new ATOM 0 HB3 PRO A 69 -6.760 -6.488 5.647 1.00 73.35 H new ATOM 0 HG2 PRO A 69 -6.058 -4.532 7.327 1.00 13.02 H new ATOM 0 HG3 PRO A 69 -6.368 -6.147 7.934 1.00 13.02 H new ATOM 0 HD2 PRO A 69 -3.710 -4.799 7.426 1.00 24.13 H new ATOM 0 HD3 PRO A 69 -4.187 -5.812 8.774 1.00 24.13 H new ATOM 1093 N ALA A 70 -2.700 -6.598 4.546 1.00 40.22 N ATOM 1094 CA ALA A 70 -1.843 -6.488 3.371 1.00 53.13 C ATOM 1095 C ALA A 70 -1.545 -7.864 2.791 1.00 32.04 C ATOM 1096 O ALA A 70 -1.306 -8.004 1.591 1.00 63.22 O ATOM 1097 CB ALA A 70 -0.548 -5.769 3.727 1.00 72.33 C ATOM 0 H ALA A 70 -2.267 -6.270 5.409 1.00 40.22 H new ATOM 0 HA ALA A 70 -2.369 -5.906 2.615 1.00 53.13 H new ATOM 0 HB1 ALA A 70 0.082 -5.694 2.841 1.00 72.33 H new ATOM 0 HB2 ALA A 70 -0.777 -4.769 4.095 1.00 72.33 H new ATOM 0 HB3 ALA A 70 -0.022 -6.329 4.500 1.00 72.33 H new ATOM 1103 N LEU A 71 -1.583 -8.878 3.650 1.00 14.05 N ATOM 1104 CA LEU A 71 -1.367 -10.253 3.224 1.00 43.20 C ATOM 1105 C LEU A 71 -2.454 -10.681 2.250 1.00 53.33 C ATOM 1106 O LEU A 71 -2.171 -11.147 1.143 1.00 32.51 O ATOM 1107 CB LEU A 71 -1.370 -11.200 4.426 1.00 4.21 C ATOM 1108 CG LEU A 71 -0.050 -11.325 5.198 1.00 2.01 C ATOM 1109 CD1 LEU A 71 0.291 -10.030 5.918 1.00 32.31 C ATOM 1110 CD2 LEU A 71 -0.128 -12.477 6.186 1.00 52.43 C ATOM 0 H LEU A 71 -1.762 -8.771 4.648 1.00 14.05 H new ATOM 0 HA LEU A 71 -0.395 -10.303 2.732 1.00 43.20 H new ATOM 0 HB2 LEU A 71 -2.142 -10.869 5.120 1.00 4.21 H new ATOM 0 HB3 LEU A 71 -1.658 -12.192 4.079 1.00 4.21 H new ATOM 0 HG LEU A 71 0.745 -11.528 4.480 1.00 2.01 H new ATOM 0 HD11 LEU A 71 1.231 -10.150 6.456 1.00 32.31 H new ATOM 0 HD12 LEU A 71 0.389 -9.224 5.191 1.00 32.31 H new ATOM 0 HD13 LEU A 71 -0.503 -9.787 6.624 1.00 32.31 H new ATOM 0 HD21 LEU A 71 0.814 -12.556 6.728 1.00 52.43 H new ATOM 0 HD22 LEU A 71 -0.939 -12.297 6.892 1.00 52.43 H new ATOM 0 HD23 LEU A 71 -0.316 -13.406 5.648 1.00 52.43 H new ATOM 1122 N GLN A 72 -3.697 -10.492 2.670 1.00 4.14 N ATOM 1123 CA GLN A 72 -4.850 -10.855 1.858 1.00 42.43 C ATOM 1124 C GLN A 72 -4.861 -10.025 0.583 1.00 43.52 C ATOM 1125 O GLN A 72 -5.115 -10.536 -0.510 1.00 2.24 O ATOM 1126 CB GLN A 72 -6.157 -10.616 2.625 1.00 11.51 C ATOM 1127 CG GLN A 72 -6.367 -11.468 3.877 1.00 10.01 C ATOM 1128 CD GLN A 72 -5.363 -11.185 4.979 1.00 23.40 C ATOM 1129 OE1 GLN A 72 -5.521 -10.236 5.743 1.00 63.23 O ATOM 1130 NE2 GLN A 72 -4.356 -12.033 5.103 1.00 70.20 N ATOM 0 H GLN A 72 -3.934 -10.086 3.575 1.00 4.14 H new ATOM 0 HA GLN A 72 -4.775 -11.915 1.613 1.00 42.43 H new ATOM 0 HB2 GLN A 72 -6.198 -9.566 2.914 1.00 11.51 H new ATOM 0 HB3 GLN A 72 -6.991 -10.793 1.946 1.00 11.51 H new ATOM 0 HG2 GLN A 72 -7.373 -11.295 4.260 1.00 10.01 H new ATOM 0 HG3 GLN A 72 -6.307 -12.522 3.604 1.00 10.01 H new ATOM 0 HE21 GLN A 72 -4.259 -12.809 4.448 1.00 70.20 H new ATOM 0 HE22 GLN A 72 -3.676 -11.911 5.854 1.00 70.20 H new ATOM 1139 N ALA A 73 -4.552 -8.744 0.737 1.00 1.53 N ATOM 1140 CA ALA A 73 -4.549 -7.810 -0.381 1.00 11.41 C ATOM 1141 C ALA A 73 -3.532 -8.226 -1.437 1.00 72.34 C ATOM 1142 O ALA A 73 -3.837 -8.243 -2.630 1.00 1.52 O ATOM 1143 CB ALA A 73 -4.260 -6.402 0.114 1.00 74.45 C ATOM 0 H ALA A 73 -4.298 -8.326 1.632 1.00 1.53 H new ATOM 0 HA ALA A 73 -5.536 -7.824 -0.843 1.00 11.41 H new ATOM 0 HB1 ALA A 73 -4.260 -5.712 -0.730 1.00 74.45 H new ATOM 0 HB2 ALA A 73 -5.028 -6.102 0.828 1.00 74.45 H new ATOM 0 HB3 ALA A 73 -3.285 -6.380 0.600 1.00 74.45 H new ATOM 1149 N ARG A 74 -2.330 -8.575 -0.993 1.00 12.11 N ATOM 1150 CA ARG A 74 -1.281 -9.023 -1.901 1.00 10.32 C ATOM 1151 C ARG A 74 -1.719 -10.268 -2.665 1.00 20.35 C ATOM 1152 O ARG A 74 -1.505 -10.372 -3.872 1.00 23.11 O ATOM 1153 CB ARG A 74 0.007 -9.328 -1.136 1.00 55.24 C ATOM 1154 CG ARG A 74 1.092 -9.924 -2.017 1.00 34.21 C ATOM 1155 CD ARG A 74 2.296 -10.361 -1.208 1.00 24.24 C ATOM 1156 NE ARG A 74 3.321 -10.976 -2.049 1.00 32.32 N ATOM 1157 CZ ARG A 74 4.597 -11.079 -1.697 1.00 64.32 C ATOM 1158 NH1 ARG A 74 4.988 -10.651 -0.504 1.00 32.35 N ATOM 1159 NH2 ARG A 74 5.479 -11.616 -2.531 1.00 34.12 N ATOM 0 H ARG A 74 -2.058 -8.556 -0.010 1.00 12.11 H new ATOM 0 HA ARG A 74 -1.094 -8.216 -2.610 1.00 10.32 H new ATOM 0 HB2 ARG A 74 0.379 -8.410 -0.681 1.00 55.24 H new ATOM 0 HB3 ARG A 74 -0.214 -10.020 -0.323 1.00 55.24 H new ATOM 0 HG2 ARG A 74 0.690 -10.779 -2.561 1.00 34.21 H new ATOM 0 HG3 ARG A 74 1.401 -9.189 -2.761 1.00 34.21 H new ATOM 0 HD2 ARG A 74 2.719 -9.499 -0.691 1.00 24.24 H new ATOM 0 HD3 ARG A 74 1.981 -11.069 -0.442 1.00 24.24 H new ATOM 0 HE ARG A 74 3.040 -11.347 -2.957 1.00 32.32 H new ATOM 0 HH11 ARG A 74 4.309 -10.244 0.140 1.00 32.35 H new ATOM 0 HH12 ARG A 74 5.967 -10.729 -0.230 1.00 32.35 H new ATOM 0 HH21 ARG A 74 5.177 -11.951 -3.446 1.00 34.12 H new ATOM 0 HH22 ARG A 74 6.458 -11.693 -2.257 1.00 34.12 H new ATOM 1173 N LYS A 75 -2.334 -11.206 -1.953 1.00 22.53 N ATOM 1174 CA LYS A 75 -2.763 -12.467 -2.548 1.00 73.15 C ATOM 1175 C LYS A 75 -3.755 -12.231 -3.677 1.00 31.21 C ATOM 1176 O LYS A 75 -3.657 -12.852 -4.733 1.00 3.31 O ATOM 1177 CB LYS A 75 -3.376 -13.383 -1.487 1.00 3.51 C ATOM 1178 CG LYS A 75 -2.363 -13.868 -0.463 1.00 21.34 C ATOM 1179 CD LYS A 75 -1.294 -14.735 -1.109 1.00 52.13 C ATOM 1180 CE LYS A 75 -0.177 -15.053 -0.133 1.00 71.05 C ATOM 1181 NZ LYS A 75 0.775 -16.056 -0.685 1.00 21.42 N ATOM 0 H LYS A 75 -2.547 -11.116 -0.960 1.00 22.53 H new ATOM 0 HA LYS A 75 -1.882 -12.955 -2.965 1.00 73.15 H new ATOM 0 HB2 LYS A 75 -4.176 -12.850 -0.974 1.00 3.51 H new ATOM 0 HB3 LYS A 75 -3.830 -14.244 -1.977 1.00 3.51 H new ATOM 0 HG2 LYS A 75 -1.895 -13.011 0.022 1.00 21.34 H new ATOM 0 HG3 LYS A 75 -2.873 -14.436 0.315 1.00 21.34 H new ATOM 0 HD2 LYS A 75 -1.742 -15.662 -1.467 1.00 52.13 H new ATOM 0 HD3 LYS A 75 -0.884 -14.222 -1.979 1.00 52.13 H new ATOM 0 HE2 LYS A 75 0.362 -14.138 0.112 1.00 71.05 H new ATOM 0 HE3 LYS A 75 -0.604 -15.431 0.796 1.00 71.05 H new ATOM 0 HZ1 LYS A 75 1.523 -16.246 0.013 1.00 21.42 H new ATOM 0 HZ2 LYS A 75 0.266 -16.938 -0.896 1.00 21.42 H new ATOM 0 HZ3 LYS A 75 1.202 -15.686 -1.558 1.00 21.42 H new ATOM 1195 N MET A 76 -4.692 -11.318 -3.461 1.00 63.33 N ATOM 1196 CA MET A 76 -5.691 -11.009 -4.477 1.00 10.41 C ATOM 1197 C MET A 76 -5.025 -10.332 -5.680 1.00 50.03 C ATOM 1198 O MET A 76 -5.410 -10.570 -6.824 1.00 2.42 O ATOM 1199 CB MET A 76 -6.825 -10.144 -3.888 1.00 41.21 C ATOM 1200 CG MET A 76 -6.648 -8.641 -4.055 1.00 72.25 C ATOM 1201 SD MET A 76 -7.180 -8.066 -5.678 1.00 74.22 S ATOM 1202 CE MET A 76 -6.514 -6.409 -5.687 1.00 52.40 C ATOM 0 H MET A 76 -4.782 -10.781 -2.598 1.00 63.33 H new ATOM 0 HA MET A 76 -6.144 -11.939 -4.822 1.00 10.41 H new ATOM 0 HB2 MET A 76 -7.765 -10.437 -4.356 1.00 41.21 H new ATOM 0 HB3 MET A 76 -6.916 -10.367 -2.825 1.00 41.21 H new ATOM 0 HG2 MET A 76 -7.217 -8.122 -3.284 1.00 72.25 H new ATOM 0 HG3 MET A 76 -5.600 -8.382 -3.906 1.00 72.25 H new ATOM 0 HE1 MET A 76 -7.326 -5.691 -5.803 1.00 52.40 H new ATOM 0 HE2 MET A 76 -5.995 -6.220 -4.747 1.00 52.40 H new ATOM 0 HE3 MET A 76 -5.814 -6.303 -6.516 1.00 52.40 H new ATOM 1212 N VAL A 77 -4.006 -9.514 -5.415 1.00 30.12 N ATOM 1213 CA VAL A 77 -3.257 -8.852 -6.482 1.00 15.31 C ATOM 1214 C VAL A 77 -2.496 -9.876 -7.317 1.00 61.20 C ATOM 1215 O VAL A 77 -2.528 -9.840 -8.548 1.00 35.34 O ATOM 1216 CB VAL A 77 -2.258 -7.813 -5.922 1.00 51.10 C ATOM 1217 CG1 VAL A 77 -1.408 -7.222 -7.036 1.00 61.44 C ATOM 1218 CG2 