USER MOD reduce.3.24.130724 H: found=0, std=0, add=834, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 834 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 29 TYR OH : rot -17:sc= 0.0778 USER MOD Set 1.2: A 70 SER OG : rot 86:sc= 0.987 USER MOD Set 2.1: A 20 GLN : amide:sc= -1.61! K(o=-4.8!,f=-3.5) USER MOD Set 2.2: A 24 MET CE :methyl -177:sc= -3.2 (180deg=-2.92) USER MOD Single : A 1 ALA N :NH3+ 170:sc= -0.0754 (180deg=-0.162) USER MOD Single : A 4 ASN : amide:sc= -0.0568 K(o=-0.057,f=-4.5!) USER MOD Single : A 7 LYS NZ :NH3+ -124:sc= 0.0163 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 TYR OH : rot 12:sc= 0.436 USER MOD Single : A 13 LYS NZ :NH3+ -133:sc= -1.08 (180deg=-3.53!) USER MOD Single : A 14 LYS NZ :NH3+ 168:sc= -0.0111 (180deg=-0.148) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 30 ASN : amide:sc= -0.715 K(o=-0.71,f=-0.13) USER MOD Single : A 35 LYS NZ :NH3+ -142:sc= 0.981 (180deg=0.361) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0.13) USER MOD Single : A 37 LYS NZ :NH3+ -170:sc= -0.0181 (180deg=-0.15) USER MOD Single : A 38 MET CE :methyl 170:sc= -0.058 (180deg=-0.252) USER MOD Single : A 40 LYS NZ :NH3+ -140:sc= 0.644 (180deg=-0.189) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ -167:sc= -0.0701 (180deg=-0.261) USER MOD Single : A 59 HIS : no HE2:sc= 0.104 K(o=0.1,f=-1.3) USER MOD Single : A 61 THR OG1 : rot -29:sc= -0.315 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ -176:sc= 0.524 (180deg=0.501) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.00184 USER MOD Single : A 85 LYS NZ :NH3+ -154:sc= 1.19 (180deg=0.891) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 MET CE :methyl -125:sc= -4.02 (180deg=-5.86!) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ -156:sc= 0.817 (180deg=0.122) USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 102 GLN : amide:sc= -0.0077 X(o=-0.0077,f=-0.24) USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 ASN : amide:sc= -0.0281 X(o=-0.028,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -14.278 -14.908 -2.346 1.00 2.35 N ATOM 2 CA ALA A 1 -14.451 -14.867 -0.867 1.00 64.52 C ATOM 3 C ALA A 1 -14.046 -13.492 -0.296 1.00 71.14 C ATOM 4 O ALA A 1 -13.799 -13.358 0.912 1.00 73.21 O ATOM 5 CB ALA A 1 -13.648 -16.011 -0.216 1.00 73.25 C ATOM 0 H1 ALA A 1 -14.393 -15.885 -2.682 1.00 2.35 H new ATOM 0 H2 ALA A 1 -14.992 -14.301 -2.796 1.00 2.35 H new ATOM 0 H3 ALA A 1 -13.327 -14.567 -2.594 1.00 2.35 H new ATOM 0 HA ALA A 1 -15.506 -15.010 -0.632 1.00 64.52 H new ATOM 0 HB1 ALA A 1 -13.778 -15.977 0.866 1.00 73.25 H new ATOM 0 HB2 ALA A 1 -14.006 -16.968 -0.594 1.00 73.25 H new ATOM 0 HB3 ALA A 1 -12.591 -15.898 -0.458 1.00 73.25 H new ATOM 13 N ASP A 2 -14.019 -12.463 -1.168 1.00 60.24 N ATOM 14 CA ASP A 2 -13.652 -11.094 -0.785 1.00 72.51 C ATOM 15 C ASP A 2 -14.816 -10.458 0.006 1.00 65.23 C ATOM 16 O ASP A 2 -15.738 -9.887 -0.578 1.00 23.01 O ATOM 17 CB ASP A 2 -13.302 -10.252 -2.046 1.00 53.12 C ATOM 18 CG ASP A 2 -12.151 -10.848 -2.883 1.00 11.45 C ATOM 19 OD1 ASP A 2 -12.419 -11.701 -3.761 1.00 30.14 O ATOM 20 OD2 ASP A 2 -10.982 -10.456 -2.686 1.00 41.31 O ATOM 0 H ASP A 2 -14.252 -12.563 -2.156 1.00 60.24 H new ATOM 0 HA ASP A 2 -12.767 -11.117 -0.150 1.00 72.51 H new ATOM 0 HB2 ASP A 2 -14.189 -10.165 -2.673 1.00 53.12 H new ATOM 0 HB3 ASP A 2 -13.031 -9.243 -1.736 1.00 53.12 H new ATOM 25 N GLU A 3 -14.789 -10.643 1.333 1.00 13.04 N ATOM 26 CA GLU A 3 -15.807 -10.114 2.260 1.00 23.33 C ATOM 27 C GLU A 3 -15.370 -8.750 2.797 1.00 3.30 C ATOM 28 O GLU A 3 -15.974 -7.718 2.473 1.00 32.12 O ATOM 29 CB GLU A 3 -16.036 -11.118 3.428 1.00 43.33 C ATOM 30 CG GLU A 3 -16.688 -12.439 2.997 1.00 45.33 C ATOM 31 CD GLU A 3 -18.112 -12.238 2.450 1.00 41.41 C ATOM 32 OE1 GLU A 3 -19.038 -12.026 3.259 1.00 53.11 O ATOM 33 OE2 GLU A 3 -18.306 -12.263 1.214 1.00 25.45 O ATOM 0 H GLU A 3 -14.052 -11.170 1.801 1.00 13.04 H new ATOM 0 HA GLU A 3 -16.747 -9.987 1.724 1.00 23.33 H new ATOM 0 HB2 GLU A 3 -15.078 -11.335 3.900 1.00 43.33 H new ATOM 0 HB3 GLU A 3 -16.664 -10.644 4.183 1.00 43.33 H new ATOM 0 HG2 GLU A 3 -16.072 -12.913 2.233 1.00 45.33 H new ATOM 0 HG3 GLU A 3 -16.721 -13.120 3.848 1.00 45.33 H new ATOM 40 N ASN A 4 -14.283 -8.772 3.586 1.00 45.23 N ATOM 41 CA ASN A 4 -13.699 -7.579 4.222 1.00 72.41 C ATOM 42 C ASN A 4 -13.263 -6.576 3.140 1.00 32.15 C ATOM 43 O ASN A 4 -13.516 -5.379 3.238 1.00 43.30 O ATOM 44 CB ASN A 4 -12.482 -7.981 5.104 1.00 31.20 C ATOM 45 CG ASN A 4 -12.774 -9.074 6.146 1.00 3.55 C ATOM 46 OD1 ASN A 4 -13.627 -9.943 5.956 1.00 55.12 O ATOM 47 ND2 ASN A 4 -12.059 -9.039 7.257 1.00 42.33 N ATOM 0 H ASN A 4 -13.778 -9.631 3.803 1.00 45.23 H new ATOM 0 HA ASN A 4 -14.450 -7.112 4.860 1.00 72.41 H new ATOM 0 HB2 ASN A 4 -11.677 -8.324 4.454 1.00 31.20 H new ATOM 0 HB3 ASN A 4 -12.117 -7.094 5.621 1.00 31.20 H new ATOM 0 HD21 ASN A 4 -12.207 -9.742 7.981 1.00 42.33 H new ATOM 0 HD22 ASN A 4 -11.359 -8.309 7.390 1.00 42.33 H new ATOM 54 N ILE A 5 -12.658 -7.135 2.089 1.00 72.33 N ATOM 55 CA ILE A 5 -12.184 -6.416 0.903 1.00 43.11 C ATOM 56 C ILE A 5 -13.334 -5.678 0.194 1.00 51.24 C ATOM 57 O ILE A 5 -13.229 -4.474 -0.052 1.00 73.33 O ATOM 58 CB ILE A 5 -11.473 -7.445 -0.051 1.00 21.05 C ATOM 59 CG1 ILE A 5 -10.147 -7.928 0.616 1.00 13.05 C ATOM 60 CG2 ILE A 5 -11.244 -6.885 -1.476 1.00 5.11 C ATOM 61 CD1 ILE A 5 -9.517 -9.155 0.000 1.00 33.44 C ATOM 0 H ILE A 5 -12.478 -8.138 2.038 1.00 72.33 H new ATOM 0 HA ILE A 5 -11.470 -5.648 1.201 1.00 43.11 H new ATOM 0 HB ILE A 5 -12.134 -8.301 -0.188 1.00 21.05 H new ATOM 0 HG12 ILE A 5 -9.424 -7.113 0.579 1.00 13.05 H new ATOM 0 HG13 ILE A 5 -10.344 -8.132 1.669 1.00 13.05 H new ATOM 0 HG21 ILE A 5 -10.750 -7.639 -2.088 1.00 5.11 H new ATOM 0 HG22 ILE A 5 -12.203 -6.625 -1.923 1.00 5.11 H new ATOM 0 HG23 ILE A 5 -10.617 -5.995 -1.421 1.00 5.11 H new ATOM 0 HD11 ILE A 5 -8.603 -9.404 0.539 1.00 33.44 H new ATOM 0 HD12 ILE A 5 -10.213 -9.991 0.061 1.00 33.44 H new ATOM 0 HD13 ILE A 5 -9.280 -8.956 -1.045 1.00 33.44 H new ATOM 73 N ALA A 6 -14.439 -6.401 -0.089 1.00 64.33 N ATOM 74 CA ALA A 6 -15.634 -5.817 -0.737 1.00 72.52 C ATOM 75 C ALA A 6 -16.292 -4.739 0.142 1.00 32.52 C ATOM 76 O ALA A 6 -16.904 -3.794 -0.367 1.00 61.34 O ATOM 77 CB ALA A 6 -16.648 -6.912 -1.085 1.00 31.13 C ATOM 0 H ALA A 6 -14.528 -7.395 0.122 1.00 64.33 H new ATOM 0 HA ALA A 6 -15.303 -5.336 -1.657 1.00 72.52 H new ATOM 0 HB1 ALA A 6 -17.520 -6.463 -1.561 1.00 31.13 H new ATOM 0 HB2 ALA A 6 -16.191 -7.628 -1.768 1.00 31.13 H new ATOM 0 HB3 ALA A 6 -16.956 -7.425 -0.174 1.00 31.13 H new ATOM 83 N LYS A 7 -16.160 -4.917 1.464 1.00 14.13 N ATOM 84 CA LYS A 7 -16.662 -3.979 2.472 1.00 42.42 C ATOM 85 C LYS A 7 -15.839 -2.668 2.435 1.00 25.34 C ATOM 86 O LYS A 7 -16.393 -1.573 2.587 1.00 13.11 O ATOM 87 CB LYS A 7 -16.624 -4.688 3.867 1.00 2.04 C ATOM 88 CG LYS A 7 -17.151 -3.873 5.076 1.00 14.43 C ATOM 89 CD LYS A 7 -16.053 -3.041 5.780 1.00 63.33 C ATOM 90 CE LYS A 7 -16.598 -2.201 6.940 1.00 34.11 C ATOM 91 NZ LYS A 7 -15.509 -1.468 7.633 1.00 51.32 N ATOM 0 H LYS A 7 -15.694 -5.730 1.867 1.00 14.13 H new ATOM 0 HA LYS A 7 -17.694 -3.696 2.266 1.00 42.42 H new ATOM 0 HB2 LYS A 7 -17.205 -5.608 3.797 1.00 2.04 H new ATOM 0 HB3 LYS A 7 -15.594 -4.977 4.074 1.00 2.04 H new ATOM 0 HG2 LYS A 7 -17.942 -3.204 4.737 1.00 14.43 H new ATOM 0 HG3 LYS A 7 -17.598 -4.556 5.798 1.00 14.43 H new ATOM 0 HD2 LYS A 7 -15.279 -3.711 6.155 1.00 63.33 H new ATOM 0 HD3 LYS A 7 -15.579 -2.383 5.052 1.00 63.33 H new ATOM 0 HE2 LYS A 7 -17.335 -1.491 6.563 1.00 34.11 H new ATOM 0 HE3 LYS A 7 -17.113 -2.848 7.650 1.00 34.11 H new ATOM 0 HZ1 LYS A 7 -15.517 -1.709 8.645 1.00 51.32 H new ATOM 0 HZ2 LYS A 7 -14.593 -1.737 7.221 1.00 51.32 H new ATOM 0 HZ3 LYS A 7 -15.653 -0.444 7.520 1.00 51.32 H new ATOM 105 N PHE A 8 -14.519 -2.796 2.205 1.00 70.52 N ATOM 106 CA PHE A 8 -13.607 -1.635 2.082 1.00 4.30 C ATOM 107 C PHE A 8 -13.738 -0.960 0.702 1.00 73.50 C ATOM 108 O PHE A 8 -13.450 0.233 0.565 1.00 43.24 O ATOM 109 CB PHE A 8 -12.138 -2.052 2.357 1.00 21.42 C ATOM 110 CG PHE A 8 -11.890 -2.536 3.785 1.00 50.04 C ATOM 111 CD1 PHE A 8 -12.403 -1.827 4.873 1.00 52.31 C ATOM 112 CD2 PHE A 8 -11.139 -3.682 4.045 1.00 34.14 C ATOM 113 CE1 PHE A 8 -12.177 -2.251 6.167 1.00 15.31 C ATOM 114 CE2 PHE A 8 -10.917 -4.104 5.342 1.00 35.52 C ATOM 115 CZ PHE A 8 -11.434 -3.389 6.398 1.00 4.24 C ATOM 0 H PHE A 8 -14.054 -3.698 2.099 1.00 70.52 H new ATOM 0 HA PHE A 8 -13.900 -0.905 2.836 1.00 4.30 H new ATOM 0 HB2 PHE A 8 -11.859 -2.844 1.662 1.00 21.42 H new ATOM 0 HB3 PHE A 8 -11.485 -1.203 2.153 1.00 21.42 H new ATOM 0 HD1 PHE A 8 -12.985 -0.934 4.700 1.00 52.31 H new ATOM 0 HD2 PHE A 8 -10.726 -4.247 3.222 1.00 34.14 H new ATOM 0 HE1 PHE A 8 -12.582 -1.692 6.998 1.00 15.31 H new ATOM 0 HE2 PHE A 8 -10.337 -4.996 5.527 1.00 35.52 H new ATOM 0 HZ PHE A 8 -11.257 -3.720 7.411 1.00 4.24 H new ATOM 125 N GLU A 9 -14.175 -1.733 -0.310 1.00 43.44 N ATOM 126 CA GLU A 9 -14.517 -1.184 -1.641 1.00 11.42 C ATOM 127 C GLU A 9 -15.818 -0.375 -1.556 1.00 24.00 C ATOM 128 O GLU A 9 -15.967 0.647 -2.227 1.00 15.13 O ATOM 129 CB GLU A 9 -14.664 -2.309 -2.699 1.00 33.25 C ATOM 130 CG GLU A 9 -13.379 -3.106 -2.979 1.00 50.24 C ATOM 131 CD GLU A 9 -13.583 -4.198 -4.034 1.00 4.24 C ATOM 132 OE1 GLU A 9 -14.073 -5.289 -3.678 1.00 74.31 O ATOM 133 OE2 GLU A 9 -13.286 -3.960 -5.228 1.00 62.43 O ATOM 0 H GLU A 9 -14.301 -2.742 -0.233 1.00 43.44 H new ATOM 0 HA GLU A 9 -13.701 -0.532 -1.954 1.00 11.42 H new ATOM 0 HB2 GLU A 9 -15.438 -3.001 -2.367 1.00 33.25 H new ATOM 0 HB3 GLU A 9 -15.011 -1.867 -3.633 1.00 33.25 H new ATOM 0 HG2 GLU A 9 -12.598 -2.423 -3.314 1.00 50.24 H new ATOM 0 HG3 GLU A 9 -13.029 -3.561 -2.053 1.00 50.24 H new ATOM 140 N LYS A 10 -16.758 -0.855 -0.721 1.00 65.11 N ATOM 141 CA LYS A 10 -18.036 -0.165 -0.466 1.00 61.20 C ATOM 142 C LYS A 10 -17.783 1.086 0.404 1.00 5.11 C ATOM 143 O LYS A 10 -18.523 2.073 0.322 1.00 12.53 O ATOM 144 CB LYS A 10 -19.069 -1.139 0.188 1.00 53.22 C ATOM 145 CG LYS A 10 -20.493 -0.550 0.371 1.00 54.20 C ATOM 146 CD LYS A 10 -21.133 -0.107 -0.975 1.00 2.54 C ATOM 147 CE LYS A 10 -22.499 0.592 -0.792 1.00 40.02 C ATOM 148 NZ LYS A 10 -23.549 -0.325 -0.269 1.00 44.33 N ATOM 0 H LYS A 10 -16.654 -1.729 -0.206 1.00 65.11 H new ATOM 0 HA LYS A 10 -18.468 0.164 -1.411 1.00 61.20 H new ATOM 0 HB2 LYS A 10 -19.139 -2.037 -0.425 1.00 53.22 H new ATOM 0 HB3 LYS A 10 -18.690 -1.447 1.163 1.00 53.22 H new ATOM 0 HG2 LYS A 10 -21.132 -1.295 0.846 1.00 54.20 H new ATOM 0 HG3 LYS A 10 -20.445 0.305 1.045 1.00 54.20 H new ATOM 0 HD2 LYS A 10 -20.451 0.569 -1.490 1.00 2.54 H new ATOM 0 HD3 LYS A 10 -21.260 -0.980 -1.615 1.00 2.54 H new ATOM 0 HE2 LYS A 10 -22.383 1.433 -0.108 1.00 40.02 H new ATOM 0 HE3 LYS A 10 -22.824 1.002 -1.748 1.00 40.02 H new ATOM 0 HZ1 LYS A 10 -24.444 0.195 -0.165 1.00 44.33 H new ATOM 0 HZ2 LYS A 10 -23.682 -1.115 -0.933 1.00 44.33 H new ATOM 0 HZ3 LYS A 10 -23.255 -0.697 0.657 1.00 44.33 H new ATOM 162 N ALA A 11 -16.708 1.040 1.217 1.00 50.54 N ATOM 163 CA ALA A 11 -16.251 2.194 2.007 1.00 12.33 C ATOM 164 C ALA A 11 -15.570 3.241 1.100 1.00 20.10 C ATOM 165 O ALA A 11 -15.687 4.451 1.336 1.00 2.13 O ATOM 166 CB ALA A 11 -15.292 1.728 3.112 1.00 72.11 C ATOM 0 H ALA A 11 -16.137 0.204 1.342 1.00 50.54 H new ATOM 0 HA ALA A 11 -17.118 2.664 2.472 1.00 12.33 H new ATOM 0 HB1 ALA A 11 -14.959 2.589 3.692 1.00 72.11 H new ATOM 0 HB2 ALA A 11 -15.807 1.026 3.768 1.00 72.11 H new ATOM 0 HB3 ALA A 11 -14.429 1.238 2.662 1.00 72.11 H new