VAL A 77 -2.989 -6.711 -5.175 1.00 35.14 C ATOM 0 H VAL A 77 -3.681 -9.295 -4.473 1.00 30.12 H new ATOM 0 HA VAL A 77 -3.984 -8.333 -7.107 1.00 15.31 H new ATOM 0 HB VAL A 77 -1.598 -8.326 -5.222 1.00 51.10 H new ATOM 0 HG11 VAL A 77 -0.713 -6.494 -6.617 1.00 61.44 H new ATOM 0 HG12 VAL A 77 -0.847 -8.017 -7.527 1.00 61.44 H new ATOM 0 HG13 VAL A 77 -2.053 -6.730 -7.764 1.00 61.44 H new ATOM 0 HG21 VAL A 77 -2.267 -5.991 -4.790 1.00 35.14 H new ATOM 0 HG22 VAL A 77 -3.677 -6.207 -5.853 1.00 35.14 H new ATOM 0 HG23 VAL A 77 -3.548 -7.143 -4.345 1.00 35.14 H new ATOM 1228 N MET A 78 -1.828 -10.795 -6.636 1.00 63.42 N ATOM 1229 CA MET A 78 -1.057 -11.831 -7.306 1.00 70.15 C ATOM 1230 C MET A 78 -1.989 -12.784 -8.049 1.00 0.40 C ATOM 1231 O MET A 78 -1.653 -13.285 -9.121 1.00 30.54 O ATOM 1232 CB MET A 78 -0.190 -12.584 -6.293 1.00 11.20 C ATOM 1233 CG MET A 78 0.855 -11.697 -5.631 1.00 33.44 C ATOM 1234 SD MET A 78 1.852 -12.558 -4.399 1.00 62.43 S ATOM 1235 CE MET A 78 2.655 -13.796 -5.413 1.00 50.41 C ATOM 0 H MET A 78 -1.804 -10.844 -5.617 1.00 63.42 H new ATOM 0 HA MET A 78 -0.396 -11.366 -8.037 1.00 70.15 H new ATOM 0 HB2 MET A 78 -0.831 -13.017 -5.525 1.00 11.20 H new ATOM 0 HB3 MET A 78 0.310 -13.412 -6.795 1.00 11.20 H new ATOM 0 HG2 MET A 78 1.513 -11.289 -6.398 1.00 33.44 H new ATOM 0 HG3 MET A 78 0.355 -10.852 -5.157 1.00 33.44 H new ATOM 0 HE1 MET A 78 3.513 -14.204 -4.878 1.00 50.41 H new ATOM 0 HE2 MET A 78 1.951 -14.598 -5.634 1.00 50.41 H new ATOM 0 HE3 MET A 78 2.991 -13.341 -6.345 1.00 50.41 H new ATOM 1245 N ASP A 79 -3.171 -13.007 -7.481 1.00 0.10 N ATOM 1246 CA ASP A 79 -4.204 -13.810 -8.129 1.00 44.13 C ATOM 1247 C ASP A 79 -4.601 -13.168 -9.457 1.00 50.15 C ATOM 1248 O ASP A 79 -4.693 -13.839 -10.490 1.00 41.21 O ATOM 1249 CB ASP A 79 -5.431 -13.928 -7.216 1.00 34.24 C ATOM 1250 CG ASP A 79 -6.437 -14.954 -7.698 1.00 74.33 C ATOM 1251 OD1 ASP A 79 -7.121 -14.708 -8.714 1.00 70.13 O ATOM 1252 OD2 ASP A 79 -6.557 -16.019 -7.052 1.00 30.51 O ATOM 0 H ASP A 79 -3.438 -12.640 -6.568 1.00 0.10 H new ATOM 0 HA ASP A 79 -3.810 -14.809 -8.319 1.00 44.13 H new ATOM 0 HB2 ASP A 79 -5.104 -14.194 -6.211 1.00 34.24 H new ATOM 0 HB3 ASP A 79 -5.919 -12.956 -7.146 1.00 34.24 H new ATOM 1257 N ILE A 80 -4.817 -11.858 -9.416 1.00 64.13 N ATOM 1258 CA ILE A 80 -5.166 -11.090 -10.605 1.00 72.25 C ATOM 1259 C ILE A 80 -4.023 -11.092 -11.619 1.00 52.02 C ATOM 1260 O ILE A 80 -4.244 -11.325 -12.808 1.00 54.21 O ATOM 1261 CB ILE A 80 -5.541 -9.635 -10.238 1.00 1.24 C ATOM 1262 CG1 ILE A 80 -6.867 -9.604 -9.481 1.00 12.44 C ATOM 1263 CG2 ILE A 80 -5.620 -8.762 -11.477 1.00 22.10 C ATOM 1264 CD1 ILE A 80 -7.318 -8.208 -9.106 1.00 11.14 C ATOM 0 H ILE A 80 -4.756 -11.302 -8.563 1.00 64.13 H new ATOM 0 HA ILE A 80 -6.033 -11.570 -11.058 1.00 72.25 H new ATOM 0 HB ILE A 80 -4.758 -9.236 -9.593 1.00 1.24 H new ATOM 0 HG12 ILE A 80 -7.637 -10.073 -10.094 1.00 12.44 H new ATOM 0 HG13 ILE A 80 -6.773 -10.202 -8.575 1.00 12.44 H new ATOM 0 HG21 ILE A 80 -5.885 -7.745 -11.189 1.00 22.10 H new ATOM 0 HG22 ILE A 80 -4.653 -8.756 -11.980 1.00 22.10 H new ATOM 0 HG23 ILE A 80 -6.378 -9.157 -12.153 1.00 22.10 H new ATOM 0 HD11 ILE A 80 -8.266 -8.263 -8.571 1.00 11.14 H new ATOM 0 HD12 ILE A 80 -6.568 -7.743 -8.467 1.00 11.14 H new ATOM 0 HD13 ILE A 80 -7.445 -7.612 -10.010 1.00 11.14 H new ATOM 1276 N LEU A 81 -2.807 -10.844 -11.144 1.00 60.14 N ATOM 1277 CA LEU A 81 -1.631 -10.838 -12.014 1.00 50.12 C ATOM 1278 C LEU A 81 -1.420 -12.198 -12.674 1.00 65.43 C ATOM 1279 O LEU A 81 -1.009 -12.278 -13.835 1.00 3.54 O ATOM 1280 CB LEU A 81 -0.381 -10.436 -11.230 1.00 13.15 C ATOM 1281 CG LEU A 81 -0.334 -8.969 -10.808 1.00 42.21 C ATOM 1282 CD1 LEU A 81 0.924 -8.683 -10.005 1.00 3.11 C ATOM 1283 CD2 LEU A 81 -0.402 -8.071 -12.032 1.00 63.11 C ATOM 0 H LEU A 81 -2.608 -10.645 -10.164 1.00 60.14 H new ATOM 0 HA LEU A 81 -1.807 -10.103 -12.799 1.00 50.12 H new ATOM 0 HB2 LEU A 81 -0.313 -11.058 -10.338 1.00 13.15 H new ATOM 0 HB3 LEU A 81 0.497 -10.653 -11.838 1.00 13.15 H new ATOM 0 HG LEU A 81 -1.196 -8.761 -10.174 1.00 42.21 H new ATOM 0 HD11 LEU A 81 0.939 -7.633 -9.714 1.00 3.11 H new ATOM 0 HD12 LEU A 81 0.935 -9.307 -9.112 1.00 3.11 H new ATOM 0 HD13 LEU A 81 1.802 -8.903 -10.613 1.00 3.11 H new ATOM 0 HD21 LEU A 81 -0.368 -7.027 -11.720 1.00 63.11 H new ATOM 0 HD22 LEU A 81 0.444 -8.282 -12.686 1.00 63.11 H new ATOM 0 HD23 LEU A 81 -1.331 -8.259 -12.570 1.00 63.11 H new ATOM 1295 N ASN A 82 -1.699 -13.261 -11.930 1.00 13.22 N ATOM 1296 CA ASN A 82 -1.623 -14.619 -12.460 1.00 40.32 C ATOM 1297 C ASN A 82 -2.593 -14.783 -13.629 1.00 12.13 C ATOM 1298 O ASN A 82 -2.269 -15.399 -14.648 1.00 21.21 O ATOM 1299 CB ASN A 82 -1.949 -15.629 -11.353 1.00 31.21 C ATOM 1300 CG ASN A 82 -1.876 -17.071 -11.820 1.00 13.01 C ATOM 1301 OD1 ASN A 82 -1.099 -17.416 -12.713 1.00 21.14 O ATOM 1302 ND2 ASN A 82 -2.679 -17.926 -11.207 1.00 55.35 N ATOM 0 H ASN A 82 -1.982 -13.209 -10.951 1.00 13.22 H new ATOM 0 HA ASN A 82 -0.611 -14.804 -12.820 1.00 40.32 H new ATOM 0 HB2 ASN A 82 -1.255 -15.487 -10.524 1.00 31.21 H new ATOM 0 HB3 ASN A 82 -2.949 -15.428 -10.970 1.00 31.21 H new ATOM 0 HD21 ASN A 82 -2.670 -18.912 -11.469 1.00 55.35 H new ATOM 0 HD22 ASN A 82 -3.307 -17.599 -10.473 1.00 55.35 H new ATOM 1309 N PHE A 83 -3.776 -14.204 -13.478 1.00 61.21 N ATOM 1310 CA PHE A 83 -4.795 -14.259 -14.516 1.00 72.43 C ATOM 1311 C PHE A 83 -4.401 -13.380 -15.700 1.00 72.43 C ATOM 1312 O PHE A 83 -4.651 -13.732 -16.852 1.00 63.01 O ATOM 1313 CB PHE A 83 -6.146 -13.808 -13.949 1.00 12.33 C ATOM 1314 CG PHE A 83 -7.277 -13.873 -14.939 1.00 64.52 C ATOM 1315 CD1 PHE A 83 -7.901 -15.077 -15.214 1.00 61.42 C ATOM 1316 CD2 PHE A 83 -7.722 -12.729 -15.585 1.00 50.23 C ATOM 1317 CE1 PHE A 83 -8.946 -15.143 -16.118 1.00 25.42 C ATOM 1318 CE2 PHE A 83 -8.765 -12.787 -16.490 1.00 42.25 C ATOM 1319 CZ PHE A 83 -9.378 -13.996 -16.757 1.00 23.03 C ATOM 0 H PHE A 83 -4.054 -13.689 -12.643 1.00 61.21 H new ATOM 0 HA PHE A 83 -4.882 -15.288 -14.864 1.00 72.43 H new ATOM 0 HB2 PHE A 83 -6.393 -14.430 -13.089 1.00 12.33 H new ATOM 0 HB3 PHE A 83 -6.053 -12.784 -13.586 1.00 12.33 H new ATOM 0 HD1 PHE A 83 -7.568 -15.976 -14.717 1.00 61.42 H new ATOM 0 HD2 PHE A 83 -7.248 -11.781 -15.378 1.00 50.23 H new ATOM 0 HE1 PHE A 83 -9.424 -16.089 -16.324 1.00 25.42 H new ATOM 0 HE2 PHE A 83 -9.100 -11.889 -16.988 1.00 42.25 H new ATOM 0 HZ PHE A 83 -10.193 -14.045 -17.464 1.00 23.03 H new ATOM 1329 N TYR A 84 -3.786 -12.238 -15.408 1.00 44.11 N ATOM 1330 CA TYR A 84 -3.365 -11.304 -16.447 1.00 22.14 C ATOM 1331 C TYR A 84 -2.321 -11.922 -17.373 1.00 2.21 C ATOM 1332 O TYR A 84 -2.612 -12.227 -18.529 1.00 74.12 O ATOM 1333 CB TYR A 84 -2.805 -10.013 -15.837 1.00 11.42 C ATOM 1334 CG TYR A 84 -3.855 -9.036 -15.350 1.00 22.23 C ATOM 1335 CD1 TYR A 84 -5.204 -9.236 -15.615 1.00 31.23 C ATOM 1336 CD2 TYR A 84 -3.488 -7.902 -14.633 1.00 55.14 C ATOM 1337 CE1 TYR A 84 -6.157 -8.336 -15.179 1.00 22.33 C ATOM 1338 CE2 TYR A 84 -4.435 -6.999 -14.194 1.00 31.00 C ATOM 1339 CZ TYR A 84 -5.768 -7.220 -14.470 1.00 43.45 C ATOM 1340 OH TYR A 84 -6.715 -6.328 -14.027 1.00 13.25 O ATOM 0 H TYR A 84 -3.568 -11.937 -14.458 1.00 44.11 H new ATOM 0 HA TYR A 84 -4.252 -11.067 -17.034 1.00 22.14 H new ATOM 0 HB2 TYR A 84 -2.156 -10.274 -15.001 1.00 11.42 H new ATOM 0 HB3 TYR A 84 -2.183 -9.516 -16.581 1.00 11.42 H new ATOM 0 HD1 TYR A 84 -5.513 -10.109 -16.171 1.00 31.23 H new ATOM 0 HD2 TYR A 84 -2.445 -7.725 -14.416 1.00 55.14 H new ATOM 0 HE1 TYR A 84 -7.202 -8.506 -15.393 1.00 22.33 H new ATOM 0 HE2 TYR A 84 -4.134 -6.124 -13.637 1.00 31.00 H new ATOM 0 HH TYR A 84 -6.276 -5.598 -13.543 1.00 13.25 H new ATOM 1350 N ASN A 85 -1.110 -12.115 -16.867 1.00 64.42 N ATOM 1351 CA ASN A 85 -0.015 -12.581 -17.707 1.00 12.24 C ATOM 1352 C ASN A 85 0.999 -13.413 -16.928 1.00 0.40 C ATOM 1353 O ASN A 85 1.584 -12.961 -15.940 1.00 70.35 O ATOM 1354 CB ASN A 85 0.687 -11.394 -18.394 1.00 20.40 C ATOM 1355 CG ASN A 85 1.239 -10.348 -17.428 1.00 24.45 C ATOM 1356 OD1 ASN A 85 0.699 -10.116 -16.346 1.00 43.34 O ATOM 1357 ND2 ASN A 85 2.320 -9.693 -17.824 1.00 32.45 N ATOM 0 H ASN A 85 -0.863 -11.958 -15.890 1.00 64.42 H new ATOM 0 HA ASN A 85 -0.452 -13.227 -18.468 1.00 12.24 H new ATOM 0 HB2 ASN A 85 1.505 -11.775 -19.006 1.00 20.40 H new ATOM 0 HB3 ASN A 85 -0.019 -10.911 -19.070 1.00 20.40 H new ATOM 0 HD21 ASN A 85 2.728 -8.974 -17.227 1.00 32.45 H new ATOM 0 HD22 ASN A 85 2.745 -9.908 -18.726 1.00 32.45 H new ATOM 1364 N LYS A 86 1.199 -14.645 -17.378 1.00 52.32 N ATOM 1365 CA LYS A 86 2.246 -15.498 -16.838 1.00 51.12 C ATOM 1366 C LYS A 86 3.589 -15.094 -17.447 1.00 71.32 C ATOM 1367 O LYS A 86 4.146 -15.783 -18.304 1.00 63.11 O ATOM 1368 CB LYS A 86 1.932 -16.976 -17.112 1.00 5.40 C ATOM 1369 CG LYS A 86 2.999 -17.953 -16.628 1.00 1.54 C ATOM 1370 CD LYS A 86 3.061 -18.041 -15.111 1.00 52.33 C ATOM 1371 CE LYS A 86 1.807 -18.680 -14.535 1.00 2.14 C ATOM 1372 NZ LYS A 86 1.962 -18.996 -13.092 1.00 65.05 N ATOM 0 H LYS A 86 0.646 -15.076 -18.119 1.00 52.32 H new ATOM 0 HA LYS A 86 2.298 -15.371 -15.757 1.00 51.12 H new ATOM 0 HB2 LYS A 86 0.985 -17.227 -16.634 1.00 5.40 H new ATOM 0 HB3 LYS A 86 1.794 -17.112 -18.185 1.00 5.40 H new ATOM 0 HG2 LYS A 86 2.795 -18.942 -17.038 1.00 1.54 H new ATOM 0 HG3 LYS A 86 3.971 -17.644 -17.011 1.00 1.54 H new ATOM 0 HD2 LYS A 86 3.935 -18.622 -14.815 1.00 52.33 H new ATOM 0 HD3 LYS A 86 3.186 -17.042 -14.693 1.00 52.33 H new ATOM 0 HE2 LYS A 86 0.961 -18.007 -14.671 1.00 2.14 H new ATOM 0 HE3 LYS A 86 1.579 -19.593 -15.085 1.00 2.14 H new ATOM 0 HZ1 LYS A 86 1.568 -19.939 -12.899 1.00 65.05 H new ATOM 0 HZ2 LYS A 86 2.971 -18.985 -12.841 1.00 65.05 H new ATOM 0 HZ3 LYS A 86 1.456 -18.286 -12.525 1.00 65.05 H new ATOM 1386 N ASP A 87 4.060 -13.929 -17.038 1.00 13.31 N ATOM 1387 CA ASP A 87 5.327 -13.388 -17.513 1.00 21.40 C ATOM 1388 C ASP A 87 6.190 -12.971 -16.333 1.00 74.42 C ATOM 1389 O ASP A 87 7.148 -13.654 -15.979 1.00 25.40 O ATOM 1390 CB ASP A 87 5.077 -12.192 -18.441 1.00 14.32 C ATOM 1391 CG ASP A 87 6.339 -11.416 -18.762 1.00 11.30 C ATOM 1392 OD1 ASP A 87 7.156 -11.904 -19.565 1.00 2.32 O ATOM 1393 OD2 ASP A 87 6.511 -10.305 -18.214 1.00 62.01 O ATOM 0 H ASP A 87 3.578 -13.330 -16.368 1.00 13.31 H new ATOM 0 HA ASP A 87 5.852 -14.160 -18.075 1.00 21.40 H new ATOM 0 HB2 ASP A 87 4.630 -12.547 -19.369 1.00 14.32 H new ATOM 0 HB3 ASP A 87 4.354 -11.522 -17.975 1.00 14.32 H new ATOM 1398 N MET A 88 5.827 -11.861 -15.704 1.00 20.20 N ATOM 1399 CA MET A 88 6.524 -11.409 -14.516 1.00 50.25 C ATOM 1400 C MET A 88 6.044 -12.203 -13.309 1.00 0.21 C ATOM 1401 O MET A 88 6.727 -12.278 -12.285 1.00 14.45 O ATOM 1402 CB MET A 88 6.315 -9.915 -14.289 1.00 3.40 C ATOM 1403 CG MET A 88 4.891 -9.556 -13.940 1.00 15.33 C ATOM 1404 SD MET A 88 4.700 -7.832 -13.489 1.00 31.25 S ATOM 1405 CE MET A 88 3.007 -7.888 -12.948 1.00 14.35 C ATOM 0 H MET A 88 5.056 -11.261 -15.998 1.00 20.20 H new ATOM 0 HA MET A 88 7.592 -11.576 -14.656 1.00 50.25 H new ATOM 0 HB2 MET A 88 6.973 -9.581 -13.487 1.00 3.40 H new ATOM 0 HB3 MET A 88 6.609 -9.374 -15.188 