ATOM 172 N TYR A 12 -14.867 2.748 0.066 1.00 20.33 N ATOM 173 CA TYR A 12 -14.158 3.589 -0.916 1.00 11.24 C ATOM 174 C TYR A 12 -15.168 4.116 -1.957 1.00 72.13 C ATOM 175 O TYR A 12 -15.701 3.332 -2.748 1.00 25.12 O ATOM 176 CB TYR A 12 -13.040 2.741 -1.621 1.00 10.40 C ATOM 177 CG TYR A 12 -11.940 3.536 -2.365 1.00 3.54 C ATOM 178 CD1 TYR A 12 -12.245 4.511 -3.318 1.00 14.25 C ATOM 179 CD2 TYR A 12 -10.592 3.307 -2.108 1.00 42.24 C ATOM 180 CE1 TYR A 12 -11.254 5.213 -3.982 1.00 40.44 C ATOM 181 CE2 TYR A 12 -9.612 4.005 -2.766 1.00 23.25 C ATOM 182 CZ TYR A 12 -9.936 4.952 -3.696 1.00 5.05 C ATOM 183 OH TYR A 12 -8.922 5.647 -4.332 1.00 53.34 O ATOM 0 H TYR A 12 -14.774 1.748 -0.114 1.00 20.33 H new ATOM 0 HA TYR A 12 -13.692 4.436 -0.412 1.00 11.24 H new ATOM 0 HB2 TYR A 12 -12.560 2.116 -0.868 1.00 10.40 H new ATOM 0 HB3 TYR A 12 -13.519 2.070 -2.335 1.00 10.40 H new ATOM 0 HD1 TYR A 12 -13.280 4.722 -3.542 1.00 14.25 H new ATOM 0 HD2 TYR A 12 -10.312 2.565 -1.375 1.00 42.24 H new ATOM 0 HE1 TYR A 12 -11.515 5.959 -4.718 1.00 40.44 H new ATOM 0 HE2 TYR A 12 -8.574 3.804 -2.547 1.00 23.25 H new ATOM 0 HH TYR A 12 -9.301 6.413 -4.811 1.00 53.34 H new ATOM 193 N LYS A 13 -15.444 5.421 -1.943 1.00 0.32 N ATOM 194 CA LYS A 13 -16.199 6.078 -3.028 1.00 3.54 C ATOM 195 C LYS A 13 -15.204 6.518 -4.124 1.00 51.54 C ATOM 196 O LYS A 13 -14.103 6.986 -3.796 1.00 55.15 O ATOM 197 CB LYS A 13 -16.998 7.295 -2.500 1.00 21.04 C ATOM 198 CG LYS A 13 -17.850 8.013 -3.578 1.00 73.35 C ATOM 199 CD LYS A 13 -18.580 9.285 -3.074 1.00 3.53 C ATOM 200 CE LYS A 13 -17.633 10.460 -2.729 1.00 51.31 C ATOM 201 NZ LYS A 13 -16.858 10.248 -1.471 1.00 34.11 N ATOM 0 H LYS A 13 -15.158 6.051 -1.193 1.00 0.32 H new ATOM 0 HA LYS A 13 -16.920 5.373 -3.441 1.00 3.54 H new ATOM 0 HB2 LYS A 13 -17.655 6.963 -1.696 1.00 21.04 H new ATOM 0 HB3 LYS A 13 -16.301 8.012 -2.067 1.00 21.04 H new ATOM 0 HG2 LYS A 13 -17.204 8.286 -4.412 1.00 73.35 H new ATOM 0 HG3 LYS A 13 -18.591 7.313 -3.964 1.00 73.35 H new ATOM 0 HD2 LYS A 13 -19.286 9.613 -3.837 1.00 3.53 H new ATOM 0 HD3 LYS A 13 -19.163 9.030 -2.189 1.00 3.53 H new ATOM 0 HE2 LYS A 13 -16.937 10.610 -3.554 1.00 51.31 H new ATOM 0 HE3 LYS A 13 -18.219 11.374 -2.636 1.00 51.31 H new ATOM 0 HZ1 LYS A 13 -16.907 11.105 -0.884 1.00 34.11 H new ATOM 0 HZ2 LYS A 13 -17.261 9.446 -0.946 1.00 34.11 H new ATOM 0 HZ3 LYS A 13 -15.865 10.045 -1.705 1.00 34.11 H new ATOM 215 N LYS A 14 -15.617 6.370 -5.404 1.00 13.22 N ATOM 216 CA LYS A 14 -14.795 6.654 -6.610 1.00 3.21 C ATOM 217 C LYS A 14 -13.980 7.962 -6.475 1.00 11.14 C ATOM 218 O LYS A 14 -14.562 9.049 -6.324 1.00 43.35 O ATOM 219 CB LYS A 14 -15.753 6.709 -7.854 1.00 5.00 C ATOM 220 CG LYS A 14 -15.104 6.856 -9.256 1.00 0.54 C ATOM 221 CD LYS A 14 -14.714 8.308 -9.623 1.00 24.31 C ATOM 222 CE LYS A 14 -14.213 8.443 -11.064 1.00 30.25 C ATOM 223 NZ LYS A 14 -15.266 8.115 -12.066 1.00 10.42 N ATOM 0 H LYS A 14 -16.554 6.042 -5.636 1.00 13.22 H new ATOM 0 HA LYS A 14 -14.061 5.858 -6.733 1.00 3.21 H new ATOM 0 HB2 LYS A 14 -16.354 5.799 -7.856 1.00 5.00 H new ATOM 0 HB3 LYS A 14 -16.439 7.544 -7.713 1.00 5.00 H new ATOM 0 HG2 LYS A 14 -14.213 6.230 -9.299 1.00 0.54 H new ATOM 0 HG3 LYS A 14 -15.797 6.477 -10.007 1.00 0.54 H new ATOM 0 HD2 LYS A 14 -15.577 8.958 -9.481 1.00 24.31 H new ATOM 0 HD3 LYS A 14 -13.939 8.655 -8.940 1.00 24.31 H new ATOM 0 HE2 LYS A 14 -13.863 9.462 -11.230 1.00 30.25 H new ATOM 0 HE3 LYS A 14 -13.358 7.784 -11.211 1.00 30.25 H new ATOM 0 HZ1 LYS A 14 -14.950 8.412 -13.011 1.00 10.42 H new ATOM 0 HZ2 LYS A 14 -15.438 7.089 -12.065 1.00 10.42 H new ATOM 0 HZ3 LYS A 14 -16.145 8.614 -11.822 1.00 10.42 H new ATOM 237 N ALA A 15 -12.634 7.834 -6.543 1.00 70.44 N ATOM 238 CA ALA A 15 -11.710 8.969 -6.461 1.00 32.02 C ATOM 239 C ALA A 15 -10.264 8.535 -6.761 1.00 22.32 C ATOM 240 O ALA A 15 -9.537 8.092 -5.864 1.00 43.51 O ATOM 241 CB ALA A 15 -11.786 9.648 -5.088 1.00 34.34 C ATOM 0 H ALA A 15 -12.166 6.935 -6.657 1.00 70.44 H new ATOM 0 HA ALA A 15 -12.015 9.691 -7.219 1.00 32.02 H new ATOM 0 HB1 ALA A 15 -11.090 10.486 -5.057 1.00 34.34 H new ATOM 0 HB2 ALA A 15 -12.799 10.012 -4.918 1.00 34.34 H new ATOM 0 HB3 ALA A 15 -11.523 8.929 -4.312 1.00 34.34 H new ATOM 247 N GLU A 16 -9.888 8.613 -8.042 1.00 51.02 N ATOM 248 CA GLU A 16 -8.487 8.475 -8.512 1.00 11.02 C ATOM 249 C GLU A 16 -7.995 9.830 -9.073 1.00 61.11 C ATOM 250 O GLU A 16 -6.931 9.914 -9.711 1.00 63.33 O ATOM 251 CB GLU A 16 -8.402 7.365 -9.589 1.00 53.03 C ATOM 252 CG GLU A 16 -9.286 7.609 -10.832 1.00 71.32 C ATOM 253 CD GLU A 16 -9.207 6.468 -11.858 1.00 44.14 C ATOM 254 OE1 GLU A 16 -9.772 5.389 -11.597 1.00 20.13 O ATOM 255 OE2 GLU A 16 -8.579 6.641 -12.927 1.00 54.40 O ATOM 0 H GLU A 16 -10.551 8.776 -8.800 1.00 51.02 H new ATOM 0 HA GLU A 16 -7.845 8.191 -7.678 1.00 11.02 H new ATOM 0 HB2 GLU A 16 -7.365 7.267 -9.910 1.00 53.03 H new ATOM 0 HB3 GLU A 16 -8.687 6.415 -9.137 1.00 53.03 H new ATOM 0 HG2 GLU A 16 -10.321 7.735 -10.516 1.00 71.32 H new ATOM 0 HG3 GLU A 16 -8.983 8.541 -11.309 1.00 71.32 H new ATOM 262 N GLU A 17 -8.768 10.883 -8.776 1.00 61.03 N ATOM 263 CA GLU A 17 -8.591 12.234 -9.324 1.00 12.30 C ATOM 264 C GLU A 17 -9.014 13.259 -8.244 1.00 33.35 C ATOM 265 O GLU A 17 -9.513 12.852 -7.176 1.00 71.11 O ATOM 266 CB GLU A 17 -9.454 12.358 -10.612 1.00 11.15 C ATOM 267 CG GLU A 17 -9.303 13.676 -11.414 1.00 70.12 C ATOM 268 CD GLU A 17 -10.244 13.749 -12.622 1.00 61.42 C ATOM 269 OE1 GLU A 17 -11.473 13.746 -12.422 1.00 73.44 O ATOM 270 OE2 GLU A 17 -9.770 13.771 -13.782 1.00 24.42 O ATOM 0 H GLU A 17 -9.555 10.817 -8.130 1.00 61.03 H new ATOM 0 HA GLU A 17 -7.552 12.429 -9.590 1.00 12.30 H new ATOM 0 HB2 GLU A 17 -9.207 11.526 -11.271 1.00 11.15 H new ATOM 0 HB3 GLU A 17 -10.502 12.244 -10.334 1.00 11.15 H new ATOM 0 HG2 GLU A 17 -9.500 14.521 -10.755 1.00 70.12 H new ATOM 0 HG3 GLU A 17 -8.272 13.772 -11.756 1.00 70.12 H new ATOM 277 N LEU A 18 -8.804 14.572 -8.530 1.00 40.02 N ATOM 278 CA LEU A 18 -9.128 15.709 -7.636 1.00 70.11 C ATOM 279 C LEU A 18 -8.093 15.798 -6.498 1.00 61.02 C ATOM 280 O LEU A 18 -7.589 14.770 -6.022 1.00 34.31 O ATOM 281 CB LEU A 18 -10.590 15.645 -7.076 1.00 3.42 C ATOM 282 CG LEU A 18 -11.746 15.568 -8.128 1.00 24.22 C ATOM 283 CD1 LEU A 18 -13.114 15.344 -7.443 1.00 53.52 C ATOM 284 CD2 LEU A 18 -11.767 16.829 -9.012 1.00 20.43 C ATOM 0 H LEU A 18 -8.393 14.873 -9.414 1.00 40.02 H new ATOM 0 HA LEU A 18 -9.076 16.619 -8.234 1.00 70.11 H new ATOM 0 HB2 LEU A 18 -10.666 14.775 -6.424 1.00 3.42 H new ATOM 0 HB3 LEU A 18 -10.754 16.525 -6.454 1.00 3.42 H new ATOM 0 HG LEU A 18 -11.556 14.709 -8.771 1.00 24.22 H new ATOM 0 HD11 LEU A 18 -13.896 15.295 -8.200 1.00 53.52 H new ATOM 0 HD12 LEU A 18 -13.092 14.409 -6.883 1.00 53.52 H new ATOM 0 HD13 LEU A 18 -13.319 16.170 -6.762 1.00 53.52 H new ATOM 0 HD21 LEU A 18 -12.579 16.753 -9.735 1.00 20.43 H new ATOM 0 HD22 LEU A 18 -11.919 17.709 -8.387 1.00 20.43 H new ATOM 0 HD23 LEU A 18 -10.818 16.919 -9.540 1.00 20.43 H new ATOM 296 N ASN A 19 -7.752 17.022 -6.082 1.00 41.43 N ATOM 297 CA ASN A 19 -6.805 17.249 -4.983 1.00 2.00 C ATOM 298 C ASN A 19 -7.497 16.953 -3.636 1.00 4.21 C ATOM 299 O ASN A 19 -8.005 17.852 -2.953 1.00 34.21 O ATOM 300 CB ASN A 19 -6.244 18.693 -5.055 1.00 33.04 C ATOM 301 CG ASN A 19 -5.160 18.991 -4.007 1.00 54.04 C ATOM 302 OD1 ASN A 19 -4.419 18.102 -3.576 1.00 54.14 O ATOM 303 ND2 ASN A 19 -5.041 20.252 -3.611 1.00 21.25 N ATOM 0 H ASN A 19 -8.121 17.879 -6.494 1.00 41.43 H new ATOM 0 HA ASN A 19 -5.956 16.571 -5.074 1.00 2.00 H new ATOM 0 HB2 ASN A 19 -5.831 18.863 -6.049 1.00 33.04 H new ATOM 0 HB3 ASN A 19 -7.065 19.398 -4.926 1.00 33.04 H new ATOM 0 HD21 ASN A 19 -4.323 20.508 -2.933 1.00 21.25 H new ATOM 0 HD22 ASN A 19 -5.667 20.965 -3.984 1.00 21.25 H new ATOM 310 N GLN A 20 -7.569 15.655 -3.317 1.00 1.14 N ATOM 311 CA GLN A 20 -8.258 15.133 -2.134 1.00 74.05 C ATOM 312 C GLN A 20 -7.611 13.799 -1.711 1.00 35.22 C ATOM 313 O GLN A 20 -6.936 13.133 -2.511 1.00 24.32 O ATOM 314 CB GLN A 20 -9.779 14.956 -2.435 1.00 64.34 C ATOM 315 CG GLN A 20 -10.093 14.114 -3.688 1.00 74.24 C ATOM 316 CD GLN A 20 -11.588 13.954 -3.981 1.00 65.01 C ATOM 317 OE1 GLN A 20 -12.416 14.787 -3.604 1.00 25.33 O ATOM 318 NE2 GLN A 20 -11.937 12.911 -4.716 1.00 52.51 N ATOM 0 H GLN A 20 -7.141 14.925 -3.886 1.00 1.14 H new ATOM 0 HA GLN A 20 -8.162 15.840 -1.310 1.00 74.05 H new ATOM 0 HB2 GLN A 20 -10.255 14.490 -1.572 1.00 64.34 H new ATOM 0 HB3 GLN A 20 -10.229 15.942 -2.554 1.00 64.34 H new ATOM 0 HG2 GLN A 20 -9.613 14.575 -4.551 1.00 74.24 H new ATOM 0 HG3 GLN A 20 -9.650 13.125 -3.567 1.00 74.24 H new ATOM 0 HE21 GLN A 20 -11.231 12.238 -5.014 1.00 52.51 H new ATOM 0 HE22 GLN A 20 -12.912 12.780 -4.985 1.00 52.51 H new ATOM 327 N GLY A 21 -7.819 13.437 -0.442 1.00 71.04 N ATOM 328 CA GLY A 21 -7.260 12.224 0.135 1.00 43.41 C ATOM 329 C GLY A 21 -7.953 11.834 1.429 1.00 51.10 C ATOM 330 O GLY A 21 -8.910 12.514 1.847 1.00 34.11 O ATOM 0 H GLY A 21 -8.382 13.982 0.211 1.00 71.04 H new ATOM 0 HA2 GLY A 21 -7.348 11.408 -0.583 1.00 43.41 H new ATOM 0 HA3 GLY A 21 -6.196 12.370 0.324 1.00 43.41 H new ATOM 334 N GLU A 22 -7.449 10.744 2.058 1.00 53.13 N ATOM 335 CA GLU A 22 -7.981 10.165 3.316 1.00 71.40 C ATOM 336 C GLU A 22 -9.326 9.422 3.101 1.00 61.15 C ATOM 337 O GLU A 22 -9.455 8.239 3.463 1.00 14.10 O ATOM 338 CB GLU A 22 -8.089 11.231 4.451 1.00 64.33 C ATOM 339 CG GLU A 22 -8.658 10.685 5.774 1.00 71.24 C ATOM 340 CD GLU A 22 -8.531 11.672 6.944 1.00 41.13 C ATOM 341 OE1 GLU A 22 -9.449 12.490 7.150 1.00 32.40 O ATOM 342 OE2 GLU A 22 -7.509 11.644 7.653 1.00 73.43 O ATOM 0 H GLU A 22 -6.644 10.232 1.697 1.00 53.13 H new ATOM 0 HA GLU A 22 -7.256 9.419 3.642 1.00 71.40 H new ATOM 0 HB2 GLU A 22 -7.100 11.648 4.638 1.00 64.33 H new ATOM 0 HB3 GLU A 22 -8.721 12.050 4.107 1.00 64.33 H new ATOM 0 HG2 GLU A 22 -9.709 10.433 5.633 1.00 71.24 H new ATOM 0 HG3 GLU A 22 -8.140 9.761 6.030 1.00 71.24 H new ATOM 349 N LEU A 23 -10.317 10.142 2.527 1.00 22.21 N ATOM 350 CA LEU A 23 -11.625 9.576 2.100 1.00 43.40 C ATOM 351 C LEU A 23 -11.406 8.383 1.142 1.00 1.01 C ATOM 352 O LEU A 23 -12.159 7.399 1.145 1.00 13.30 O ATOM 353 CB LEU A 23 -12.464 10.655 1.350 1.00 41.10 C ATOM 354 CG LEU A 23 -12.538 12.069 1.995 1.00 2.32 C ATOM 355 CD1 LEU A 23 -13.168 13.086 1.020 1.00 63.33 C ATOM 356 CD2 LEU A 23 -13.282 12.036 3.345 1.00 71.12 C ATOM 0 H LEU A 23 -10.234 11.142 2.344 1.00 22.21 H new ATOM 0 HA LEU A 23 -12.155 9.246 2.993 1.00 43.40 H new ATOM 0 HB2 LEU A 23 -12.056 10.762 0.345 1.00 41.10 H new ATOM 0 HB3 LEU A 23 -13.481 10.278 1.243 1.00 41.10 H new ATOM 0 HG LEU A 23 -11.519 12.397 2.201 1.00 2.32 H new ATOM 0 HD11 LEU A 23 -13.209 14.067 1.494 1.00 63.33 H new ATOM 0 HD12 LEU A 23 -12.563 13.145 0.115 1.00 63.33 H new ATOM 0 HD13 LEU A 23 -14.177 12.765 0.762 1.00 63.33 H new ATOM 0 HD21 LEU A 23 -13.315 13.040 3.767 1.00 71.12 H new ATOM 0 HD22 LEU A 23 -14.298 11.674 3.192 1.00 71.12 H new ATOM 0 HD23 LEU A 23 -12.759 11.371 4.032 1.00 71.12 H new ATOM 368 N MET A 24 -10.366 8.525 0.314 1.00 53.22 N ATOM 369 CA MET A 24 -9.890 7.496 -0.616 1.00 71.02 C ATOM 370 C MET A 24 -8.425 7.148 -0.278 1.00 20.03 C ATOM 371 O MET A 24 -7.787 7.818 0.544 1.00 53.03 O ATOM 372 CB MET A 24 -10.020 7.983 -2.085 1.00 3.42 C ATOM 373 CG MET A 24 -9.090 9.131 -2.501 1.00 10.13 C ATOM 374 SD MET A 24 -9.370 10.639 -1.574 1.00 55.12 S ATOM 375 CE MET A 24 -11.071 10.987 -1.964 1.00 5.23 C ATOM 0 H MET A 24 -9.817 9.383 0.271 1.00 53.22 H new ATOM 0 HA MET A 24 -10.503 6.601 -0.511 1.00 71.02 H new ATOM 0 HB2 MET A 24 -9.835 7.135 -2.745 1.00 3.42 H new ATOM 0 HB3 MET A 24 -11.050 8.298 -2.252 1.00 3.42 H new ATOM 0 HG2 MET A 24 -8.055 8.817 -2.368 1.00 10.13 H new ATOM 0 HG3 MET A 24 -9.227 9.334 -3.563 1.00 10.13 H new ATOM 0 HE1 MET A 24 -11.366 11.927 -1.499 1.00 5.23 H new ATOM 0 HE2 MET A 24 -11.188 11.065 -3.045 1.00 5.23 H new ATOM 0 HE3 MET A 24 -11.703 10.182 -1.588 1.00 5.23 H new ATOM 385 N GLY A 25 -7.897 6.104 -0.933 1.00 44.20 N ATOM 386 CA GLY A 25 -6.542 5.612 -0.681 1.00 0.12 C ATOM 387 C GLY A 25 -6.481 4.638 0.490 1.00 2.14 C ATOM 388 O GLY A 25 -6.096 3.479 0.316 1.00 52.44 O ATOM 0 H GLY A 25 -8.399 5.580 -1.650 1.00 44.20 H new ATOM 0 HA2 GLY A 25 -6.165 5.120 -1.578 1.00 0.12 H new ATOM 0 HA3 GLY A 25 -5.884 6.457 -0.480 1.00 0.12 H new ATOM 392 N ARG A 26 -6.918 5.105 1.673 1.00 62.34 N ATOM 393 CA ARG A 26 -6.820 4.354 2.942 1.00 41.43 C ATOM 394 C ARG A 26 -7.621 3.038 2.896 1.00 34.24 C ATOM 395 O ARG A 26 -7.250 2.056 3.547 1.00 0.23 O ATOM 396 CB ARG A 26 -7.292 5.239 4.134 1.00 72.02 C ATOM 397 CG ARG A 26 -6.920 4.674 5.525 1.00 74.13 C ATOM 398 CD ARG A 26 -7.349 5.598 6.677 1.00 53.35 C ATOM 399 NE ARG A 26 -6.810 5.151 7.974 1.00 3.15 N ATOM 400 CZ ARG A 26 -5.663 5.600 8.523 1.00 1.54 C ATOM 401 NH1 ARG A 26 -4.916 6.514 7.906 1.00 45.21 N ATOM 402 NH2 ARG A 26 -5.281 5.150 9.708 1.00 61.00 N ATOM 0 H ARG A 26 -7.353 6.022 1.778 1.00 62.34 H new ATOM 0 HA ARG A 26 -5.772 4.092 3.087 1.00 41.43 H new ATOM 0 HB2 ARG A 26 -6.857 6.233 4.029 1.00 72.02 H new ATOM 0 HB3 ARG A 26 -8.374 5.357 4.079 1.00 72.02 H new ATOM 0 HG2 ARG A 26 -7.389 3.699 5.653 1.00 74.13 H new ATOM 0 HG3 ARG A 26 -5.842 4.518 5.572 1.00 74.13 H new ATOM 0 HD2 ARG A 26 -7.008 6.613 6.473 1.00 53.35 H new ATOM 0 HD3 ARG A 26 -8.437 5.631 6.729 1.00 53.35 H new ATOM 0 HE ARG A 26 -7.342 4.453 8.493 1.00 3.15 H new ATOM 0 HH11 ARG A 26 -5.209 6.886 7.003 1.00 45.21 H new ATOM 0 HH12 ARG A 26 -4.051 6.842 8.337 1.00 45.21 H new ATOM 0 HH21 ARG A 26 -5.854 4.466 10.203 1.00 61.00 H new ATOM 0 HH22 ARG A 26 -4.414 5.487 10.126 1.00 61.00 H new ATOM 416 N ALA A 27 -8.710 3.029 2.112 1.00 34.23 N ATOM 417 CA ALA A 27 -9.556 1.843 1.943 1.00 14.42 C ATOM 418 C ALA A 27 -8.857 0.793 1.067 1.00 50.33 C ATOM 419 O ALA A 27 -9.038 -0.402 1.295 1.00 14.14 O ATOM 420 CB ALA A 27 -10.916 2.227 1.362 1.00 5.22 C ATOM 0 H ALA A 27 -9.026 3.841 1.581 1.00 34.23 H new ATOM 0 HA ALA A 27 -9.723 1.401 2.925 1.00 14.42 H new ATOM 0 HB1 ALA A 27 -11.527 1.332 1.245 1.00 5.22 H new ATOM 0 HB2 ALA A 27 -11.416 2.923 2.036 1.00 5.22 H new ATOM 0 HB3 ALA A 27 -10.776 2.700 0.390 1.00 5.22 H new ATOM 426 N LEU A 28 -8.054 1.249 0.070 1.00 72.11 N ATOM 427 CA LEU A 28 -7.193 0.347 -0.736 1.00 32.03 C ATOM 428 C LEU A 28 -6.119 -0.280 0.159 1.00 74.43 C ATOM 429 O LEU A 28 -5.834 -1.468 0.054 1.00 1.40 O ATOM 430 CB LEU A 28 -6.514 1.094 -1.915 1.00 20.44 C ATOM 431 CG LEU A 28 -7.430 1.502 -3.090 1.00 10.40 C ATOM 432 CD1 LEU A 28 -6.653 2.295 -4.160 1.00 61.40 C ATOM 433 CD2 LEU A 28 -8.156 0.287 -3.699 1.00 1.04 C ATOM 0 H LEU A 28 -7.986 2.232 -0.193 1.00 72.11 H new ATOM 0 HA LEU A 28 -7.832 -0.430 -1.156 1.00 32.03 H new ATOM 0 HB2 LEU A 28 -6.042 1.994 -1.522 1.00 20.44 H new ATOM 0 HB3 LEU A 28 -5.718 0.461 -2.307 1.00 20.44 H new ATOM 0 HG LEU A 28 -8.198 2.163 -2.687 1.00 10.40 H new ATOM 0 HD11 LEU A 28 -7.327 2.566 -4.973 1.00 61.40 H new ATOM 0 HD12 LEU A 28 -6.240 3.200 -3.714 1.00 61.40 H new ATOM 0 HD13 LEU A 28 -5.842 1.680 -4.551 1.00 61.40 H new ATOM 0 HD21 LEU A 28 -8.790 0.617 -4.522 1.00 1.04 H new ATOM 0 HD22 LEU A 28 -7.421 -0.427 -4.071 1.00 1.04 H new ATOM 0 HD23 LEU A 28 -8.771 -0.189 -2.936 1.00 1.04 H new ATOM 445 N TYR A 29 -5.541 0.555 1.046 1.00 3.20 N ATOM 446 CA TYR A 29 -4.568 0.119 2.063 1.00 65.43 C ATOM 447 C TYR A 29 -5.175 -1.006 2.922 1.00 54.55 C ATOM 448 O TYR A 29 -4.523 -2.023 3.172 1.00 41.02 O ATOM 449 CB TYR A 29 -4.150 1.326 2.955 1.00 55.51 C ATOM 450 CG TYR A 29 -3.191 0.986 4.099 1.00 54.43 C ATOM 451 CD1 TYR A 29 -1.910 0.508 3.833 1.00 24.34 C ATOM 452 CD2 TYR A 29 -3.563 1.132 5.441 1.00 41.40 C ATOM 453 CE1 TYR A 29 -1.038 0.194 4.850 1.00 4.42 C ATOM 454 CE2 TYR A 29 -2.686 0.820 6.463 1.00 21.13 C ATOM 455 CZ TYR A 29 -1.426 0.349 6.160 1.00 55.24 C ATOM 456 OH TYR A 29 -0.546 0.030 7.176 1.00 33.33 O ATOM 0 H TYR A 29 -5.738 1.555 1.075 1.00 3.20 H new ATOM 0 HA TYR A 29 -3.678 -0.266 1.565 1.00 65.43 H new ATOM 0 HB2 TYR A 29 -3.683 2.081 2.322 1.00 55.51 H new ATOM 0 HB3 TYR A 29 -5.049 1.775 3.377 1.00 55.51 H new ATOM 0 HD1 TYR A 29 -1.595 0.381 2.808 1.00 24.34 H new ATOM 0 HD2 TYR A 29 -4.552 1.494 5.682 1.00 41.40 H new ATOM 0 HE1 TYR A 29 -0.049 -0.174 4.619 1.00 4.42 H new ATOM 0 HE2 TYR A 29 -2.986 0.944 7.493 1.00 21.13 H new ATOM 0 HH TYR A 29 0.176 -0.529 6.820 1.00 33.33 H new ATOM 466 N ASN A 30 -6.450 -0.819 3.315 1.00 74.12 N ATOM 467 CA ASN A 30 -7.200 -1.796 4.114 1.00 61.21 C ATOM 468 C ASN A 30 -7.424 -3.103 3.336 1.00 53.40 C ATOM 469 O ASN A 30 -7.276 -4.186 3.905 1.00 33.31 O ATOM 470 CB ASN A 30 -8.553 -1.202 4.577 1.00 4.53 C ATOM 471 CG ASN A 30 -8.424 -0.036 5.562 1.00 13.11 C ATOM 472 OD1 ASN A 30 -9.247 0.880 5.558 1.00 4.45 O ATOM 473 ND2 ASN A 30 -7.413 -0.063 6.429 1.00 73.41 N ATOM 0 H ASN A 30 -6.986 0.017 3.084 1.00 74.12 H new ATOM 0 HA ASN A 30 -6.603 -2.029 4.996 1.00 61.21 H new ATOM 0 HB2 ASN A 30 -9.107 -0.863 3.701 1.00 4.53 H new ATOM 0 HB3 ASN A 30 -9.143 -1.992 5.042 1.00 4.53 H new ATOM 0 HD21 ASN A 30 -7.306 0.687 7.112 1.00 73.41 H new ATOM 0 HD22 ASN A 30 -6.746 -0.834 6.410 1.00 73.41 H new ATOM 480 N ILE A 31 -7.767 -2.980 2.037 1.00 4.12 N ATOM 481 CA ILE A 31 -7.932 -4.134 1.132 1.00 24.54 C ATOM 482 C ILE A 31 -6.619 -4.926 1.046 1.00 43.13 C ATOM 483 O ILE A 31 -6.633 -6.155 1.077 1.00 25.23 O ATOM 484 CB ILE A 31 -8.368 -3.671 -0.314 1.00 63.00 C ATOM 485 CG1 ILE A 31 -9.781 -3.018 -0.286 1.00 24.41 C ATOM 486 CG2 ILE A 31 -8.317 -4.830 -1.337 1.00 11.13 C ATOM 487 CD1 ILE A 31 -10.185 -2.320 -1.575 1.00 2.52 C ATOM 0 H ILE A 31 -7.937 -2.080 1.588 1.00 4.12 H new ATOM 0 HA ILE A 31 -8.718 -4.770 1.539 1.00 24.54 H new ATOM 0 HB ILE A 31 -7.648 -2.921 -0.641 1.00 63.00 H new ATOM 0 HG12 ILE A 31 -10.518 -3.789 -0.060 1.00 24.41 H new ATOM 0 HG13 ILE A 31 -9.816 -2.295 0.529 1.00 24.41 H new ATOM 0 HG21 ILE A 31 -8.625 -4.464 -2.317 1.00 11.13 H new ATOM 0 HG22 ILE A 31 -7.300 -5.217 -1.398 1.00 11.13 H new ATOM 0 HG23 ILE A 31 -8.990 -5.626 -1.019 1.00 11.13 H new ATOM 0 HD11 ILE A 31 -11.183 -1.896 -1.462 1.00 2.52 H new ATOM 0 HD12 ILE A 31 -9.475 -1.523 -1.795 1.00 2.52 H new ATOM 0 HD13 ILE A 31 -10.188 -3.040 -2.393 1.00 2.52 H new ATOM 499 N GLY A 32 -5.500 -4.185 0.966 1.00 44.22 N ATOM 500 CA GLY A 32 -4.171 -4.767 0.875 1.00 3.42 C ATOM 501 C GLY A 32 -3.808 -5.585 2.107 1.00 34.12 C ATOM 502 O GLY A 32 -3.216 -6.658 1.992 1.00 73.21 O ATOM 0 H GLY A 32 -5.503 -3.165 0.963 1.00 44.22 H new ATOM 0 HA2 GLY A 32 -4.116 -5.403 -0.009 1.00 3.42 H new ATOM 0 HA3 GLY A 32 -3.438 -3.972 0.742 1.00 3.42 H new ATOM 506 N LEU A 33 -4.168 -5.055 3.291 1.00 33.52 N ATOM 507 CA LEU A 33 -3.934 -5.731 4.583 1.00 40.42 C ATOM 508 C LEU A 33 -4.641 -7.101 4.607 1.00 31.13 C ATOM 509 O LEU A 33 -4.081 -8.082 5.102 1.00 5.55 O ATOM 510 CB LEU A 33 -4.420 -4.836 5.768 1.00 52.31 C ATOM 511 CG LEU A 33 -3.715 -3.449 5.919 1.00 51.41 C ATOM 512 CD1 LEU A 33 -4.387 -2.587 7.006 1.00 72.44 C ATOM 513 CD2 LEU A 33 -2.204 -3.613 6.184 1.00 14.32 C ATOM 0 H LEU A 33 -4.628 -4.149 3.380 1.00 33.52 H new ATOM 0 HA LEU A 33 -2.863 -5.895 4.699 1.00 40.42 H new ATOM 0 HB2 LEU A 33 -5.490 -4.666 5.652 1.00 52.31 H new ATOM 0 HB3 LEU A 33 -4.284 -5.392 6.696 1.00 52.31 H new ATOM 0 HG LEU A 33 -3.827 -2.922 4.972 1.00 51.41 H new ATOM 0 HD11 LEU A 33 -3.870 -1.630 7.083 1.00 72.44 H new ATOM 0 HD12 LEU A 33 -5.430 -2.416 6.741 1.00 72.44 H new ATOM 0 HD13 LEU A 33 -4.336 -3.105 7.964 1.00 72.44 H new ATOM 0 HD21 LEU A 33 -1.743 -2.630 6.284 1.00 14.32 H new ATOM 0 HD22 LEU A 33 -2.055 -4.179 7.104 1.00 14.32 H new ATOM 0 HD23 LEU A 33 -1.744 -4.146 5.352 1.00 14.32 H new ATOM 525 N GLU A 34 -5.858 -7.144 4.032 1.00 23.20 N ATOM 526 CA GLU A 34 -6.687 -8.359 3.981 1.00 53.31 C ATOM 527 C GLU A 34 -6.186 -9.332 2.893 1.00 43.13 C ATOM 528 O GLU A 34 -6.182 -10.543 3.106 1.00 74.11 O ATOM 529 CB GLU A 34 -8.167 -7.989 3.721 1.00 32.25 C ATOM 530 CG GLU A 34 -8.747 -6.939 4.683 1.00 42.02 C ATOM 531 CD GLU A 34 -8.612 -7.317 6.171 1.00 71.24 C ATOM 532 OE1 GLU A 34 -9.356 -8.201 6.635 1.00 3.43 O ATOM 533 OE2 GLU A 34 -7.760 -6.739 6.881 1.00 71.42 O ATOM 0 H GLU A 34 -6.293 -6.334 3.589 1.00 23.20 H new ATOM 0 HA GLU A 34 -6.608 -8.859 4.946 1.00 53.31 H new ATOM 0 HB2 GLU A 34 -8.260 -7.617 2.701 1.00 32.25 H new ATOM 0 HB3 GLU A 34 -8.770 -8.894 3.787 1.00 32.25 H new ATOM 0 HG2 GLU A 34 -8.245 -5.987 4.513 1.00 42.02 H new ATOM 0 HG3 GLU A 34 -9.801 -6.789 4.450 1.00 42.02 H new ATOM 540 N LYS A 35 -5.754 -8.778 1.735 1.00 71.24 N ATOM 541 CA LYS A 35 -5.170 -9.567 0.627 1.00 35.24 C ATOM 542 C LYS A 35 -3.945 -10.343 1.133 1.00 31.34 C ATOM 543 O LYS A 35 -3.793 -11.532 0.857 1.00 24.11 O ATOM 544 CB LYS A 35 -4.751 -8.640 -0.555 1.00 61.55 C ATOM 545 CG LYS A 35 -5.905 -8.065 -1.398 1.00 63.30 C ATOM 546 CD LYS A 35 -6.645 -9.146 -2.213 1.00 5.24 C ATOM 547 CE LYS A 35 -7.752 -8.562 -3.106 1.00 23.03 C ATOM 548 NZ LYS A 35 -8.480 -9.626 -3.860 1.00 5.32 N ATOM 0 H LYS A 35 -5.801 -7.777 1.544 1.00 71.24 H new ATOM 0 HA LYS A 35 -5.925 -10.266 0.267 1.00 35.24 H new ATOM 0 HB2 LYS A 35 -4.171 -7.809 -0.152 1.00 61.55 H new ATOM 0 HB3 LYS A 35 -4.089 -9.201 -1.215 1.00 61.55 H new ATOM 0 HG2 LYS A 35 -6.614 -7.563 -0.740 1.00 63.30 H new ATOM 0 HG3 LYS A 35 -5.511 -7.310 -2.078 1.00 63.30 H new ATOM 0 HD2 LYS A 35 -5.927 -9.681 -2.834 1.00 5.24 H new ATOM 0 HD3 LYS A 35 -7.081 -9.875 -1.530 1.00 5.24 H new ATOM 0 HE2 LYS A 35 -8.459 -8.005 -2.491 1.00 23.03 H new ATOM 0 HE3 LYS A 35 -7.315 -7.853 -3.809 1.00 23.03 H new ATOM 0 HZ1 LYS A 35 -8.703 -9.283 -4.816 1.00 5.32 H new ATOM 0 HZ2 LYS A 35 -7.882 -10.475 -3.927 1.00 5.32 H new ATOM 0 HZ3 LYS A 35 -9.362 -9.862 -3.362 1.00 5.32 H new ATOM 562 N ASN A 36 -3.113 -9.640 1.915 1.00 15.22 N ATOM 563 CA ASN A 36 -1.866 -10.179 2.486 1.00 73.22 C ATOM 564 C ASN A 36 -2.167 -11.372 3.429 1.00 12.31 C ATOM 565 O ASN A 36 -1.370 -12.315 3.528 1.00 24.15 O ATOM 566 CB ASN A 36 -1.106 -9.038 3.230 1.00 72.20 C ATOM 567 CG ASN A 36 0.409 -9.262 3.381 1.00 43.51 C ATOM 568 OD1 ASN A 36 0.898 -10.389 3.458 1.00 25.41 O ATOM 569 ND2 ASN A 36 1.159 -8.170 3.440 1.00 35.34 N ATOM 0 H ASN A 36 -3.288 -8.669 2.173 1.00 15.22 H new ATOM 0 HA ASN A 36 -1.231 -10.555 1.684 1.00 73.22 H new ATOM 0 HB2 ASN A 36 -1.269 -8.103 2.694 1.00 72.20 H new ATOM 0 HB3 ASN A 36 -1.542 -8.917 4.222 1.00 72.20 H new ATOM 0 HD21 ASN A 36 2.170 -8.251 3.552 1.00 35.34 H new ATOM 0 HD22 ASN A 36 0.725 -7.249 3.373 1.00 35.34 H new ATOM 576 N LYS A 37 -3.357 -11.340 4.072 1.00 60.43 N ATOM 577 CA LYS A 37 -3.821 -12.418 4.975 1.00 34.20 C ATOM 578 C LYS A 37 -4.302 -13.626 4.162 1.00 54.34 C ATOM 579 O LYS A 37 -4.142 -14.780 4.577 1.00 70.11 O ATOM 580 CB LYS A 37 -4.962 -11.913 5.903 1.00 64.52 C ATOM 581 CG LYS A 37 -4.552 -10.757 6.833 1.00 71.41 C ATOM 582 CD LYS A 37 -3.357 -11.120 7.745 1.00 20.05 C ATOM 583 CE LYS A 37 -2.960 -9.974 8.683 1.00 44.12 C ATOM 584 NZ LYS A 37 -2.627 -8.730 7.938 1.00 51.32 N ATOM 0 H LYS A 37 -4.020 -10.570 3.980 1.00 60.43 H new ATOM 0 HA LYS A 37 -2.980 -12.722 5.598 1.00 34.20 H new ATOM 0 HB2 LYS A 37 -5.800 -11.589 5.286 1.00 64.52 H new ATOM 0 HB3 LYS A 37 -5.316 -12.746 6.511 1.00 64.52 H new ATOM 0 HG2 LYS A 37 -4.293 -9.886 6.231 1.00 71.41 H new ATOM 0 HG3 LYS A 37 -5.404 -10.475 7.452 1.00 71.41 H new ATOM 0 HD2 LYS A 37 -3.612 -11.998 8.338 1.00 20.05 H new ATOM 0 HD3 LYS A 37 -2.502 -11.390 7.126 1.00 20.05 H new ATOM 0 HE2 LYS A 37 -3.778 -9.773 9.375 1.00 44.12 H new ATOM 0 HE3 LYS A 37 -2.102 -10.278 9.282 1.00 44.12 H new ATOM 0 HZ1 LYS A 37 -2.204 -8.038 8.589 1.00 51.32 H new ATOM 0 HZ2 LYS A 37 -1.950 -8.950 7.180 1.00 51.32 H new ATOM 0 HZ3 LYS A 37 -3.493 -8.331 7.524 1.00 51.32 H new ATOM 598 N MET A 38 -4.885 -13.341 2.990 1.00 5.45 N ATOM 599 CA MET A 38 -5.402 -14.363 2.066 1.00 61.13 C ATOM 600 C MET A 38 -4.259 -15.069 1.299 1.00 24.43 C ATOM 601 O MET A 38 -4.502 -16.045 0.585 1.00 40.13 O ATOM 602 CB MET A 38 -6.414 -13.706 1.082 1.00 53.53 C ATOM 603 CG MET A 38 -7.641 -13.083 1.769 1.00 4.01 C ATOM 604 SD MET A 38 -8.764 -12.247 0.631 1.00 41.54 S ATOM 605 CE MET A 38 -9.328 -13.600 -0.389 1.00 72.32 C ATOM 0 H MET A 38 -5.013 -12.387 2.652 1.00 5.45 H new ATOM 0 HA MET A 38 -5.914 -15.130 2.647 1.00 61.13 H new ATOM 0 HB2 MET A 38 -5.900 -12.934 0.510 1.00 53.53 H new ATOM 0 HB3 MET A 38 -6.752 -14.458 0.369 1.00 53.53 H new ATOM 0 HG2 MET A 38 -8.188 -13.865 2.295 1.00 4.01 H new ATOM 0 HG3 MET A 38 -7.302 -12.370 2.521 1.00 4.01 H new ATOM 0 HE1 MET A 38 -10.155 -13.264 -1.015 1.00 72.32 H new ATOM 0 HE2 MET A 38 -8.510 -13.944 -1.022 1.00 72.32 H new ATOM 0 HE3 MET A 38 -9.664 -14.419 0.247 1.00 72.32 H new ATOM 615 N GLY A 39 -3.014 -14.567 1.470 1.00 62.32 N ATOM 616 CA GLY A 39 -1.830 -15.089 0.767 1.00 50.43 C ATOM 617 C GLY A 39 -1.494 -14.270 -0.473 1.00 53.32 C ATOM 618 O GLY A 39 -0.464 -14.488 -1.128 1.00 73.14 O ATOM 0 H GLY A 39 -2.807 -13.791 2.099 1.00 62.32 H new ATOM 0 HA2 GLY A 39 -0.976 -15.087 1.445 1.00 50.43 H new ATOM 0 HA3 GLY A 39 -2.007 -16.125 0.480 1.00 50.43 H new ATOM 622 N LYS A 40 -2.376 -13.310 -0.776 1.00 54.12 N ATOM 623 CA LYS A 40 -2.283 -12.432 -1.945 1.00 20.43 C ATOM 624 C LYS A 40 -1.425 -11.186 -1.623 1.00 62.05 C ATOM 625 O LYS A 40 -1.912 -10.053 -1.655 1.00 32.33 O ATOM 626 CB LYS A 40 -3.721 -12.015 -2.367 1.00 3.24 C ATOM 627 CG LYS A 40 -4.665 -13.188 -2.707 1.00 2.00 C ATOM 628 CD LYS A 40 -6.150 -12.747 -2.783 1.00 42.32 C ATOM 629 CE LYS A 40 -7.050 -13.801 -3.434 1.00 54.41 C ATOM 630 NZ LYS A 40 -6.702 -14.006 -4.863 1.00 3.30 N ATOM 0 H LYS A 40 -3.195 -13.119 -0.199 1.00 54.12 H new ATOM 0 HA LYS A 40 -1.799 -12.962 -2.766 1.00 20.43 H new ATOM 0 HB2 LYS A 40 -4.166 -11.432 -1.561 1.00 3.24 H new ATOM 0 HB3 LYS A 40 -3.653 -11.359 -3.235 1.00 3.24 H new ATOM 0 HG2 LYS A 40 -4.369 -13.625 -3.661 1.00 2.00 H new ATOM 0 HG3 LYS A 40 -4.558 -13.968 -1.953 1.00 2.00 H new ATOM 0 HD2 LYS A 40 -6.514 -12.537 -1.777 1.00 42.32 H new ATOM 0 HD3 LYS A 40 -6.220 -11.817 -3.348 1.00 42.32 H new ATOM 0 HE2 LYS A 40 -6.955 -14.744 -2.896 1.00 54.41 H new ATOM 0 HE3 LYS A 40 -8.092 -13.491 -3.353 1.00 54.41 H new ATOM 0 HZ1 LYS A 40 -7.573 -14.118 -5.420 1.00 3.30 H new ATOM 0 HZ2 LYS A 40 -6.171 -13.183 -5.213 1.00 3.30 H new ATOM 0 HZ3 LYS A 40 -6.118 -14.861 -4.959 1.00 3.30 H new ATOM 644 N ALA A 41 -0.137 -11.409 -1.304 1.00 50.33 N ATOM 645 CA ALA A 41 0.793 -10.328 -0.924 1.00 53.44 C ATOM 646 C ALA A 41 1.199 -9.465 -2.143 1.00 33.11 C ATOM 647 O ALA A 41 1.624 -8.319 -1.974 1.00 20.33 O ATOM 648 CB ALA A 41 2.020 -10.911 -0.221 1.00 30.43 C ATOM 0 H ALA A 41 0.287 -12.337 -1.302 1.00 50.33 H new ATOM 0 HA ALA A 41 0.277 -9.667 -0.228 1.00 53.44 H new ATOM 0 HB1 ALA A 41 2.699 -10.104 0.055 1.00 30.43 H new ATOM 0 HB2 ALA A 41 1.706 -11.444 0.677 1.00 30.43 H new ATOM 0 HB3 ALA A 41 2.530 -11.601 -0.893 1.00 30.43 H new ATOM 654 N ARG A 42 1.061 -10.027 -3.359 1.00 74.44 N ATOM 655 CA ARG A 42 1.326 -9.311 -4.624 1.00 54.15 C ATOM 656 C ARG A 42 0.209 -8.291 -4.891 1.00 11.43 C ATOM 657 O ARG A 42 0.485 -7.125 -5.209 1.00 72.42 O ATOM 658 CB ARG A 42 1.479 -10.325 -5.792 1.00 51.44 C ATOM 659 CG ARG A 42 1.911 -9.731 -7.155 1.00 14.23 C ATOM 660 CD ARG A 42 0.755 -9.181 -8.006 1.00 14.14 C ATOM 661 NE ARG A 42 -0.224 -10.231 -8.339 1.00 2.33 N ATOM 662 CZ ARG A 42 -1.303 -10.068 -9.125 1.00 51.50 C ATOM 663 NH1 ARG A 42 -1.583 -8.898 -9.677 1.00 2.13 N ATOM 664 NH2 ARG A 42 -2.107 -11.088 -9.348 1.00 34.20 N ATOM 0 H ARG A 42 0.762 -10.993 -3.493 1.00 74.44 H new ATOM 0 HA ARG A 42 2.264 -8.762 -4.544 1.00 54.15 H new ATOM 0 HB2 ARG A 42 2.210 -11.079 -5.499 1.00 51.44 H new ATOM 0 HB3 ARG A 42 0.527 -10.839 -5.927 1.00 51.44 H new ATOM 0 HG2 ARG A 42 2.628 -8.929 -6.977 1.00 14.23 H new ATOM 0 HG3 ARG A 42 2.430 -10.502 -7.725 1.00 14.23 H new ATOM 0 HD2 ARG A 42 0.256 -8.376 -7.466 1.00 14.14 H new ATOM 0 HD3 ARG A 42 1.153 -8.750 -8.925 1.00 14.14 H new ATOM 0 HE ARG A 42 -0.071 -11.157 -7.941 1.00 2.33 H new ATOM 0 HH11 ARG A 42 -0.975 -8.097 -9.510 1.00 2.13 H new ATOM 0 HH12 ARG A 42 -2.407 -8.798 -10.270 1.00 2.13 H new ATOM 0 HH21 ARG A 42 -1.909 -11.995 -8.925 1.00 34.20 H new ATOM 0 HH22 ARG A 42 -2.927 -10.970 -9.943 1.00 34.20 H new ATOM 678 N GLU A 43 -1.057 -8.750 -4.766 1.00 63.35 N ATOM 679 CA GLU A 43 -2.239 -7.874 -4.873 1.00 61.44 C ATOM 680 C GLU A 43 -2.186 -6.812 -3.773 1.00 74.32 C ATOM 681 O GLU A 43 -2.417 -5.631 -4.036 1.00 31.12 O ATOM 682 CB GLU A 43 -3.556 -8.689 -4.785 1.00 10.42 C ATOM 683 CG GLU A 43 -3.780 -9.661 -5.954 1.00 41.30 C ATOM 684 CD GLU A 43 -5.138 -10.381 -5.884 1.00 33.22 C ATOM 685 OE1 GLU A 43 -6.189 -9.697 -5.886 1.00 53.41 O ATOM 686 OE2 GLU A 43 -5.169 -11.627 -5.827 1.00 15.14 O ATOM 0 H GLU A 43 -1.284 -9.729 -4.590 1.00 63.35 H new ATOM 0 HA GLU A 43 -2.224 -7.386 -5.847 1.00 61.44 H new ATOM 0 HB2 GLU A 43 -3.558 -9.254 -3.853 1.00 10.42 H new ATOM 0 HB3 GLU A 43 -4.396 -7.996 -4.739 1.00 10.42 H new ATOM 0 HG2 GLU A 43 -3.714 -9.112 -6.894 1.00 41.30 H new ATOM 0 HG3 GLU A 43 -2.981 -10.403 -5.961 1.00 41.30 H new ATOM 693 N ALA A 44 -1.803 -7.264 -2.556 1.00 41.22 N ATOM 694 CA ALA A 44 -1.627 -6.404 -1.378 1.00 61.41 C ATOM 695 C ALA A 44 -0.678 -5.253 -1.689 1.00 15.51 C ATOM 696 O ALA A 44 -1.004 -4.097 -1.423 1.00 1.34 O ATOM 697 CB ALA A 44 -1.095 -7.219 -0.187 1.00 22.43 C ATOM 0 H ALA A 44 -1.607 -8.248 -2.370 1.00 41.22 H new ATOM 0 HA ALA A 44 -2.600 -5.991 -1.112 1.00 61.41 H new ATOM 0 HB1 ALA A 44 -0.971 -6.564 0.676 1.00 22.43 H new ATOM 0 HB2 ALA A 44 -1.803 -8.011 0.057 1.00 22.43 H new ATOM 0 HB3 ALA A 44 -0.133 -7.660 -0.449 1.00 22.43 H new ATOM 703 N ALA A 45 0.469 -5.599 -2.306 1.00 3.22 N ATOM 704 CA ALA A 45 1.513 -4.639 -2.692 1.00 53.05 C ATOM 705 C ALA A 45 0.959 -3.554 -3.643 1.00 21.33 C ATOM 706 O ALA A 45 1.330 -2.383 -3.532 1.00 54.23 O ATOM 707 CB ALA A 45 2.688 -5.386 -3.343 1.00 72.24 C ATOM 0 H ALA A 45 0.695 -6.563 -2.551 1.00 3.22 H new ATOM 0 HA ALA A 45 1.865 -4.133 -1.793 1.00 53.05 H new ATOM 0 HB1 ALA A 45 3.460 -4.672 -3.628 1.00 72.24 H new ATOM 0 HB2 ALA A 45 3.101 -6.103 -2.634 1.00 72.24 H new ATOM 0 HB3 ALA A 45 2.337 -5.914 -4.230 1.00 72.24 H new ATOM 713 N GLU A 46 0.070 -3.965 -4.567 1.00 3.10 N ATOM 714 CA GLU A 46 -0.582 -3.049 -5.530 1.00 34.24 C ATOM 715 C GLU A 46 -1.561 -2.096 -4.830 1.00 23.42 C ATOM 716 O GLU A 46 -1.682 -0.930 -5.213 1.00 64.30 O ATOM 717 CB GLU A 46 -1.324 -3.840 -6.631 1.00 24.43 C ATOM 718 CG GLU A 46 -0.413 -4.715 -7.507 1.00 22.55 C ATOM 719 CD GLU A 46 -1.088 -5.317 -8.744 1.00 74.35 C ATOM 720 OE1 GLU A 46 -2.122 -4.788 -9.212 1.00 73.33 O ATOM 721 OE2 GLU A 46 -0.564 -6.308 -9.287 1.00 34.53 O ATOM 0 H GLU A 46 -0.218 -4.938 -4.669 1.00 3.10 H new ATOM 0 HA GLU A 46 0.208 -2.455 -5.989 1.00 34.24 H new ATOM 0 HB2 GLU A 46 -2.075 -4.475 -6.162 1.00 24.43 H new ATOM 0 HB3 GLU A 46 -1.856 -3.136 -7.271 1.00 24.43 H new ATOM 0 HG2 GLU A 46 0.438 -4.116 -7.831 1.00 22.55 H new ATOM 0 HG3 GLU A 46 -0.017 -5.527 -6.896 1.00 22.55 H new ATOM 728 N TYR A 47 -2.258 -2.614 -3.816 1.00 33.41 N ATOM 729 CA TYR A 47 -3.229 -1.843 -3.030 1.00 42.43 C ATOM 730 C TYR A 47 -2.529 -0.868 -2.071 1.00 14.03 C ATOM 731 O TYR A 47 -3.057 0.212 -1.788 1.00 43.43 O ATOM 732 CB TYR A 47 -4.181 -2.797 -2.270 1.00 75.52 C ATOM 733 CG TYR A 47 -5.205 -3.468 -3.179 1.00 52.23 C ATOM 734 CD1 TYR A 47 -6.185 -2.706 -3.801 1.00 24.32 C ATOM 735 CD2 TYR A 47 -5.194 -4.839 -3.426 1.00 23.32 C ATOM 736 CE1 TYR A 47 -7.117 -3.280 -4.636 1.00 24.10 C ATOM 737 CE2 TYR A 47 -6.122 -5.423 -4.262 1.00 64.22 C ATOM 738 CZ TYR A 47 -7.080 -4.638 -4.866 1.00 42.20 C ATOM 739 OH TYR A 47 -8.003 -5.215 -5.709 1.00 2.22 O ATOM 0 H TYR A 47 -2.166 -3.584 -3.514 1.00 33.41 H new ATOM 0 HA TYR A 47 -3.824 -1.242 -3.718 1.00 42.43 H new ATOM 0 HB2 TYR A 47 -3.592 -3.564 -1.767 1.00 75.52 H new ATOM 0 HB3 TYR A 47 -4.704 -2.237 -1.494 1.00 75.52 H new ATOM 0 HD1 TYR A 47 -6.217 -1.641 -3.626 1.00 24.32 H new ATOM 0 HD2 TYR A 47 -4.444 -5.456 -2.954 1.00 23.32 H new ATOM 0 HE1 TYR A 47 -7.873 -2.669 -5.108 1.00 24.10 H new ATOM 0 HE2 TYR A 47 -6.098 -6.488 -4.442 1.00 64.22 H new ATOM 0 HH TYR A 47 -7.838 -6.179 -5.764 1.00 2.22 H new ATOM 749 N PHE A 48 -1.337 -1.262 -1.591 1.00 63.54 N ATOM 750 CA PHE A 48 -0.478 -0.397 -0.765 1.00 11.53 C ATOM 751 C PHE A 48 0.120 0.721 -1.625 1.00 62.12 C ATOM 752 O PHE A 48 0.303 1.841 -1.151 1.00 51.22 O ATOM 753 CB PHE A 48 0.664 -1.213 -0.100 1.00 33.52 C ATOM 754 CG PHE A 48 0.204 -2.284 0.884 1.00 13.00 C ATOM 755 CD1 PHE A 48 -0.876 -2.057 1.729 1.00 60.51 C ATOM 756 CD2 PHE A 48 0.860 -3.515 0.975 1.00 52.32 C ATOM 757 CE1 PHE A 48 -1.290 -3.014 2.624 1.00 55.14 C ATOM 758 CE2 PHE A 48 0.442 -4.478 1.874 1.00 74.21 C ATOM 759 CZ PHE A 48 -0.632 -4.226 2.698 1.00 14.32 C ATOM 0 H PHE A 48 -0.943 -2.187 -1.764 1.00 63.54 H new ATOM 0 HA PHE A 48 -1.093 0.038 0.023 1.00 11.53 H new ATOM 0 HB2 PHE A 48 1.253 -1.690 -0.883 1.00 33.52 H new ATOM 0 HB3 PHE A 48 1.327 -0.523 0.422 1.00 33.52 H new ATOM 0 HD1 PHE A 48 -1.398 -1.113 1.681 1.00 60.51 H new ATOM 0 HD2 PHE A 48 1.705 -3.716 0.334 1.00 52.32 H new ATOM 0 HE1 PHE A 48 -2.132 -2.818 3.271 1.00 55.14 H new ATOM 0 HE2 PHE A 48 0.957 -5.426 1.930 1.00 74.21 H new ATOM 0 HZ PHE A 48 -0.960 -4.976 3.402 1.00 14.32 H new ATOM 769 N PHE A 49 0.414 0.395 -2.898 1.00 50.54 N ATOM 770 CA PHE A 49 0.995 1.350 -3.849 1.00 74.20 C ATOM 771 C PHE A 49 -0.024 2.438 -4.214 1.00 34.20 C ATOM 772 O PHE A 49 0.264 3.625 -4.093 1.00 1.23 O ATOM 773 CB PHE A 49 1.491 0.623 -5.129 1.00 41.30 C ATOM 774 CG PHE A 49 2.257 1.536 -6.080 1.00 14.25 C ATOM 775 CD1 PHE A 49 3.500 2.025 -5.707 1.00 4.21 C ATOM 776 CD2 PHE A 49 1.751 1.915 -7.324 1.00 33.53 C ATOM 777 CE1 PHE A 49 4.213 2.857 -6.531 1.00 31.11 C ATOM 778 CE2 PHE A 49 2.475 2.761 -8.155 1.00 54.33 C ATOM 779 CZ PHE A 49 3.709 3.225 -7.757 1.00 71.21 C ATOM 0 H PHE A 49 0.255 -0.533 -3.290 1.00 50.54 H new ATOM 0 HA PHE A 49 1.852 1.824 -3.370 1.00 74.20 H new ATOM 0 HB2 PHE A 49 2.132 -0.210 -4.840 1.00 41.30 H new ATOM 0 HB3 PHE A 49 0.634 0.199 -5.653 1.00 41.30 H new ATOM 0 HD1 PHE A 49 3.914 1.745 -4.750 1.00 4.21 H new ATOM 0 HD2 PHE A 49 0.787 1.547 -7.644 1.00 33.53 H new ATOM 0 HE1 PHE A 49 5.178 3.226 -6.215 1.00 31.11 H new ATOM 0 HE2 PHE A 49 2.070 3.054 -9.112 1.00 54.33 H new ATOM 0 HZ PHE A 49 4.279 3.875 -8.405 1.00 71.21 H new ATOM 789 N ARG A 50 -1.218 1.999 -4.639 1.00 24.33 N ATOM 790 CA ARG A 50 -2.309 2.890 -5.079 1.00 41.13 C ATOM 791 C ARG A 50 -2.862 