1.00 3.40 H new ATOM 0 HG2 MET A 88 4.246 -9.778 -14.790 1.00 15.33 H new ATOM 0 HG3 MET A 88 4.555 -10.182 -13.114 1.00 15.33 H new ATOM 0 HE1 MET A 88 2.372 -7.400 -13.688 1.00 14.35 H new ATOM 0 HE2 MET A 88 2.696 -8.926 -12.832 1.00 14.35 H new ATOM 0 HE3 MET A 88 2.913 -7.372 -11.993 1.00 14.35 H new ATOM 1415 N TYR A 89 4.856 -12.797 -13.435 1.00 61.24 N ATOM 1416 CA TYR A 89 4.344 -13.669 -12.410 1.00 62.02 C ATOM 1417 C TYR A 89 5.124 -14.973 -12.410 1.00 72.24 C ATOM 1418 O TYR A 89 4.774 -15.927 -13.103 1.00 0.34 O ATOM 1419 CB TYR A 89 2.864 -13.943 -12.607 1.00 32.51 C ATOM 1420 CG TYR A 89 2.248 -14.578 -11.396 1.00 0.04 C ATOM 1421 CD1 TYR A 89 1.865 -13.798 -10.326 1.00 13.31 C ATOM 1422 CD2 TYR A 89 2.067 -15.944 -11.320 1.00 4.53 C ATOM 1423 CE1 TYR A 89 1.307 -14.360 -9.197 1.00 73.23 C ATOM 1424 CE2 TYR A 89 1.508 -16.525 -10.197 1.00 43.33 C ATOM 1425 CZ TYR A 89 1.128 -15.726 -9.138 1.00 2.24 C ATOM 1426 OH TYR A 89 0.568 -16.293 -8.014 1.00 15.13 O ATOM 0 H TYR A 89 4.241 -12.682 -14.241 1.00 61.24 H new ATOM 0 HA TYR A 89 4.465 -13.173 -11.447 1.00 62.02 H new ATOM 0 HB2 TYR A 89 2.348 -13.009 -12.829 1.00 32.51 H new ATOM 0 HB3 TYR A 89 2.727 -14.596 -13.469 1.00 32.51 H new ATOM 0 HD1 TYR A 89 2.004 -12.728 -10.373 1.00 13.31 H new ATOM 0 HD2 TYR A 89 2.366 -16.568 -12.149 1.00 4.53 H new ATOM 0 HE1 TYR A 89 1.013 -13.736 -8.366 1.00 73.23 H new ATOM 0 HE2 TYR A 89 1.370 -17.595 -10.149 1.00 43.33 H new ATOM 0 HH TYR A 89 0.510 -17.264 -8.132 1.00 15.13 H new ATOM 1436 N ASN A 90 6.185 -14.956 -11.633 1.00 12.13 N ATOM 1437 CA ASN A 90 7.155 -16.043 -11.515 1.00 40.22 C ATOM 1438 C ASN A 90 8.337 -15.500 -10.739 1.00 14.13 C ATOM 1439 O ASN A 90 8.706 -16.001 -9.678 1.00 43.51 O ATOM 1440 CB ASN A 90 7.655 -16.544 -12.881 1.00 32.41 C ATOM 1441 CG ASN A 90 6.960 -17.808 -13.347 1.00 54.02 C ATOM 1442 OD1 ASN A 90 6.485 -18.609 -12.541 1.00 42.43 O ATOM 1443 ND2 ASN A 90 6.918 -18.008 -14.655 1.00 61.34 N ATOM 0 H ASN A 90 6.412 -14.158 -11.040 1.00 12.13 H new ATOM 0 HA ASN A 90 6.675 -16.887 -11.019 1.00 40.22 H new ATOM 0 HB2 ASN A 90 7.506 -15.761 -13.624 1.00 32.41 H new ATOM 0 HB3 ASN A 90 8.728 -16.728 -12.822 1.00 32.41 H new ATOM 0 HD21 ASN A 90 6.480 -18.850 -15.028 1.00 61.34 H new ATOM 0 HD22 ASN A 90 7.323 -17.320 -15.289 1.00 61.34 H new ATOM 1450 N GLN A 91 8.888 -14.419 -11.279 1.00 63.15 N ATOM 1451 CA GLN A 91 9.969 -13.684 -10.642 1.00 44.45 C ATOM 1452 C GLN A 91 9.470 -13.067 -9.343 1.00 43.25 C ATOM 1453 O GLN A 91 10.187 -13.015 -8.345 1.00 41.44 O ATOM 1454 CB GLN A 91 10.469 -12.588 -11.584 1.00 31.22 C ATOM 1455 CG GLN A 91 11.637 -11.783 -11.043 1.00 23.22 C ATOM 1456 CD GLN A 91 12.019 -10.648 -11.968 1.00 70.31 C ATOM 1457 OE1 GLN A 91 11.522 -9.529 -11.839 1.00 45.41 O ATOM 1458 NE2 GLN A 91 12.898 -10.932 -12.912 1.00 41.13 N ATOM 0 H GLN A 91 8.595 -14.028 -12.174 1.00 63.15 H new ATOM 0 HA GLN A 91 10.791 -14.365 -10.420 1.00 44.45 H new ATOM 0 HB2 GLN A 91 10.764 -13.044 -12.529 1.00 31.22 H new ATOM 0 HB3 GLN A 91 9.645 -11.909 -11.802 1.00 31.22 H new ATOM 0 HG2 GLN A 91 11.378 -11.381 -10.064 1.00 23.22 H new ATOM 0 HG3 GLN A 91 12.495 -12.440 -10.901 1.00 23.22 H new ATOM 0 HE21 GLN A 91 13.285 -11.873 -12.982 1.00 41.13 H new ATOM 0 HE22 GLN A 91 13.190 -10.210 -13.571 1.00 41.13 H new ATOM 1467 N LEU A 92 8.214 -12.623 -9.371 1.00 20.32 N ATOM 1468 CA LEU A 92 7.569 -12.042 -8.199 1.00 21.44 C ATOM 1469 C LEU A 92 7.442 -13.064 -7.070 1.00 2.24 C ATOM 1470 O LEU A 92 7.246 -12.698 -5.910 1.00 0.21 O ATOM 1471 CB LEU A 92 6.183 -11.512 -8.576 1.00 12.25 C ATOM 1472 CG LEU A 92 6.171 -10.450 -9.678 1.00 13.01 C ATOM 1473 CD1 LEU A 92 4.744 -10.079 -10.041 1.00 54.23 C ATOM 1474 CD2 LEU A 92 6.952 -9.216 -9.249 1.00 12.31 C ATOM 0 H LEU A 92 7.621 -12.656 -10.200 1.00 20.32 H new ATOM 0 HA LEU A 92 8.191 -11.220 -7.845 1.00 21.44 H new ATOM 0 HB2 LEU A 92 5.565 -12.351 -8.895 1.00 12.25 H new ATOM 0 HB3 LEU A 92 5.716 -11.093 -7.684 1.00 12.25 H new ATOM 0 HG LEU A 92 6.656 -10.868 -10.560 1.00 13.01 H new ATOM 0 HD11 LEU A 92 4.753 -9.323 -10.826 1.00 54.23 H new ATOM 0 HD12 LEU A 92 4.217 -10.965 -10.396 1.00 54.23 H new ATOM 0 HD13 LEU A 92 4.236 -9.683 -9.162 1.00 54.23 H new ATOM 0 HD21 LEU A 92 6.930 -8.475 -10.048 1.00 12.31 H new ATOM 0 HD22 LEU A 92 6.501 -8.794 -8.351 1.00 12.31 H new ATOM 0 HD23 LEU A 92 7.985 -9.494 -9.041 1.00 12.31 H new ATOM 1486 N GLU A 93 7.551 -14.342 -7.415 1.00 25.35 N ATOM 1487 CA GLU A 93 7.476 -15.413 -6.429 1.00 22.42 C ATOM 1488 C GLU A 93 8.873 -15.916 -6.074 1.00 62.42 C ATOM 1489 O GLU A 93 9.102 -16.411 -4.969 1.00 24.30 O ATOM 1490 CB GLU A 93 6.634 -16.571 -6.962 1.00 74.41 C ATOM 1491 CG GLU A 93 5.217 -16.179 -7.342 1.00 71.13 C ATOM 1492 CD GLU A 93 4.430 -17.346 -7.899 1.00 0.43 C ATOM 1493 OE1 GLU A 93 4.594 -17.656 -9.094 1.00 13.12 O ATOM 1494 OE2 GLU A 93 3.655 -17.964 -7.139 1.00 11.32 O ATOM 0 H GLU A 93 7.692 -14.662 -8.373 1.00 25.35 H new ATOM 0 HA GLU A 93 7.005 -15.013 -5.531 1.00 22.42 H new ATOM 0 HB2 GLU A 93 7.129 -16.995 -7.835 1.00 74.41 H new ATOM 0 HB3 GLU A 93 6.593 -17.355 -6.206 1.00 74.41 H new ATOM 0 HG2 GLU A 93 4.704 -15.783 -6.466 1.00 71.13 H new ATOM 0 HG3 GLU A 93 5.249 -15.379 -8.081 1.00 71.13 H new ATOM 1501 N HIS A 94 9.800 -15.789 -7.016 1.00 43.11 N ATOM 1502 CA HIS A 94 11.170 -16.245 -6.813 1.00 14.22 C ATOM 1503 C HIS A 94 11.919 -15.307 -5.870 1.00 70.50 C ATOM 1504 O HIS A 94 12.499 -14.308 -6.298 1.00 53.14 O ATOM 1505 CB HIS A 94 11.912 -16.344 -8.151 1.00 35.20 C ATOM 1506 CG HIS A 94 13.286 -16.944 -8.035 1.00 5.23 C ATOM 1507 ND1 HIS A 94 14.445 -16.191 -8.012 1.00 13.34 N ATOM 1508 CD2 HIS A 94 13.681 -18.235 -7.935 1.00 51.43 C ATOM 1509 CE1 HIS A 94 15.485 -16.994 -7.902 1.00 4.21 C ATOM 1510 NE2 HIS A 94 15.050 -18.235 -7.852 1.00 54.14 N ATOM 0 H HIS A 94 9.627 -15.373 -7.931 1.00 43.11 H new ATOM 0 HA HIS A 94 11.130 -17.236 -6.360 1.00 14.22 H new ATOM 0 HB2 HIS A 94 11.320 -16.944 -8.842 1.00 35.20 H new ATOM 0 HB3 HIS A 94 11.995 -15.348 -8.585 1.00 35.20 H new ATOM 0 HD2 HIS A 94 13.038 -19.103 -7.923 1.00 51.43 H new ATOM 0 HE1 HIS A 94 16.519 -16.685 -7.860 1.00 4.21 H new ATOM 0 HE2 HIS A 94 15.637 -19.064 -7.765 1.00 54.14 H new ATOM 1519 N HIS A 95 11.865 -15.620 -4.585 1.00 61.21 N ATOM 1520 CA HIS A 95 12.587 -14.867 -3.570 1.00 24.20 C ATOM 1521 C HIS A 95 13.183 -15.839 -2.564 1.00 11.35 C ATOM 1522 O HIS A 95 13.134 -17.051 -2.776 1.00 74.20 O ATOM 1523 CB HIS A 95 11.673 -13.862 -2.856 1.00 63.40 C ATOM 1524 CG HIS A 95 11.117 -12.795 -3.752 1.00 2.12 C ATOM 1525 ND1 HIS A 95 11.882 -11.779 -4.283 1.00 31.11 N ATOM 1526 CD2 HIS A 95 9.860 -12.593 -4.212 1.00 50.01 C ATOM 1527 CE1 HIS A 95 11.121 -11.000 -5.030 1.00 15.34 C ATOM 1528 NE2 HIS A 95 9.889 -11.471 -5.003 1.00 55.32 N ATOM 0 H HIS A 95 11.321 -16.400 -4.216 1.00 61.21 H new ATOM 0 HA HIS A 95 13.380 -14.299 -4.057 1.00 24.20 H new ATOM 0 HB2 HIS A 95 10.846 -14.403 -2.396 1.00 63.40 H new ATOM 0 HB3 HIS A 95 12.232 -13.389 -2.049 1.00 63.40 H new ATOM 0 HD2 HIS A 95 8.994 -13.202 -3.997 1.00 50.01 H new ATOM 0 HE1 HIS A 95 11.451 -10.126 -5.571 1.00 15.34 H new ATOM 0 HE2 HIS A 95 9.089 -11.068 -5.490 1.00 55.32 H new ATOM 1537 N HIS A 96 13.735 -15.313 -1.474 1.00 1.23 N ATOM 1538 CA HIS A 96 14.376 -16.150 -0.462 1.00 3.14 C ATOM 1539 C HIS A 96 13.414 -17.197 0.098 1.00 35.53 C ATOM 1540 O HIS A 96 12.293 -16.881 0.492 1.00 74.32 O ATOM 1541 CB HIS A 96 14.950 -15.294 0.688 1.00 11.15 C ATOM 1542 CG HIS A 96 13.930 -14.552 1.515 1.00 73.20 C ATOM 1543 ND1 HIS A 96 13.614 -13.225 1.309 1.00 33.04 N ATOM 1544 CD2 HIS A 96 13.175 -14.953 2.571 1.00 12.44 C ATOM 1545 CE1 HIS A 96 12.711 -12.845 2.197 1.00 52.02 C ATOM 1546 NE2 HIS A 96 12.429 -13.872 2.973 1.00 54.31 N ATOM 0 H HIS A 96 13.752 -14.314 -1.268 1.00 1.23 H new ATOM 0 HA HIS A 96 15.197 -16.671 -0.955 1.00 3.14 H new ATOM 0 HB2 HIS A 96 15.526 -15.943 1.348 1.00 11.15 H new ATOM 0 HB3 HIS A 96 15.647 -14.570 0.266 1.00 11.15 H new ATOM 0 HD2 HIS A 96 13.164 -15.939 3.012 1.00 12.44 H new ATOM 0 HE1 HIS A 96 12.277 -11.859 2.273 1.00 52.02 H new ATOM 0 HE2 HIS A 96 11.764 -13.865 3.747 1.00 54.31 H new ATOM 1555 N HIS A 97 13.853 -18.445 0.101 1.00 33.45 N ATOM 1556 CA HIS A 97 13.141 -19.499 0.806 1.00 22.10 C ATOM 1557 C HIS A 97 13.825 -19.722 2.144 1.00 21.52 C ATOM 1558 O HIS A 97 15.002 -20.077 2.194 1.00 1.42 O ATOM 1559 CB HIS A 97 13.103 -20.797 -0.009 1.00 74.15 C ATOM 1560 CG HIS A 97 12.220 -20.721 -1.220 1.00 65.13 C ATOM 1561 ND1 HIS A 97 10.855 -20.896 -1.170 1.00 13.35 N ATOM 1562 CD2 HIS A 97 12.517 -20.495 -2.523 1.00 15.44 C ATOM 1563 CE1 HIS A 97 10.351 -20.783 -2.384 1.00 22.14 C ATOM 1564 NE2 HIS A 97 11.337 -20.539 -3.224 1.00 30.44 N ATOM 0 H HIS A 97 14.700 -18.753 -0.377 1.00 33.45 H new ATOM 0 HA HIS A 97 12.106 -19.195 0.959 1.00 22.10 H new ATOM 0 HB2 HIS A 97 14.116 -21.048 -0.324 1.00 74.15 H new ATOM 0 HB3 HIS A 97 12.758 -21.608 0.632 1.00 74.15 H new ATOM 0 HD2 HIS A 97 13.499 -20.314 -2.934 1.00 15.44 H new ATOM 0 HE1 HIS A 97 9.307 -20.875 -2.645 1.00 22.14 H new ATOM 0 HE2 HIS A 97 11.239 -20.405 -4.230 1.00 30.44 H new ATOM 1573 N HIS A 98 13.098 -19.487 3.220 1.00 50.40 N ATOM 1574 CA HIS A 98 13.698 -19.438 4.543 1.00 54.13 C ATOM 1575 C HIS A 98 13.006 -20.397 5.508 1.00 72.43 C ATOM 1576 O HIS A 98 11.780 -20.425 5.604 1.00 15.03 O ATOM 1577 CB HIS A 98 13.631 -18.001 5.072 1.00 13.41 C ATOM 1578 CG HIS A 98 14.306 -17.797 6.393 1.00 21.43 C ATOM 1579 ND1 HIS A 98 13.645 -17.326 7.504 1.00 32.02 N ATOM 1580 CD2 HIS A 98 15.593 -17.981 6.773 1.00 43.13 C ATOM 1581 CE1 HIS A 98 14.494 -17.225 8.508 1.00 44.52 C ATOM 1582 NE2 HIS A 98 15.683 -17.619 8.092 1.00 32.53 N ATOM 0 H HIS A 98 12.091 -19.327 3.206 1.00 50.40 H new ATOM 0 HA HIS A 98 14.739 -19.753 4.466 1.00 54.13 H new ATOM 0 HB2 HIS A 98 14.086 -17.335 4.339 1.00 13.41 H new ATOM 0 HB3 HIS A 98 12.585 -17.708 5.163 1.00 13.41 H new ATOM 0 HD2 HIS A 98 16.398 -18.345 6.152 1.00 43.13 H new ATOM 0 HE1 HIS A 98 14.256 -16.878 9.503 1.00 44.52 H new ATOM 0 HE2 HIS A 98 16.530 -17.649 8.659 1.00 32.53 H new ATOM 1591 N HIS A 99 13.809 -21.186 6.212 1.00 71.15 N ATOM 1592 CA HIS A 99 13.299 -22.098 7.230 1.00 42.14 C ATOM 1593 C HIS A 99 12.802 -21.322 8.448 1.00 35.31 C ATOM 1594 O HIS A 99 13.336 -20.257 8.771 1.00 21.33 O ATOM 1595 CB HIS A 99 14.383 -23.093 7.662 1.00 14.04 C ATOM 1596 CG HIS A 99 14.667 -24.175 6.662 1.00 15.12 C ATOM 1597 ND1 HIS A 99 14.500 -25.511 6.945 1.00 74.22 N ATOM 1598 CD2 HIS A 99 15.127 -24.119 5.389 1.00 50.05 C ATOM 1599 CE1 HIS A 99 14.840 -26.230 5.895 1.00 25.14 C ATOM 1600 NE2 HIS A 99 15.226 -25.413 4.938 1.00 74.20 N ATOM 0 H HIS A 99 14.822 -21.213 6.096 1.00 71.15 H new ATOM 0 HA HIS A 99 12.466 -22.650 6.795 1.00 42.14 H new ATOM 0 HB2 HIS A 99 15.305 -22.545 7.857 1.00 14.04 H new ATOM 0 HB3 HIS A 99 14.081 -23.554 8.602 1.00 14.04 H new ATOM 0 HD2 HIS A 99 15.370 -23.225 4.833 1.00 50.05 H new ATOM 0 HE1 HIS A 99 14.808 -27.308 5.830 1.00 25.14 H new ATOM 0 HE2 HIS A 99 15.547 -25.695 4.012 1.00 74.20 H new TER 1609 HIS A 99