3.721 -3.906 1.00 41.55 C ATOM 792 O ARG A 50 -3.337 4.847 -4.107 1.00 12.55 O ATOM 793 CB ARG A 50 -3.412 2.064 -5.785 1.00 5.43 C ATOM 794 CG ARG A 50 -2.931 1.413 -7.099 1.00 43.42 C ATOM 795 CD ARG A 50 -3.973 0.491 -7.750 1.00 34.32 C ATOM 796 NE ARG A 50 -3.453 -0.080 -9.010 1.00 54.03 N ATOM 797 CZ ARG A 50 -3.292 -1.390 -9.266 1.00 52.14 C ATOM 798 NH1 ARG A 50 -3.618 -2.311 -8.365 1.00 32.20 N ATOM 799 NH2 ARG A 50 -2.781 -1.768 -10.427 1.00 45.13 N ATOM 0 H ARG A 50 -1.458 1.009 -4.688 1.00 24.33 H new ATOM 0 HA ARG A 50 -1.912 3.604 -5.800 1.00 41.13 H new ATOM 0 HB2 ARG A 50 -3.764 1.286 -5.108 1.00 5.43 H new ATOM 0 HB3 ARG A 50 -4.263 2.711 -5.997 1.00 5.43 H new ATOM 0 HG2 ARG A 50 -2.662 2.198 -7.806 1.00 43.42 H new ATOM 0 HG3 ARG A 50 -2.026 0.840 -6.900 1.00 43.42 H new ATOM 0 HD2 ARG A 50 -4.235 -0.313 -7.062 1.00 34.32 H new ATOM 0 HD3 ARG A 50 -4.887 1.051 -7.949 1.00 34.32 H new ATOM 0 HE ARG A 50 -3.194 0.575 -9.748 1.00 54.03 H new ATOM 0 HH11 ARG A 50 -3.997 -2.029 -7.461 1.00 32.20 H new ATOM 0 HH12 ARG A 50 -3.489 -3.300 -8.577 1.00 32.20 H new ATOM 0 HH21 ARG A 50 -2.513 -1.068 -11.119 1.00 45.13 H new ATOM 0 HH22 ARG A 50 -2.655 -2.760 -10.630 1.00 45.13 H new ATOM 813 N ALA A 51 -2.793 3.146 -2.691 1.00 5.41 N ATOM 814 CA ALA A 51 -3.067 3.875 -1.449 1.00 1.44 C ATOM 815 C ALA A 51 -2.037 5.001 -1.276 1.00 13.54 C ATOM 816 O ALA A 51 -2.403 6.170 -1.099 1.00 13.42 O ATOM 817 CB ALA A 51 -3.018 2.926 -0.246 1.00 12.41 C ATOM 0 H ALA A 51 -2.546 2.167 -2.548 1.00 5.41 H new ATOM 0 HA ALA A 51 -4.067 4.306 -1.505 1.00 1.44 H new ATOM 0 HB1 ALA A 51 -3.224 3.485 0.667 1.00 12.41 H new ATOM 0 HB2 ALA A 51 -3.767 2.144 -0.369 1.00 12.41 H new ATOM 0 HB3 ALA A 51 -2.028 2.474 -0.179 1.00 12.41 H new ATOM 823 N ALA A 52 -0.751 4.616 -1.394 1.00 32.34 N ATOM 824 CA ALA A 52 0.401 5.511 -1.197 1.00 23.22 C ATOM 825 C ALA A 52 0.384 6.701 -2.177 1.00 42.54 C ATOM 826 O ALA A 52 0.811 7.798 -1.817 1.00 12.33 O ATOM 827 CB ALA A 52 1.710 4.714 -1.334 1.00 75.33 C ATOM 0 H ALA A 52 -0.482 3.661 -1.632 1.00 32.34 H new ATOM 0 HA ALA A 52 0.334 5.926 -0.191 1.00 23.22 H new ATOM 0 HB1 ALA A 52 2.559 5.381 -1.187 1.00 75.33 H new ATOM 0 HB2 ALA A 52 1.735 3.924 -0.583 1.00 75.33 H new ATOM 0 HB3 ALA A 52 1.764 4.271 -2.329 1.00 75.33 H new ATOM 833 N ILE A 53 -0.129 6.461 -3.405 1.00 34.40 N ATOM 834 CA ILE A 53 -0.291 7.499 -4.442 1.00 1.05 C ATOM 835 C ILE A 53 -1.182 8.649 -3.920 1.00 32.30 C ATOM 836 O ILE A 53 -0.795 9.815 -3.999 1.00 24.14 O ATOM 837 CB ILE A 53 -0.898 6.900 -5.777 1.00 73.21 C ATOM 838 CG1 ILE A 53 0.057 5.820 -6.383 1.00 40.53 C ATOM 839 CG2 ILE A 53 -1.198 8.010 -6.813 1.00 42.45 C ATOM 840 CD1 ILE A 53 -0.481 5.069 -7.592 1.00 1.01 C ATOM 0 H ILE A 53 -0.443 5.537 -3.703 1.00 34.40 H new ATOM 0 HA ILE A 53 0.699 7.892 -4.672 1.00 1.05 H new ATOM 0 HB ILE A 53 -1.844 6.421 -5.524 1.00 73.21 H new ATOM 0 HG12 ILE A 53 0.991 6.305 -6.666 1.00 40.53 H new ATOM 0 HG13 ILE A 53 0.297 5.095 -5.605 1.00 40.53 H new ATOM 0 HG21 ILE A 53 -1.613 7.562 -7.716 1.00 42.45 H new ATOM 0 HG22 ILE A 53 -1.917 8.714 -6.394 1.00 42.45 H new ATOM 0 HG23 ILE A 53 -0.276 8.536 -7.060 1.00 42.45 H new ATOM 0 HD11 ILE A 53 0.261 4.346 -7.931 1.00 1.01 H new ATOM 0 HD12 ILE A 53 -1.398 4.547 -7.318 1.00 1.01 H new ATOM 0 HD13 ILE A 53 -0.692 5.775 -8.395 1.00 1.01 H new ATOM 852 N VAL A 54 -2.347 8.291 -3.348 1.00 33.32 N ATOM 853 CA VAL A 54 -3.308 9.265 -2.793 1.00 75.54 C ATOM 854 C VAL A 54 -2.669 10.080 -1.650 1.00 31.34 C ATOM 855 O VAL A 54 -2.763 11.313 -1.631 1.00 43.40 O ATOM 856 CB VAL A 54 -4.612 8.555 -2.278 1.00 23.23 C ATOM 857 CG1 VAL A 54 -5.560 9.559 -1.578 1.00 22.14 C ATOM 858 CG2 VAL A 54 -5.320 7.814 -3.439 1.00 52.20 C ATOM 0 H VAL A 54 -2.649 7.321 -3.257 1.00 33.32 H new ATOM 0 HA VAL A 54 -3.582 9.944 -3.600 1.00 75.54 H new ATOM 0 HB VAL A 54 -4.326 7.813 -1.532 1.00 23.23 H new ATOM 0 HG11 VAL A 54 -6.453 9.037 -1.233 1.00 22.14 H new ATOM 0 HG12 VAL A 54 -5.050 10.007 -0.725 1.00 22.14 H new ATOM 0 HG13 VAL A 54 -5.846 10.341 -2.282 1.00 22.14 H new ATOM 0 HG21 VAL A 54 -6.221 7.328 -3.065 1.00 52.20 H new ATOM 0 HG22 VAL A 54 -5.590 8.529 -4.216 1.00 52.20 H new ATOM 0 HG23 VAL A 54 -4.648 7.063 -3.854 1.00 52.20 H new ATOM 868 N PHE A 55 -1.997 9.370 -0.728 1.00 14.11 N ATOM 869 CA PHE A 55 -1.337 9.991 0.438 1.00 42.13 C ATOM 870 C PHE A 55 -0.179 10.910 0.014 1.00 63.11 C ATOM 871 O PHE A 55 0.132 11.878 0.701 1.00 55.21 O ATOM 872 CB PHE A 55 -0.814 8.909 1.410 1.00 53.13 C ATOM 873 CG PHE A 55 -1.905 8.058 2.058 1.00 74.21 C ATOM 874 CD1 PHE A 55 -2.870 8.644 2.871 1.00 72.53 C ATOM 875 CD2 PHE A 55 -1.947 6.675 1.882 1.00 20.10 C ATOM 876 CE1 PHE A 55 -3.843 7.875 3.483 1.00 12.11 C ATOM 877 CE2 PHE A 55 -2.922 5.909 2.488 1.00 11.31 C ATOM 878 CZ PHE A 55 -3.865 6.510 3.291 1.00 44.02 C ATOM 0 H PHE A 55 -1.895 8.356 -0.767 1.00 14.11 H new ATOM 0 HA PHE A 55 -2.086 10.599 0.945 1.00 42.13 H new ATOM 0 HB2 PHE A 55 -0.132 8.253 0.870 1.00 53.13 H new ATOM 0 HB3 PHE A 55 -0.235 9.394 2.196 1.00 53.13 H new ATOM 0 HD1 PHE A 55 -2.859 9.713 3.026 1.00 72.53 H new ATOM 0 HD2 PHE A 55 -1.204 6.196 1.261 1.00 20.10 H new ATOM 0 HE1 PHE A 55 -4.586 8.344 4.111 1.00 12.11 H new ATOM 0 HE2 PHE A 55 -2.945 4.840 2.333 1.00 11.31 H new ATOM 0 HZ PHE A 55 -4.624 5.911 3.772 1.00 44.02 H new ATOM 888 N TYR A 56 0.448 10.590 -1.126 1.00 52.22 N ATOM 889 CA TYR A 56 1.557 11.375 -1.682 1.00 70.11 C ATOM 890 C TYR A 56 1.034 12.687 -2.310 1.00 13.13 C ATOM 891 O TYR A 56 1.623 13.759 -2.099 1.00 64.11 O ATOM 892 CB TYR A 56 2.327 10.531 -2.726 1.00 72.31 C ATOM 893 CG TYR A 56 3.478 11.279 -3.398 1.00 30.04 C ATOM 894 CD1 TYR A 56 4.670 11.527 -2.716 1.00 64.33 C ATOM 895 CD2 TYR A 56 3.365 11.758 -4.706 1.00 5.04 C ATOM 896 CE1 TYR A 56 5.700 12.226 -3.309 1.00 63.52 C ATOM 897 CE2 TYR A 56 4.388 12.461 -5.298 1.00 65.53 C ATOM 898 CZ TYR A 56 5.557 12.685 -4.600 1.00 73.01 C ATOM 899 OH TYR A 56 6.583 13.401 -5.191 1.00 51.24 O ATOM 0 H TYR A 56 0.199 9.777 -1.690 1.00 52.22 H new ATOM 0 HA TYR A 56 2.241 11.640 -0.876 1.00 70.11 H new ATOM 0 HB2 TYR A 56 2.721 9.639 -2.239 1.00 72.31 H new ATOM 0 HB3 TYR A 56 1.629 10.193 -3.492 1.00 72.31 H new ATOM 0 HD1 TYR A 56 4.788 11.165 -1.705 1.00 64.33 H new ATOM 0 HD2 TYR A 56 2.458 11.573 -5.262 1.00 5.04 H new ATOM 0 HE1 TYR A 56 6.614 12.413 -2.764 1.00 63.52 H new ATOM 0 HE2 TYR A 56 4.277 12.836 -6.305 1.00 65.53 H new ATOM 0 HH TYR A 56 6.325 13.651 -6.103 1.00 51.24 H new ATOM 909 N LYS A 57 -0.052 12.576 -3.107 1.00 12.35 N ATOM 910 CA LYS A 57 -0.784 13.744 -3.663 1.00 72.43 C ATOM 911 C LYS A 57 -1.236 14.695 -2.545 1.00 31.50 C ATOM 912 O LYS A 57 -1.099 15.922 -2.651 1.00 41.24 O ATOM 913 CB LYS A 57 -2.041 13.282 -4.475 1.00 51.32 C ATOM 914 CG LYS A 57 -1.818 13.078 -5.983 1.00 33.32 C ATOM 915 CD LYS A 57 -0.870 11.906 -6.319 1.00 52.43 C ATOM 916 CE LYS A 57 -0.714 11.694 -7.832 1.00 34.34 C ATOM 917 NZ LYS A 57 -2.024 11.514 -8.518 1.00 54.23 N ATOM 0 H LYS A 57 -0.448 11.678 -3.384 1.00 12.35 H new ATOM 0 HA LYS A 57 -0.097 14.269 -4.327 1.00 72.43 H new ATOM 0 HB2 LYS A 57 -2.403 12.346 -4.049 1.00 51.32 H new ATOM 0 HB3 LYS A 57 -2.831 14.021 -4.339 1.00 51.32 H new ATOM 0 HG2 LYS A 57 -2.781 12.904 -6.463 1.00 33.32 H new ATOM 0 HG3 LYS A 57 -1.411 13.996 -6.408 1.00 33.32 H new ATOM 0 HD2 LYS A 57 0.109 12.096 -5.879 1.00 52.43 H new ATOM 0 HD3 LYS A 57 -1.252 10.992 -5.864 1.00 52.43 H new ATOM 0 HE2 LYS A 57 -0.195 12.549 -8.264 1.00 34.34 H new ATOM 0 HE3 LYS A 57 -0.090 10.819 -8.011 1.00 34.34 H new ATOM 0 HZ1 LYS A 57 -1.865 11.159 -9.483 1.00 54.23 H new ATOM 0 HZ2 LYS A 57 -2.602 10.831 -7.989 1.00 54.23 H new ATOM 0 HZ3 LYS A 57 -2.521 12.427 -8.562 1.00 54.23 H new ATOM 931 N GLU A 58 -1.771 14.101 -1.472 1.00 50.14 N ATOM 932 CA GLU A 58 -2.273 14.852 -0.314 1.00 24.24 C ATOM 933 C GLU A 58 -1.105 15.310 0.589 1.00 52.32 C ATOM 934 O GLU A 58 -1.271 16.192 1.443 1.00 21.14 O ATOM 935 CB GLU A 58 -3.282 13.970 0.475 1.00 4.31 C ATOM 936 CG GLU A 58 -4.003 14.706 1.618 1.00 14.14 C ATOM 937 CD GLU A 58 -4.990 13.842 2.402 1.00 11.44 C ATOM 938 OE1 GLU A 58 -4.609 12.740 2.833 1.00 22.24 O ATOM 939 OE2 GLU A 58 -6.151 14.269 2.601 1.00 54.13 O ATOM 0 H GLU A 58 -1.868 13.090 -1.381 1.00 50.14 H new ATOM 0 HA GLU A 58 -2.787 15.748 -0.661 1.00 24.24 H new ATOM 0 HB2 GLU A 58 -4.027 13.581 -0.219 1.00 4.31 H new ATOM 0 HB3 GLU A 58 -2.752 13.112 0.888 1.00 4.31 H new ATOM 0 HG2 GLU A 58 -3.257 15.100 2.308 1.00 14.14 H new ATOM 0 HG3 GLU A 58 -4.537 15.561 1.203 1.00 14.14 H new ATOM 946 N HIS A 59 0.087 14.717 0.342 1.00 40.12 N ATOM 947 CA HIS A 59 1.324 14.971 1.098 1.00 54.33 C ATOM 948 C HIS A 59 1.183 14.591 2.580 1.00 54.42 C ATOM 949 O HIS A 59 1.885 15.121 3.456 1.00 4.43 O ATOM 950 CB HIS A 59 1.835 16.422 0.901 1.00 75.41 C ATOM 951 CG HIS A 59 2.318 16.691 -0.495 1.00 63.35 C ATOM 952 ND1 HIS A 59 3.580 16.345 -0.921 1.00 33.12 N ATOM 953 CD2 HIS A 59 1.714 17.266 -1.552 1.00 32.25 C ATOM 954 CE1 HIS A 59 3.726 16.692 -2.179 1.00 33.31 C ATOM 955 NE2 HIS A 59 2.607 17.255 -2.586 1.00 72.22 N ATOM 0 H HIS A 59 0.212 14.035 -0.406 1.00 40.12 H new ATOM 0 HA HIS A 59 2.091 14.315 0.686 1.00 54.33 H new ATOM 0 HB2 HIS A 59 1.033 17.119 1.142 1.00 75.41 H new ATOM 0 HB3 HIS A 59 2.646 16.614 1.603 1.00 75.41 H new ATOM 0 HD1 HIS A 59 4.291 15.890 -0.349 1.00 33.12 H new ATOM 0 HD2 HIS A 59 0.710 17.662 -1.578 1.00 32.25 H new ATOM 0 HE1 HIS A 59 4.612 16.541 -2.778 1.00 33.31 H new ATOM 964 N ASP A 60 0.299 13.610 2.829 1.00 34.33 N ATOM 965 CA ASP A 60 0.160 12.965 4.128 1.00 43.22 C ATOM 966 C ASP A 60 1.258 11.903 4.251 1.00 72.43 C ATOM 967 O ASP A 60 1.089 10.745 3.842 1.00 44.32 O ATOM 968 CB ASP A 60 -1.253 12.350 4.303 1.00 72.42 C ATOM 969 CG ASP A 60 -1.428 11.623 5.652 1.00 44.14 C ATOM 970 OD1 ASP A 60 -1.262 12.269 6.714 1.00 2.21 O ATOM 971 OD2 ASP A 60 -1.742 10.416 5.662 1.00 34.22 O ATOM 0 H ASP A 60 -0.340 13.246 2.123 1.00 34.33 H new ATOM 0 HA ASP A 60 0.273 13.702 4.923 1.00 43.22 H new ATOM 0 HB2 ASP A 60 -2.000 13.140 4.222 1.00 72.42 H new ATOM 0 HB3 ASP A 60 -1.442 11.648 3.491 1.00 72.42 H new ATOM 976 N THR A 61 2.414 12.358 4.762 1.00 34.04 N ATOM 977 CA THR A 61 3.619 11.540 4.958 1.00 21.14 C ATOM 978 C THR A 61 3.348 10.318 5.873 1.00 61.20 C ATOM 979 O THR A 61 3.990 9.276 5.733 1.00 54.44 O ATOM 980 CB THR A 61 4.761 12.432 5.557 1.00 62.44 C ATOM 981 OG1 THR A 61 4.907 13.630 4.768 1.00 51.04 O ATOM 982 CG2 THR A 61 6.113 11.698 5.613 1.00 42.11 C ATOM 0 H THR A 61 2.538 13.327 5.056 1.00 34.04 H new ATOM 0 HA THR A 61 3.927 11.150 3.988 1.00 21.14 H new ATOM 0 HB THR A 61 4.473 12.678 6.579 1.00 62.44 H new ATOM 0 HG1 THR A 61 4.645 13.446 3.842 1.00 51.04 H new ATOM 0 HG21 THR A 61 6.869 12.360 6.036 1.00 42.11 H new ATOM 0 HG22 THR A 61 6.019 10.809 6.237 1.00 42.11 H new ATOM 0 HG23 THR A 61 6.410 11.404 4.606 1.00 42.11 H new ATOM 990 N ASP A 62 2.369 10.472 6.785 1.00 20.21 N ATOM 991 CA ASP A 62 1.989 9.446 7.768 1.00 13.41 C ATOM 992 C ASP A 62 1.415 8.189 7.080 1.00 44.15 C ATOM 993 O ASP A 62 1.939 7.079 7.255 1.00 65.44 O ATOM 994 CB ASP A 62 0.945 10.026 8.759 1.00 22.12 C ATOM 995 CG ASP A 62 0.461 8.987 9.790 1.00 45.33 C ATOM 996 OD1 ASP A 62 1.189 8.733 10.763 1.00 54.24 O ATOM 997 OD2 ASP A 62 -0.632 8.402 9.613 1.00 64.33 O ATOM 0 H ASP A 62 1.814 11.325 6.858 1.00 20.21 H new ATOM 0 HA ASP A 62 2.887 9.152 8.311 1.00 13.41 H new ATOM 0 HB2 ASP A 62 1.381 10.876 9.284 1.00 22.12 H new ATOM 0 HB3 ASP A 62 0.089 10.402 8.199 1.00 22.12 H new ATOM 1002 N GLY A 63 0.335 8.391 6.309 1.00 61.53 N ATOM 1003 CA GLY A 63 -0.349 7.301 5.612 1.00 25.11 C ATOM 1004 C GLY A 63 0.459 6.756 4.456 1.00 21.22 C ATOM 1005 O GLY A 63 0.349 5.569 4.119 1.00 64.43 O ATOM 0 H GLY A 63 -0.083 9.309 6.155 1.00 61.53 H new ATOM 0 HA2 GLY A 63 -0.556 6.496 6.318 1.00 25.11 H new ATOM 0 HA3 GLY A 63 -1.311 7.657 5.243 1.00 25.11 H new ATOM 1009 N LEU A 64 1.251 7.644 3.829 1.00 41.42 N ATOM 1010 CA LEU A 64 2.219 7.265 2.793 1.00 41.14 C ATOM 1011 C LEU A 64 3.240 6.289 3.377 1.00 12.43 C ATOM 1012 O LEU A 64 3.575 5.300 2.739 1.00 22.40 O ATOM 1013 CB LEU A 64 2.942 8.522 2.239 1.00 4.10 C ATOM 1014 CG LEU A 64 4.078 8.262 1.193 1.00 72.23 C ATOM 1015 CD1 LEU A 64 3.547 7.631 -0.097 1.00 51.10 C ATOM 1016 CD2 LEU A 64 4.852 9.538 0.879 1.00 55.01 C ATOM 0 H LEU A 64 1.235 8.644 4.029 1.00 41.42 H new ATOM 0 HA LEU A 64 1.687 6.783 1.973 1.00 41.14 H new ATOM 0 HB2 LEU A 64 2.196 9.172 1.781 1.00 4.10 H new ATOM 0 HB3 LEU A 64 3.369 9.070 3.079 1.00 4.10 H new ATOM 0 HG LEU A 64 4.761 7.548 1.653 1.00 72.23 H new ATOM 0 HD11 LEU A 64 4.373 7.470 -0.790 1.00 51.10 H new ATOM 0 HD12 LEU A 64 3.075 6.676 0.133 1.00 51.10 H new ATOM 0 HD13 LEU A 64 2.815 8.297 -0.553 1.00 51.10 H new ATOM 0 HD21 LEU A 64 5.632 9.320 0.150 1.00 55.01 H new ATOM 0 HD22 LEU A 64 4.172 10.285 0.470 1.00 55.01 H new ATOM 0 HD23 LEU A 64 5.306 9.922 1.792 1.00 55.01 H new ATOM 1028 N ARG A 65 3.698 6.582 4.609 1.00 3.12 N ATOM 1029 CA ARG A 65 4.696 5.771 5.323 1.00 10.41 C ATOM 1030 C ARG A 65 4.098 4.417 5.718 1.00 54.34 C ATOM 1031 O ARG A 65 4.783 3.399 5.661 1.00 31.12 O ATOM 1032 CB ARG A 65 5.212 6.517 6.578 1.00 0.32 C ATOM 1033 CG ARG A 65 6.455 5.881 7.233 1.00 5.34 C ATOM 1034 CD ARG A 65 6.995 6.709 8.404 1.00 31.21 C ATOM 1035 NE ARG A 65 8.336 6.263 8.807 1.00 34.13 N ATOM 1036 CZ ARG A 65 9.050 6.771 9.816 1.00 1.24 C ATOM 1037 NH1 ARG A 65 8.560 7.758 10.560 1.00 31.25 N ATOM 1038 NH2 ARG A 65 10.264 6.298 10.056 1.00 21.41 N ATOM 0 H ARG A 65 3.382 7.395 5.138 1.00 3.12 H new ATOM 0 HA ARG A 65 5.540 5.600 4.654 1.00 10.41 H new ATOM 0 HB2 ARG A 65 5.448 7.545 6.303 1.00 0.32 H new ATOM 0 HB3 ARG A 65 4.410 6.560 7.315 1.00 0.32 H new ATOM 0 HG2 ARG A 65 6.203 4.881 7.586 1.00 5.34 H new ATOM 0 HG3 ARG A 65 7.238 5.766 6.483 1.00 5.34 H new ATOM 0 HD2 ARG A 65 7.030 7.761 8.121 1.00 31.21 H new ATOM 0 HD3 ARG A 65 6.314 6.629 9.251 1.00 31.21 H new ATOM 0 HE ARG A 65 8.757 5.503 8.272 1.00 34.13 H new ATOM 0 HH11 ARG A 65 7.632 8.133 10.363 1.00 31.25 H new ATOM 0 HH12 ARG A 65 9.112 8.140 11.328 1.00 31.25 H new ATOM 0 HH21 ARG A 65 10.646 5.553 9.473 1.00 21.41 H new ATOM 0 HH22 ARG A 65 10.817 6.679 10.824 1.00 21.41 H new ATOM 1052 N ARG A 66 2.815 4.431 6.123 1.00 52.21 N ATOM 1053 CA ARG A 66 2.065 3.207 6.456 1.00 70.44 C ATOM 1054 C ARG A 66 1.967 2.279 5.231 1.00 74.44 C ATOM 1055 O ARG A 66 2.244 1.079 5.329 1.00 42.52 O ATOM 1056 CB ARG A 66 0.645 3.565 7.004 1.00 45.20 C ATOM 1057 CG ARG A 66 0.602 3.917 8.509 1.00 33.13 C ATOM 1058 CD ARG A 66 1.017 2.714 9.383 1.00 40.33 C ATOM 1059 NE ARG A 66 0.899 2.954 10.827 1.00 43.41 N ATOM 1060 CZ ARG A 66 1.116 2.021 11.772 1.00 54.33 C ATOM 1061 NH1 ARG A 66 1.468 0.772 11.442 1.00 14.33 N ATOM 1062 NH2 ARG A 66 0.985 2.348 13.047 1.00 60.10 N ATOM 0 H ARG A 66 2.271 5.288 6.228 1.00 52.21 H new ATOM 0 HA ARG A 66 2.605 2.674 7.239 1.00 70.44 H new ATOM 0 HB2 ARG A 66 0.254 4.409 6.436 1.00 45.20 H new ATOM 0 HB3 ARG A 66 -0.022 2.722 6.823 1.00 45.20 H new ATOM 0 HG2 ARG A 66 1.267 4.758 8.706 1.00 33.13 H new ATOM 0 HG3 ARG A 66 -0.404 4.236 8.781 1.00 33.13 H new ATOM 0 HD2 ARG A 66 0.401 1.855 9.117 1.00 40.33 H new ATOM 0 HD3 ARG A 66 2.049 2.450 9.152 1.00 40.33 H new ATOM 0 HE ARG A 66 0.635 3.890 11.134 1.00 43.41 H new ATOM 0 HH11 ARG A 66 1.576 0.515 10.461 1.00 14.33 H new ATOM 0 HH12 ARG A 66 1.628 0.078 12.172 1.00 14.33 H new ATOM 0 HH21 ARG A 66 0.722 3.299 13.305 1.00 60.10 H new ATOM 0 HH22 ARG A 66 1.147 1.649 13.772 1.00 60.10 H new ATOM 1076 N ALA A 67 1.607 2.870 4.082 1.00 65.24 N ATOM 1077 CA ALA A 67 1.420 2.143 2.818 1.00 55.35 C ATOM 1078 C ALA A 67 2.772 1.713 2.214 1.00 42.45 C ATOM 1079 O ALA A 67 2.874 0.641 1.613 1.00 12.22 O ATOM 1080 CB ALA A 67 0.626 3.022 1.846 1.00 14.23 C ATOM 0 H ALA A 67 1.436 3.873 4.003 1.00 65.24 H new ATOM 0 HA ALA A 67 0.858 1.229 3.010 1.00 55.35 H new ATOM 0 HB1 ALA A 67 0.484 2.489 0.906 1.00 14.23 H new ATOM 0 HB2 ALA A 67 -0.346 3.258 2.280 1.00 14.23 H new ATOM 0 HB3 ALA A 67 1.174 3.945 1.660 1.00 14.23 H new ATOM 1086 N ALA A 68 3.813 2.543 2.431 1.00 21.12 N ATOM 1087 CA ALA A 68 5.174 2.295 1.918 1.00 71.02 C ATOM 1088 C ALA A 68 5.835 1.147 2.680 1.00 41.22 C ATOM 1089 O ALA A 68 6.440 0.257 2.074 1.00 55.23 O ATOM 1090 CB ALA A 68 6.038 3.564 2.031 1.00 22.32 C ATOM 0 H ALA A 68 3.732 3.406 2.969 1.00 21.12 H new ATOM 0 HA ALA A 68 5.092 2.019 0.867 1.00 71.02 H new ATOM 0 HB1 ALA A 68 7.037 3.359 1.647 1.00 22.32 H new ATOM 0 HB2 ALA A 68 5.584 4.366 1.450 1.00 22.32 H new ATOM 0 HB3 ALA A 68 6.106 3.866 3.076 1.00 22.32 H new ATOM 1096 N LYS A 69 5.692 1.197 4.015 1.00 30.41 N ATOM 1097 CA LYS A 69 6.260 0.202 4.936 1.00 71.50 C ATOM 1098 C LYS A 69 5.618 -1.165 4.696 1.00 51.04 C ATOM 1099 O LYS A 69 6.302 -2.186 4.666 1.00 55.32 O ATOM 1100 CB LYS A 69 6.041 0.657 6.399 1.00 63.10 C ATOM 1101 CG LYS A 69 6.701 -0.234 7.473 1.00 43.23 C ATOM 1102 CD LYS A 69 6.542 0.340 8.900 1.00 53.42 C ATOM 1103 CE LYS A 69 7.177 1.732 9.061 1.00 25.34 C ATOM 1104 NZ LYS A 69 7.076 2.236 10.461 1.00 22.44 N ATOM 0 H LYS A 69 5.174 1.937 4.488 1.00 30.41 H new ATOM 0 HA LYS A 69 7.331 0.115 4.753 1.00 71.50 H new ATOM 0 HB2 LYS A 69 6.423 1.672 6.508 1.00 63.10 H new ATOM 0 HB3 LYS A 69 4.969 0.698 6.593 1.00 63.10 H new ATOM 0 HG2 LYS A 69 6.260 -1.230 7.435 1.00 43.23 H new ATOM 0 HG3 LYS A 69 7.761 -0.346 7.246 1.00 43.23 H new ATOM 0 HD2 LYS A 69 5.482 0.400 9.146 1.00 53.42 H new ATOM 0 HD3 LYS A 69 6.997 -0.346 9.615 1.00 53.42 H new ATOM 0 HE2 LYS A 69 8.226 1.688 8.767 1.00 25.34 H new ATOM 0 HE3 LYS A 69 6.686 2.434 8.387 1.00 25.34 H new ATOM 0 HZ1 LYS A 69 7.516 3.176 10.524 1.00 22.44 H new ATOM 0 HZ2 LYS A 69 6.075 2.303 10.734 1.00 22.44 H new ATOM 0 HZ3 LYS A 69 7.567 1.580 11.102 1.00 22.44 H new ATOM 1118 N SER A 70 4.296 -1.158 4.489 1.00 12.15 N ATOM 1119 CA SER A 70 3.538 -2.374 4.187 1.00 4.04 C ATOM 1120 C SER A 70 3.901 -2.935 2.797 1.00 51.45 C ATOM 1121 O SER A 70 3.911 -4.148 2.614 1.00 3.34 O ATOM 1122 CB SER A 70 2.034 -2.083 4.284 1.00 32.42 C ATOM 1123 OG SER A 70 1.675 -1.675 5.597 1.00 12.24 O ATOM 0 H SER A 70 3.726 -0.313 4.526 1.00 12.15 H new ATOM 0 HA SER A 70 3.801 -3.136 4.921 1.00 4.04 H new ATOM 0 HB2 SER A 70 1.765 -1.303 3.571 1.00 32.42 H new ATOM 0 HB3 SER A 70 1.470 -2.974 4.010 1.00 32.42 H new ATOM 0 HG SER A 70 1.815 -0.710 5.689 1.00 12.24 H new ATOM 1129 N LEU A 71 4.209 -2.036 1.839 1.00 52.22 N ATOM 1130 CA LEU A 71 4.528 -2.413 0.440 1.00 55.01 C ATOM 1131 C LEU A 71 5.862 -3.190 0.380 1.00 21.55 C ATOM 1132 O LEU A 71 5.914 -4.314 -0.131 1.00 4.45 O ATOM 1133 CB LEU A 71 4.600 -1.135 -0.457 1.00 30.43 C ATOM 1134 CG LEU A 71 4.022 -1.247 -1.903 1.00 44.14 C ATOM 1135 CD1 LEU A 71 4.129 0.089 -2.632 1.00 62.13 C ATOM 1136 CD2 LEU A 71 4.676 -2.366 -2.733 1.00 22.21 C ATOM 0 H LEU A 71 4.244 -1.031 2.009 1.00 52.22 H new ATOM 0 HA LEU A 71 3.737 -3.061 0.064 1.00 55.01 H new ATOM 0 HB2 LEU A 71 4.073 -0.331 0.057 1.00 30.43 H new ATOM 0 HB3 LEU A 71 5.645 -0.833 -0.533 1.00 30.43 H new ATOM 0 HG LEU A 71 2.971 -1.515 -1.793 1.00 44.14 H new ATOM 0 HD11 LEU A 71 3.721 -0.011 -3.638 1.00 62.13 H new ATOM 0 HD12 LEU A 71 3.567 0.847 -2.086 1.00 62.13 H new ATOM 0 HD13 LEU A 71 5.176 0.387 -2.694 1.00 62.13 H new ATOM 0 HD21 LEU A 71 4.229 -2.390 -3.727 1.00 22.21 H new ATOM 0 HD22 LEU A 71 5.746 -2.176 -2.820 1.00 22.21 H new ATOM 0 HD23 LEU A 71 4.517 -3.325 -2.240 1.00 22.21 H new ATOM 1148 N LYS A 72 6.912 -2.572 0.942 1.00 40.14 N ATOM 1149 CA LYS A 72 8.293 -3.091 0.877 1.00 3.33 C ATOM 1150 C LYS A 72 8.449 -4.427 1.636 1.00 74.41 C ATOM 1151 O LYS A 72 9.244 -5.281 1.235 1.00 74.13 O ATOM 1152 CB LYS A 72 9.290 -2.016 1.394 1.00 33.11 C ATOM 1153 CG LYS A 72 9.040 -1.544 2.849 1.00 74.42 C ATOM 1154 CD LYS A 72 9.898 -0.323 3.253 1.00 10.45 C ATOM 1155 CE LYS A 72 11.402 -0.631 3.300 1.00 60.14 C ATOM 1156 NZ LYS A 72 11.729 -1.650 4.335 1.00 34.22 N ATOM 0 H LYS A 72 6.830 -1.695 1.457 1.00 40.14 H new ATOM 0 HA LYS A 72 8.525 -3.305 -0.166 1.00 3.33 H new ATOM 0 HB2 LYS A 72 10.302 -2.416 1.325 1.00 33.11 H new ATOM 0 HB3 LYS A 72 9.244 -1.150 0.733 1.00 33.11 H new ATOM 0 HG2 LYS A 72 7.986 -1.293 2.966 1.00 74.42 H new ATOM 0 HG3 LYS A 72 9.249 -2.368 3.532 1.00 74.42 H new ATOM 0 HD2 LYS A 72 9.721 0.487 2.546 1.00 10.45 H new ATOM 0 HD3 LYS A 72 9.575 0.032 4.232 1.00 10.45 H new ATOM 0 HE2 LYS A 72 11.730 -0.987 2.324 1.00 60.14 H new ATOM 0 HE3 LYS A 72 11.954 0.286 3.507 1.00 60.14 H new ATOM 0 HZ1 LYS A 72 12.760 -1.780 4.381 1.00 34.22 H new ATOM 0 HZ2 LYS A 72 11.379 -1.330 5.260 1.00 34.22 H new ATOM 0 HZ3 LYS A 72 11.277 -2.553 4.088 1.00 34.22 H new ATOM 1170 N GLU A 73 7.672 -4.597 2.717 1.00 15.32 N ATOM 1171 CA GLU A 73 7.709 -5.820 3.542 1.00 1.20 C ATOM 1172 C GLU A 73 6.734 -6.886 2.990 1.00 22.05 C ATOM 1173 O GLU A 73 6.836 -8.066 3.352 1.00 12.33 O ATOM 1174 CB GLU A 73 7.398 -5.480 5.023 1.00 63.44 C ATOM 1175 CG GLU A 73 8.301 -4.376 5.621 1.00 33.22 C ATOM 1176 CD GLU A 73 9.814 -4.684 5.571 1.00 43.14 C ATOM 1177 OE1 GLU A 73 10.488 -4.319 4.577 1.00 33.05 O ATOM 1178 OE2 GLU A 73 10.343 -5.271 6.539 1.00 73.54 O ATOM 0 H GLU A 73 7.005 -3.898 3.044 1.00 15.32 H new ATOM 0 HA GLU A 73 8.713 -6.241 3.496 1.00 1.20 H new ATOM 0 HB2 GLU A 73 6.357 -5.165 5.101 1.00 63.44 H new ATOM 0 HB3 GLU A 73 7.503 -6.385 5.622 1.00 63.44 H new ATOM 0 HG2 GLU A 73 8.116 -3.444 5.086 1.00 33.22 H new ATOM 0 HG3 GLU A 73 8.011 -4.211 6.659 1.00 33.22 H new ATOM 1185 N ALA A 74 5.796 -6.468 2.105 1.00 70.12 N ATOM 1186 CA ALA A 74 4.873 -7.399 1.420 1.00 42.20 C ATOM 1187 C ALA A 74 5.607 -8.194 0.332 1.00 61.13 C ATOM 1188 O ALA A 74 5.192 -9.308 0.005 1.00 25.24 O ATOM 1189 CB ALA A 74 3.668 -6.647 0.814 1.00 15.15 C ATOM 0 H ALA A 74 5.661 -5.490 1.850 1.00 70.12 H new ATOM 0 HA ALA A 74 4.496 -8.098 2.166 1.00 42.20 H new ATOM 0 HB1 ALA A 74 3.008 -7.358 0.317 1.00 15.15 H new ATOM 0 HB2 ALA A 74 3.121 -6.137 1.607 1.00 15.15 H new ATOM 0 HB3 ALA A 74 4.023 -5.915 0.089 1.00 15.15 H new ATOM 1195 N ILE A 75 6.709 -7.610 -0.194 1.00 54.44 N ATOM 1196 CA ILE A 75 7.475 -8.183 -1.318 1.00 62.23 C ATOM 1197 C ILE A 75 8.031 -9.572 -0.970 1.00 33.42 C ATOM 1198 O ILE A 75 7.947 -10.498 -1.770 1.00 72.51 O ATOM 1199 CB ILE A 75 8.653 -7.247 -1.786 1.00 32.12 C ATOM 1200 CG1 ILE A 75 8.142 -5.800 -2.067 1.00 35.23 C ATOM 1201 CG2 ILE A 75 9.370 -7.829 -3.034 1.00 60.24 C ATOM 1202 CD1 ILE A 75 7.005 -5.695 -3.071 1.00 42.22 C ATOM 0 H ILE A 75 7.089 -6.729 0.151 1.00 54.44 H new ATOM 0 HA ILE A 75 6.769 -8.276 -2.144 1.00 62.23 H new ATOM 0 HB ILE A 75 9.378 -7.198 -0.974 1.00 32.12 H new ATOM 0 HG12 ILE A 75 7.815 -5.359 -1.125 1.00 35.23 H new ATOM 0 HG13 ILE A 75 8.978 -5.201 -2.426 1.00 35.23 H new ATOM 0 HG21 ILE A 75 10.178 -7.162 -3.334 1.00 60.24 H new ATOM 0 HG22 ILE A 75 9.780 -8.810 -2.794 1.00 60.24 H new ATOM 0 HG23 ILE A 75 8.656 -7.925 -3.852 1.00 60.24 H new ATOM 0 HD11 ILE A 75 6.724 -4.649 -3.195 1.00 42.22 H new ATOM 0 HD12 ILE A 75 7.328 -6.100 -4.030 1.00 42.22 H new ATOM 0 HD13 ILE A 75 6.146 -6.261 -2.709 1.00 42.22 H new ATOM 1214 N THR A 76 8.555 -9.706 0.251 1.00 52.23 N ATOM 1215 CA THR A 76 9.153 -10.957 0.731 1.00 54.43 C ATOM 1216 C THR A 76 8.082 -12.050 0.982 1.00 11.21 C ATOM 1217 O THR A 76 8.399 -13.244 1.008 1.00 21.33 O ATOM 1218 CB THR A 76 9.979 -10.685 2.024 1.00 14.24 C ATOM 1219 OG1 THR A 76 9.152 -10.010 2.987 1.00 23.35 O ATOM 1220 CG2 THR A 76 11.228 -9.834 1.738 1.00 42.14 C ATOM 0 H THR A 76 8.577 -8.951 0.936 1.00 52.23 H new ATOM 0 HA THR A 76 9.818 -11.334 -0.046 1.00 54.43 H new ATOM 0 HB THR A 76 10.311 -11.646 2.416 1.00 14.24 H new ATOM 0 HG1 THR A 76 9.670 -9.840 3.801 1.00 23.35 H new ATOM 0 HG21 THR A 76 11.775 -9.668 2.666 1.00 42.14 H new ATOM 0 HG22 THR A 76 11.869 -10.356 1.027 1.00 42.14 H new ATOM 0 HG23 THR A 76 10.926 -8.875 1.318 1.00 42.14 H new ATOM 1228 N ALA A 77 6.816 -11.620 1.152 1.00 10.43 N ATOM 1229 CA ALA A 77 5.668 -12.524 1.352 1.00 42.50 C ATOM 1230 C ALA A 77 5.008 -12.909 0.010 1.00 75.33 C ATOM 1231 O ALA A 77 4.185 -13.834 -0.027 1.00 65.34 O ATOM 1232 CB ALA A 77 4.641 -11.865 2.288 1.00 4.11 C ATOM 0 H ALA A 77 6.561 -10.632 1.154 1.00 10.43 H new ATOM 0 HA ALA A 77 6.035 -13.442 1.811 1.00 42.50 H new ATOM 0 HB1 ALA A 77 3.795 -12.538 2.432 1.00 4.11 H new ATOM 0 HB2 ALA A 77 5.107 -11.657 3.251 1.00 4.11 H new ATOM 0 HB3 ALA A 77 4.291 -10.932 1.845 1.00 4.11 H new ATOM 1238 N ILE A 78 5.349 -12.176 -1.075 1.00 45.50 N ATOM 1239 CA ILE A 78 4.823 -12.440 -2.433 1.00 71.22 C ATOM 1240 C ILE A 78 5.246 -13.855 -2.904 1.00 24.44 C ATOM 1241 O ILE A 78 6.401 -14.241 -2.707 1.00 23.23 O ATOM 1242 CB ILE A 78 5.304 -11.348 -3.480 1.00 1.45 C ATOM 1243 CG1 ILE A 78 4.733 -9.945 -3.120 1.00 44.11 C ATOM 1244 CG2 ILE A 78 4.934 -11.720 -4.938 1.00 43.41 C ATOM 1245 CD1 ILE A 78 5.110 -8.828 -4.081 1.00 20.41 C ATOM 0 H ILE A 78 5.995 -11.387 -1.033 1.00 45.50 H new ATOM 0 HA ILE A 78 3.736 -12.386 -2.379 1.00 71.22 H new ATOM 0 HB ILE A 78 6.392 -11.316 -3.420 1.00 1.45 H new ATOM 0 HG12 ILE A 78 3.646 -10.013 -3.075 1.00 44.11 H new ATOM 0 HG13 ILE A 78 5.077 -9.675 -2.121 1.00 44.11 H new ATOM 0 HG21 ILE A 78 5.286 -10.940 -5.613 1.00 43.41 H new ATOM 0 HG22 ILE A 78 5.404 -12.667 -5.202 1.00 43.41 H new ATOM 0 HG23 ILE A 78 3.852 -11.815 -5.026 1.00 43.41 H new ATOM 0 HD11 ILE A 78 4.664 -7.892 -3.744 1.00 20.41 H new ATOM 0 HD12 ILE A 78 6.195 -8.724 -4.110 1.00 20.41 H new ATOM 0 HD13 ILE A 78 4.742 -9.067 -5.079 1.00 20.41 H new ATOM 1257 N PRO A 79 4.295 -14.666 -3.475 1.00 34.31 N ATOM 1258 CA PRO A 79 4.620 -15.961 -4.127 1.00 30.42 C ATOM 1259 C PRO A 79 5.716 -15.836 -5.216 1.00 72.03 C ATOM 1260 O PRO A 79 5.966 -14.748 -5.736 1.00 15.14 O ATOM 1261 CB PRO A 79 3.265 -16.386 -4.744 1.00 21.23 C ATOM 1262 CG PRO A 79 2.232 -15.734 -3.879 1.00 63.55 C ATOM 1263 CD PRO A 79 2.825 -14.404 -3.480 1.00 34.21 C ATOM 0 HA PRO A 79 5.032 -16.683 -3.422 1.00 30.42 H new ATOM 0 HB2 PRO A 79 3.180 -16.056 -5.779 1.00 21.23 H new ATOM 0 HB3 PRO A 79 3.153 -17.470 -4.745 1.00 21.23 H new ATOM 0 HG2 PRO A 79 1.295 -15.600 -4.419 1.00 63.55 H new ATOM 0 HG3 PRO A 79 2.011 -16.344 -3.003 1.00 63.55 H new ATOM 0 HD2 PRO A 79 2.560 -13.618 -4.187 1.00 34.21 H new ATOM 0 HD3 PRO A 79 2.471 -14.084 -2.500 1.00 34.21 H new ATOM 1271 N GLU A 80 6.354 -16.969 -5.560 1.00 33.44 N ATOM 1272 CA GLU A 80 7.439 -17.025 -6.567 1.00 64.20 C ATOM 1273 C GLU A 80 6.866 -16.917 -8.007 1.00 64.02 C ATOM 1274 O GLU A 80 6.980 -17.846 -8.820 1.00 0.14 O ATOM 1275 CB GLU A 80 8.273 -18.328 -6.359 1.00 1.10 C ATOM 1276 CG GLU A 80 7.448 -19.634 -6.360 1.00 14.23 C ATOM 1277 CD GLU A 80 8.313 -20.893 -6.187 1.00 44.25 C ATOM 1278 OE1 GLU A 80 8.790 -21.449 -7.196 1.00 44.01 O ATOM 1279 OE2 GLU A 80 8.528 -21.319 -5.035 1.00 33.22 O ATOM 0 H GLU A 80 6.134 -17.876 -5.149 1.00 33.44 H new ATOM 0 HA GLU A 80 8.104 -16.172 -6.433 1.00 64.20 H new ATOM 0 HB2 GLU A 80 9.026 -18.390 -7.145 1.00 1.10 H new ATOM 0 HB3 GLU A 80 8.807 -18.253 -5.412 1.00 1.10 H new ATOM 0 HG2 GLU A 80 6.712 -19.593 -5.557 1.00 14.23 H new ATOM 0 HG3 GLU A 80 6.894 -19.706 -7.296 1.00 14.23 H new ATOM 1286 N GLU A 81 6.262 -15.755 -8.325 1.00 24.30 N ATOM 1287 CA GLU A 81 5.518 -15.544 -9.584 1.00 42.42 C ATOM 1288 C GLU A 81 5.991 -14.257 -10.275 1.00 74.01 C ATOM 1289 O GLU A 81 6.906 -13.582 -9.789 1.00 64.45 O ATOM 1290 CB GLU A 81 3.990 -15.502 -9.295 1.00 1.32 C ATOM 1291 CG GLU A 81 3.460 -16.755 -8.569 1.00 0.30 C ATOM 1292 CD GLU A 81 1.942 -16.760 -8.354 1.00 34.00 C ATOM 1293 OE1 GLU A 81 1.426 -15.845 -7.681 1.00 11.43 O ATOM 1294 OE2 GLU A 81 1.256 -17.681 -8.849 1.00 74.22 O ATOM 0 H GLU A 81 6.276 -14.936 -7.717 1.00 24.30 H new ATOM 0 HA GLU A 81 5.714 -16.376 -10.261 1.00 42.42 H new ATOM 0 HB2 GLU A 81 3.768 -14.622 -8.691 1.00 1.32 H new ATOM 0 HB3 GLU A 81 3.454 -15.385 -10.237 1.00 1.32 H new ATOM 0 HG2 GLU A 81 3.738 -17.639 -9.143 1.00 0.30 H new ATOM 0 HG3 GLU A 81 3.953 -16.836 -7.600 1.00 0.30 H new ATOM 1301 N GLU A 82 5.340 -13.945 -11.412 1.00 11.44 N ATOM 1302 CA GLU A 82 5.635 -12.776 -12.267 1.00 53.40 C ATOM 1303 C GLU A 82 5.536 -11.450 -11.480 1.00 74.03 C ATOM 1304 O GLU A 82 6.259 -10.477 -11.757 1.00 40.44 O ATOM 1305 CB GLU A 82 4.630 -12.778 -13.460 1.00 2.35 C ATOM 1306 CG GLU A 82 4.806 -11.636 -14.480 1.00 3.13 C ATOM 1307 CD GLU A 82 6.168 -11.679 -15.197 1.00 14.31 C ATOM 1308 OE1 GLU A 82 6.346 -12.524 -16.102 1.00 62.40 O ATOM 1309 OE2 GLU A 82 7.065 -10.878 -14.864 1.00 0.23 O ATOM 0 H GLU A 82 4.574 -14.514 -11.772 1.00 11.44 H new ATOM 0 HA GLU A 82 6.660 -12.850 -12.632 1.00 53.40 H new ATOM 0 HB2 GLU A 82 4.720 -13.728 -13.986 1.00 2.35 H new ATOM 0 HB3 GLU A 82 3.618 -12.730 -13.059 1.00 2.35 H new ATOM 0 HG2 GLU A 82 4.009 -11.691 -15.221 1.00 3.13 H new ATOM 0 HG3 GLU A 82 4.700 -10.679 -13.969 1.00 3.13 H new ATOM 1316 N GLY A 83 4.627 -11.442 -10.494 1.00 75.04 N ATOM 1317 CA GLY A 83 4.333 -10.269 -9.691 1.00 51.31 C ATOM 1318 C GLY A 83 5.459 -9.843 -8.758 1.00 53.42 C ATOM 1319 O GLY A 83 5.417 -8.733 -8.227 1.00 14.12 O ATOM 0 H GLY A 83 4.076 -12.261 -10.238 1.00 75.04 H new ATOM 0 HA2 GLY A 83 4.096 -9.439 -10.357 1.00 51.31 H new ATOM 0 HA3 GLY A 83 3.441 -10.466 -9.097 1.00 51.31 H new ATOM 1323 N ARG A 84 6.446 -10.729 -8.548 1.00 24.13 N ATOM 1324 CA ARG A 84 7.640 -10.428 -7.737 1.00 24.14 C ATOM 1325 C ARG A 84 8.398 -9.207 -8.295 1.00 54.14 C ATOM 1326 O ARG A 84 8.688 -8.264 -7.554 1.00 5.12 O ATOM 1327 CB ARG A 84 8.591 -11.672 -7.681 1.00 14.23 C ATOM 1328 CG ARG A 84 8.341 -12.639 -6.505 1.00 33.31 C ATOM 1329 CD ARG A 84 8.751 -12.024 -5.155 1.00 13.00 C ATOM 1330 NE ARG A 84 8.603 -12.970 -4.033 1.00 54.14 N ATOM 1331 CZ ARG A 84 9.328 -12.943 -2.898 1.00 3.24 C ATOM 1332 NH1 ARG A 84 10.273 -12.028 -2.709 1.00 15.34 N ATOM 1333 NH2 ARG A 84 9.062 -13.808 -1.934 1.00 64.40 N ATOM 0 H ARG A 84 6.440 -11.673 -8.934 1.00 24.13 H new ATOM 0 HA ARG A 84 7.307 -10.190 -6.727 1.00 24.14 H new ATOM 0 HB2 ARG A 84 8.492 -12.227 -8.614 1.00 14.23 H new ATOM 0 HB3 ARG A 84 9.621 -11.319 -7.628 1.00 14.23 H new ATOM 0 HG2 ARG A 84 7.285 -12.908 -6.475 1.00 33.31 H new ATOM 0 HG3 ARG A 84 8.900 -13.560 -6.668 1.00 33.31 H new ATOM 0 HD2 ARG A 84 9.788 -11.692 -5.211 1.00 13.00 H new ATOM 0 HD3 ARG A 84 8.143 -11.140 -4.963 1.00 13.00 H new ATOM 0 HE ARG A 84 7.897 -13.701 -4.124 1.00 54.14 H new ATOM 0 HH11 ARG A 84 10.459 -11.331 -3.430 1.00 15.34 H new ATOM 0 HH12 ARG A 84 10.812 -12.023 -1.843 1.00 15.34 H new ATOM 0 HH21 ARG A 84 8.312 -14.489 -2.053 1.00 64.40 H new ATOM 0 HH22 ARG A 84 9.607 -13.794 -1.072 1.00 64.40 H new ATOM 1347 N LYS A 85 8.703 -9.252 -9.603 1.00 62.40 N ATOM 1348 CA LYS A 85 9.576 -8.269 -10.277 1.00 34.41 C ATOM 1349 C LYS A 85 8.912 -6.873 -10.293 1.00 74.30 C ATOM 1350 O LYS A 85 9.492 -5.895 -9.815 1.00 45.45 O ATOM 1351 CB LYS A 85 9.908 -8.787 -11.719 1.00 44.11 C ATOM 1352 CG LYS A 85 11.127 -8.129 -12.428 1.00 52.41 C ATOM 1353 CD LYS A 85 10.853 -6.717 -12.995 1.00 33.25 C ATOM 1354 CE LYS A 85 9.786 -6.714 -14.105 1.00 25.04 C ATOM 1355 NZ LYS A 85 9.572 -5.356 -14.668 1.00 71.11 N ATOM 0 H LYS A 85 8.349 -9.976 -10.229 1.00 62.40 H new ATOM 0 HA LYS A 85 10.512 -8.162 -9.729 1.00 34.41 H new ATOM 0 HB2 LYS A 85 10.084 -9.861 -11.664 1.00 44.11 H new ATOM 0 HB3 LYS A 85 9.028 -8.640 -12.346 1.00 44.11 H new ATOM 0 HG2 LYS A 85 11.954 -8.068 -11.720 1.00 52.41 H new ATOM 0 HG3 LYS A 85 11.451 -8.777 -13.242 1.00 52.41 H new ATOM 0 HD2 LYS A 85 10.530 -6.062 -12.186 1.00 33.25 H new ATOM 0 HD3 LYS A 85 11.781 -6.303 -13.389 1.00 33.25 H new ATOM 0 HE2 LYS A 85 10.090 -7.393 -14.902 1.00 25.04 H new ATOM 0 HE3 LYS A 85 8.846 -7.093 -13.705 1.00 25.04 H new ATOM 0 HZ1 LYS A 85 8.609 -5.289 -15.056 1.00 71.11 H new ATOM 0 HZ2 LYS A 85 9.693 -4.646 -13.918 1.00 71.11 H new ATOM 0 HZ3 LYS A 85 10.263 -5.181 -15.425 1.00 71.11 H new ATOM 1369 N GLU A 86 7.678 -6.822 -10.821 1.00 53.30 N ATOM 1370 CA GLU A 86 6.926 -5.569 -11.017 1.00 43.13 C ATOM 1371 C GLU A 86 6.568 -4.894 -9.669 1.00 53.33 C ATOM 1372 O GLU A 86 6.708 -3.668 -9.533 1.00 11.24 O ATOM 1373 CB GLU A 86 5.656 -5.842 -11.871 1.00 71.21 C ATOM 1374 CG GLU A 86 4.758 -6.980 -11.338 1.00 61.11 C ATOM 1375 CD GLU A 86 3.518 -7.254 -12.205 1.00 64.25 C ATOM 1376 OE1 GLU A 86 2.491 -6.564 -12.026 1.00 62.33 O ATOM 1377 OE2 GLU A 86 3.567 -8.159 -13.072 1.00 34.22 O ATOM 0 H GLU A 86 7.170 -7.653 -11.126 1.00 53.30 H new ATOM 0 HA GLU A 86 7.565 -4.869 -11.555 1.00 43.13 H new ATOM 0 HB2 GLU A 86 5.067 -4.927 -11.926 1.00 71.21 H new ATOM 0 HB3 GLU A 86 5.963 -6.085 -12.888 1.00 71.21 H new ATOM 0 HG2 GLU A 86 5.349 -7.893 -11.268 1.00 61.11 H new ATOM 0 HG3 GLU A 86 4.435 -6.731 -10.327 1.00 61.11 H new ATOM 1384 N ALA A 87 6.137 -5.699 -8.673 1.00 33.40 N ATOM 1385 CA ALA A 87 5.724 -5.177 -7.356 1.00 74.35 C ATOM 1386 C ALA A 87 6.922 -4.672 -6.545 1.00 1.12 C ATOM 1387 O ALA A 87 6.778 -3.737 -5.747 1.00 11.04 O ATOM 1388 CB ALA A 87 4.947 -6.229 -6.558 1.00 33.04 C ATOM 0 H ALA A 87 6.067 -6.713 -8.758 1.00 33.40 H new ATOM 0 HA ALA A 87 5.064 -4.330 -7.544 1.00 74.35 H new ATOM 0 HB1 ALA A 87 4.657 -5.813 -5.593 1.00 33.04 H new ATOM 0 HB2 ALA A 87 4.054 -6.519 -7.111 1.00 33.04 H new ATOM 0 HB3 ALA A 87 5.577 -7.105 -6.401 1.00 33.04 H new ATOM 1394 N LYS A 88 8.092 -5.303 -6.760 1.00 32.24 N ATOM 1395 CA LYS A 88 9.365 -4.894 -6.136 1.00 61.45 C ATOM 1396 C LYS A 88 9.691 -3.435 -6.500 1.00 63.20 C ATOM 1397 O LYS A 88 10.117 -2.659 -5.648 1.00 11.43 O ATOM 1398 CB LYS A 88 10.513 -5.836 -6.597 1.00 2.13 C ATOM 1399 CG LYS A 88 11.917 -5.527 -6.018 1.00 54.22 C ATOM 1400 CD LYS A 88 11.949 -5.545 -4.475 1.00 4.40 C ATOM 1401 CE LYS A 88 13.344 -5.270 -3.903 1.00 63.31 C ATOM 1402 NZ LYS A 88 13.309 -5.155 -2.418 1.00 53.20 N ATOM 0 H LYS A 88 8.181 -6.113 -7.373 1.00 32.24 H new ATOM 0 HA LYS A 88 9.266 -4.968 -5.053 1.00 61.45 H new ATOM 0 HB2 LYS A 88 10.248 -6.858 -6.328 1.00 2.13 H new ATOM 0 HB3 LYS A 88 10.573 -5.798 -7.685 1.00 2.13 H new ATOM 0 HG2 LYS A 88 12.630 -6.258 -6.399 1.00 54.22 H new ATOM 0 HG3 LYS A 88 12.243 -4.549 -6.372 1.00 54.22 H new ATOM 0 HD2 LYS A 88 11.252 -4.799 -4.094 1.00 4.40 H new ATOM 0 HD3 LYS A 88 11.602 -6.516 -4.121 1.00 4.40 H new ATOM 0 HE2 LYS A 88 14.022 -6.073 -4.191 1.00 63.31 H new ATOM 0 HE3 LYS A 88 13.740 -4.349 -4.332 1.00 63.31 H new ATOM 0 HZ1 LYS A 88 14.268 -4.969 -2.062 1.00 53.20 H new ATOM 0 HZ2 LYS A 88 12.680 -4.373 -2.145 1.00 53.20 H new ATOM 0 HZ3 LYS A 88 12.954 -6.043 -2.009 1.00 53.20 H new ATOM 1416 N GLU A 89 9.452 -3.091 -7.771 1.00 15.13 N ATOM 1417 CA GLU A 89 9.710 -1.748 -8.313 1.00 62.32 C ATOM 1418 C GLU A 89 8.726 -0.707 -7.740 1.00 25.01 C ATOM 1419 O GLU A 89 9.075 0.467 -7.598 1.00 53.51 O ATOM 1420 CB GLU A 89 9.635 -1.795 -9.851 1.00 73.11 C ATOM 1421 CG GLU A 89 10.617 -2.807 -10.478 1.00 32.31 C ATOM 1422 CD GLU A 89 10.554 -2.829 -12.006 1.00 2.12 C ATOM 1423 OE1 GLU A 89 9.654 -3.490 -12.550 1.00 3.03 O ATOM 1424 OE2 GLU A 89 11.386 -2.162 -12.668 1.00 53.12 O ATOM 0 H GLU A 89 9.071 -3.741 -8.459 1.00 15.13 H new ATOM 0 HA GLU A 89 10.710 -1.436 -8.013 1.00 62.32 H new ATOM 0 HB2 GLU A 89 8.619 -2.051 -10.151 1.00 73.11 H new ATOM 0 HB3 GLU A 89 9.844 -0.802 -10.249 1.00 73.11 H new ATOM 0 HG2 GLU A 89 11.632 -2.563 -10.165 1.00 32.31 H new ATOM 0 HG3 GLU A 89 10.397 -3.804 -10.096 1.00 32.31 H new ATOM 1431 N MET A 90 7.505 -1.155 -7.410 1.00 11.32 N ATOM 1432 CA MET A 90 6.486 -0.300 -6.771 1.00 51.45 C ATOM 1433 C MET A 90 6.894 0.042 -5.329 1.00 12.32 C ATOM 1434 O MET A 90 6.685 1.168 -4.865 1.00 53.41 O ATOM 1435 CB MET A 90 5.110 -0.996 -6.759 1.00 71.53 C ATOM 1436 CG MET A 90 4.566 -1.379 -8.135 1.00 10.04 C ATOM 1437 SD MET A 90 2.815 -1.816 -8.075 1.00 42.32 S ATOM 1438 CE MET A 90 2.804 -3.062 -6.785 1.00 74.15 C ATOM 0 H MET A 90 7.195 -2.113 -7.576 1.00 11.32 H new ATOM 0 HA MET A 90 6.414 0.618 -7.354 1.00 51.45 H new ATOM 0 HB2 MET A 90 5.181 -1.897 -6.150 1.00 71.53 H new ATOM 0 HB3 MET A 90 4.391 -0.337 -6.272 1.00 71.53 H new ATOM 0 HG2 MET A 90 4.708 -0.547 -8.825 1.00 10.04 H new ATOM 0 HG3 MET A 90 5.136 -2.221 -8.528 1.00 10.04 H new ATOM 0 HE1 MET A 90 2.349 -3.976 -7.166 1.00 74.15 H new ATOM 0 HE2 MET A 90 3.827 -3.269 -6.471 1.00 74.15 H new ATOM 0 HE3 MET A 90 2.229 -2.699 -5.933 1.00 74.15 H new ATOM 1448 N ALA A 91 7.470 -0.957 -4.636 1.00 20.05 N ATOM 1449 CA ALA A 91 8.004 -0.795 -3.276 1.00 45.44 C ATOM 1450 C ALA A 91 9.115 0.260 -3.263 1.00 64.51 C ATOM 1451 O ALA A 91 9.193 1.066 -2.336 1.00 34.41 O ATOM 1452 CB ALA A 91 8.516 -2.139 -2.738 1.00 51.53 C ATOM 0 H ALA A 91 7.577 -1.901 -5.007 1.00 20.05 H new ATOM 0 HA ALA A 91 7.202 -0.452 -2.623 1.00 45.44 H new ATOM 0 HB1 ALA A 91 8.908 -2.002 -1.730 1.00 51.53 H new ATOM 0 HB2 ALA A 91 7.696 -2.857 -2.714 1.00 51.53 H new ATOM 0 HB3 ALA A 91 9.307 -2.513 -3.387 1.00 51.53 H new ATOM 1458 N LYS A 92 9.939 0.252 -4.334 1.00 50.11 N ATOM 1459 CA LYS A 92 11.008 1.241 -4.534 1.00 2.01 C ATOM 1460 C LYS A 92 10.416 2.657 -4.622 1.00 32.14 C ATOM 1461 O LYS A 92 10.903 3.572 -3.960 1.00 10.14 O ATOM 1462 CB LYS A 92 11.826 0.933 -5.814 1.00 52.43 C ATOM 1463 CG LYS A 92 12.439 -0.478 -5.843 1.00 52.55 C ATOM 1464 CD LYS A 92 13.300 -0.734 -7.099 1.00 20.42 C ATOM 1465 CE LYS A 92 13.755 -2.197 -7.209 1.00 74.24 C ATOM 1466 NZ LYS A 92 14.660 -2.418 -8.372 1.00 32.31 N ATOM 0 H LYS A 92 9.878 -0.441 -5.080 1.00 50.11 H new ATOM 0 HA LYS A 92 11.679 1.184 -3.677 1.00 2.01 H new ATOM 0 HB2 LYS A 92 11.180 1.055 -6.683 1.00 52.43 H new ATOM 0 HB3 LYS A 92 12.626 1.667 -5.906 1.00 52.43 H new ATOM 0 HG2 LYS A 92 13.052 -0.620 -4.953 1.00 52.55 H new ATOM 0 HG3 LYS A 92 11.639 -1.217 -5.800 1.00 52.55 H new ATOM 0 HD2 LYS A 92 12.729 -0.466 -7.988 1.00 20.42 H new ATOM 0 HD3 LYS A 92 14.175 -0.085 -7.075 1.00 20.42 H new ATOM 0 HE2 LYS A 92 14.268 -2.486 -6.292 1.00 74.24 H new ATOM 0 HE3 LYS A 92 12.881 -2.842 -7.303 1.00 74.24 H new ATOM 0 HZ1 LYS A 92 14.942 -3.418 -8.407 1.00 32.31 H new ATOM 0 HZ2 LYS A 92 14.164 -2.167 -9.251 1.00 32.31 H new ATOM 0 HZ3 LYS A 92 15.507 -1.823 -8.271 1.00 32.31 H new ATOM 1480 N LYS A 93 9.333 2.799 -5.415 1.00 4.23 N ATOM 1481 CA LYS A 93 8.627 4.089 -5.611 1.00 14.44 C ATOM 1482 C LYS A 93 8.057 4.628 -4.292 1.00 45.44 C ATOM 1483 O LYS A 93 8.139 5.826 -4.025 1.00 10.21 O ATOM 1484 CB LYS A 93 7.493 3.941 -6.668 1.00 24.25 C ATOM 1485 CG LYS A 93 7.918 4.239 -8.114 1.00 23.45 C ATOM 1486 CD LYS A 93 8.200 5.749 -8.326 1.00 43.30 C ATOM 1487 CE LYS A 93 8.901 6.045 -9.659 1.00 2.42 C ATOM 1488 NZ LYS A 93 10.202 5.330 -9.764 1.00 4.42 N ATOM 0 H LYS A 93 8.922 2.026 -5.938 1.00 4.23 H new ATOM 0 HA LYS A 93 9.359 4.809 -5.978 1.00 14.44 H new ATOM 0 HB2 LYS A 93 7.102 2.925 -6.621 1.00 24.25 H new ATOM 0 HB3 LYS A 93 6.675 4.610 -6.399 1.00 24.25 H new ATOM 0 HG2 LYS A 93 8.811 3.664 -8.357 1.00 23.45 H new ATOM 0 HG3 LYS A 93 7.134 3.915 -8.798 1.00 23.45 H new ATOM 0 HD2 LYS A 93 7.259 6.298 -8.286 1.00 43.30 H new ATOM 0 HD3 LYS A 93 8.818 6.116 -7.507 1.00 43.30 H new ATOM 0 HE2 LYS A 93 8.254 5.748 -10.485 1.00 2.42 H new ATOM 0 HE3 LYS A 93 9.066 7.118 -9.753 1.00 2.42 H new ATOM 0 HZ1 LYS A 93 10.820 5.831 -10.433 1.00 4.42 H new ATOM 0 HZ2 LYS A 93 10.657 5.298 -8.829 1.00 4.42 H new ATOM 0 HZ3 LYS A 93 10.039 4.360 -10.103 1.00 4.42 H new ATOM 1502 N ALA A 94 7.501 3.716 -3.482 1.00 42.01 N ATOM 1503 CA ALA A 94 6.922 4.038 -2.170 1.00 54.44 C ATOM 1504 C ALA A 94 7.994 4.619 -1.224 1.00 1.14 C ATOM 1505 O ALA A 94 7.720 5.555 -0.462 1.00 74.43 O ATOM 1506 CB ALA A 94 6.294 2.781 -1.565 1.00 63.35 C ATOM 0 H ALA A 94 7.440 2.726 -3.721 1.00 42.01 H new ATOM 0 HA ALA A 94 6.149 4.795 -2.302 1.00 54.44 H new ATOM 0 HB1 ALA A 94 5.865 3.021 -0.592 1.00 63.35 H new ATOM 0 HB2 ALA A 94 5.510 2.412 -2.226 1.00 63.35 H new ATOM 0 HB3 ALA A 94 7.059 2.014 -1.445 1.00 63.35 H new ATOM 1512 N GLU A 95 9.213 4.045 -1.299 1.00 41.44 N ATOM 1513 CA GLU A 95 10.380 4.503 -0.522 1.00 32.13 C ATOM 1514 C GLU A 95 10.874 5.875 -1.029 1.00 31.22 C ATOM 1515 O GLU A 95 11.224 6.741 -0.227 1.00 4.14 O ATOM 1516 CB GLU A 95 11.522 3.466 -0.610 1.00 10.43 C ATOM 1517 CG GLU A 95 11.167 2.085 -0.043 1.00 12.42 C ATOM 1518 CD GLU A 95 12.298 1.070 -0.242 1.00 31.21 C ATOM 1519 OE1 GLU A 95 13.352 1.206 0.424 1.00 34.31 O ATOM 1520 OE2 GLU A 95 12.162 0.157 -1.086 1.00 23.51 O ATOM 0 H GLU A 95 9.414 3.248 -1.903 1.00 41.44 H new ATOM 0 HA GLU A 95 10.074 4.609 0.519 1.00 32.13 H new ATOM 0 HB2 GLU A 95 11.814 3.353 -1.654 1.00 10.43 H new ATOM 0 HB3 GLU A 95 12.390 3.853 -0.076 1.00 10.43 H new ATOM 0 HG2 GLU A 95 10.946 2.176 1.020 1.00 12.42 H new ATOM 0 HG3 GLU A 95 10.262 1.717 -0.526 1.00 12.42 H new ATOM 1527 N GLU A 96 10.871 6.054 -2.370 1.00 23.45 N ATOM 1528 CA GLU A 96 11.314 7.307 -3.033 1.00 32.44 C ATOM 1529 C GLU A 96 10.418 8.483 -2.624 1.00 73.42 C ATOM 1530 O GLU A 96 10.904 9.591 -2.377 1.00 24.41 O ATOM 1531 CB GLU A 96 11.315 7.154 -4.580 1.00 53.41 C ATOM 1532 CG GLU A 96 12.333 6.134 -5.110 1.00 5.22 C ATOM 1533 CD GLU A 96 12.306 6.020 -6.637 1.00 72.44 C ATOM 1534 OE1 GLU A 96 11.526 5.208 -7.174 1.00 14.54 O ATOM 1535 OE2 GLU A 96 13.046 6.770 -7.309 1.00 23.10 O ATOM 0 H GLU A 96 10.562 5.335 -3.025 1.00 23.45 H new ATOM 0 HA GLU A 96 12.334 7.510 -2.707 1.00 32.44 H new ATOM 0 HB2 GLU A 96 10.318 6.858 -4.905 1.00 53.41 H new ATOM 0 HB3 GLU A 96 11.522 8.125 -5.030 1.00 53.41 H new ATOM 0 HG2 GLU A 96 13.333 6.423 -4.788 1.00 5.22 H new ATOM 0 HG3 GLU A 96 12.126 5.158 -4.672 1.00 5.22 H new ATOM 1542 N TRP A 97 9.107 8.201 -2.550 1.00 21.34 N ATOM 1543 CA TRP A 97 8.096 9.164 -2.106 1.00 11.20 C ATOM 1544 C TRP A 97 8.299 9.511 -0.630 1.00 41.11 C ATOM 1545 O TRP A 97 8.219 10.678 -0.248 1.00 64.10 O ATOM 1546 CB TRP A 97 6.675 8.595 -2.321 1.00 44.51 C ATOM 1547 CG TRP A 97 6.301 8.359 -3.761 1.00 33.01 C ATOM 1548 CD1 TRP A 97 6.857 8.924 -4.876 1.00 21.34 C ATOM 1549 CD2 TRP A 97 5.257 7.508 -4.229 1.00 53.45 C ATOM 1550 NE1 TRP A 97 6.228 8.461 -6.000 1.00 42.52 N ATOM 1551 CE2 TRP A 97 5.241 7.595 -5.628 1.00 2.34 C ATOM 1552 CE3 TRP A 97 4.339 6.676 -3.589 1.00 64.21 C ATOM 1553 CZ2 TRP A 97 4.347 6.879 -6.399 1.00 63.21 C ATOM 1554 CZ3 TRP A 97 3.445 5.971 -4.358 1.00 22.45 C ATOM 1555 CH2 TRP A 97 3.457 6.078 -5.750 1.00 35.13 C ATOM 0 H TRP A 97 8.720 7.291 -2.799 1.00 21.34 H new ATOM 0 HA TRP A 97 8.206 10.071 -2.700 1.00 11.20 H new ATOM 0 HB2 TRP A 97 6.590 7.653 -1.779 1.00 44.51 H new ATOM 0 HB3 TRP A 97 5.953 9.283 -1.881 1.00 44.51 H new ATOM 0 HD1 TRP A 97 7.673 9.632 -4.870 1.00 21.34 H new ATOM 0 HE1 TRP A 97 6.459 8.721 -6.959 1.00 42.52 H new ATOM 0 HE3 TRP A 97 4.331 6.588 -2.513 1.00 64.21 H new ATOM 0 HZ2 TRP A 97 4.353 6.951 -7.477 1.00 63.21 H new ATOM 0 HZ3 TRP A 97 2.723 5.326 -3.879 1.00 22.45 H new ATOM 0 HH2 TRP A 97 2.742 5.511 -6.327 1.00 35.13 H new ATOM 1566 N LEU A 98 8.583 8.475 0.179 1.00 5.41 N ATOM 1567 CA LEU A 98 8.799 8.623 1.625 1.00 44.31 C ATOM 1568 C LEU A 98 10.033 9.511 1.907 1.00 2.04 C ATOM 1569 O LEU A 98 10.016 10.325 2.830 1.00 23.01 O ATOM 1570 CB LEU A 98 8.953 7.226 2.285 1.00 25.14 C ATOM 1571 CG LEU A 98 9.070 7.212 3.839 1.00 60.43 C ATOM 1572 CD1 LEU A 98 7.876 7.938 4.489 1.00 43.12 C ATOM 1573 CD2 LEU A 98 9.214 5.770 4.375 1.00 20.42 C ATOM 0 H LEU A 98 8.669 7.514 -0.153 1.00 5.41 H new ATOM 0 HA LEU A 98 7.930 9.116 2.061 1.00 44.31 H new ATOM 0 HB2 LEU A 98 8.096 6.615 2.000 1.00 25.14 H new ATOM 0 HB3 LEU A 98 9.839 6.746 1.870 1.00 25.14 H new ATOM 0 HG LEU A 98 9.975 7.754 4.112 1.00 60.43 H new ATOM 0 HD11 LEU A 98 7.982 7.914 5.574 1.00 43.12 H new ATOM 0 HD12 LEU A 98 7.851 8.974 4.150 1.00 43.12 H new ATOM 0 HD13 LEU A 98 6.949 7.441 4.204 1.00 43.12 H new ATOM 0 HD21 LEU A 98 9.294 5.792 5.462 1.00 20.42 H new ATOM 0 HD22 LEU A 98 8.340 5.186 4.087 1.00 20.42 H new ATOM 0 HD23 LEU A 98 10.110 5.313 3.955 1.00 20.42 H new ATOM 1585 N GLN A 99 11.088 9.358 1.083 1.00 62.40 N ATOM 1586 CA GLN A 99 12.317 10.171 1.185 1.00 1.02 C ATOM 1587 C GLN A 99 12.071 11.601 0.675 1.00 45.04 C ATOM 1588 O GLN A 99 12.686 12.545 1.164 1.00 60.33 O ATOM 1589 CB GLN A 99 13.488 9.524 0.397 1.00 4.43 C ATOM 1590 CG GLN A 99 13.887 8.116 0.885 1.00 32.43 C ATOM 1591 CD GLN A 99 15.078 7.530 0.126 1.00 40.21 C ATOM 1592 OE1 GLN A 99 15.305 7.841 -1.048 1.00 35.23 O ATOM 1593 NE2 GLN A 99 15.826 6.646 0.765 1.00 12.51 N ATOM 0 H GLN A 99 11.113 8.670 0.330 1.00 62.40 H new ATOM 0 HA GLN A 99 12.593 10.214 2.239 1.00 1.02 H new ATOM 0 HB2 GLN A 99 13.212 9.465 -0.656 1.00 4.43 H new ATOM 0 HB3 GLN A 99 14.358 10.177 0.462 1.00 4.43 H new ATOM 0 HG2 GLN A 99 14.128 8.162 1.947 1.00 32.43 H new ATOM 0 HG3 GLN A 99 13.033 7.447 0.780 1.00 32.43 H new ATOM 0 HE21 GLN A 99 15.617 6.407 1.734 1.00 12.51 H new ATOM 0 HE22 GLN A 99 16.612 6.203 0.288 1.00 12.51 H new ATOM 1602 N ALA A 100 11.168 11.736 -0.314 1.00 63.42 N ATOM 1603 CA ALA A 100 10.812 13.039 -0.914 1.00 52.32 C ATOM 1604 C ALA A 100 10.054 13.918 0.093 1.00 52.30 C ATOM 1605 O ALA A 100 10.322 15.121 0.208 1.00 1.04 O ATOM 1606 CB ALA A 100 9.980 12.826 -2.190 1.00 43.33 C ATOM 0 H ALA A 100 10.664 10.947 -0.720 1.00 63.42 H new ATOM 0 HA ALA A 100 11.732 13.558 -1.183 1.00 52.32 H new ATOM 0 HB1 ALA A 100 9.724 13.793 -2.623 1.00 43.33 H new ATOM 0 HB2 ALA A 100 10.560 12.248 -2.910 1.00 43.33 H new ATOM 0 HB3 ALA A 100 9.066 12.286 -1.943 1.00 43.33 H new ATOM 1612 N GLU A 101 9.129 13.287 0.834 1.00 61.03 N ATOM 1613 CA GLU A 101 8.346 13.953 1.881 1.00 20.12 C ATOM 1614 C GLU A 101 9.245 14.308 3.074 1.00 51.42 C ATOM 1615 O GLU A 101 9.337 15.467 3.481 1.00 2.25 O ATOM 1616 CB GLU A 101 7.195 13.033 2.348 1.00 70.11 C ATOM 1617 CG GLU A 101 6.174 12.667 1.263 1.00 23.51 C ATOM 1618 CD GLU A 101 5.402 13.864 0.703 1.00 32.24 C ATOM 1619 OE1 GLU A 101 4.547 14.409 1.426 1.00 21.13 O ATOM 1620 OE2 GLU A 101 5.657 14.279 -0.450 1.00 1.43 O ATOM 0 H GLU A 101 8.904 12.298 0.722 1.00 61.03 H new ATOM 0 HA GLU A 101 7.926 14.871 1.471 1.00 20.12 H new ATOM 0 HB2 GLU A 101 7.624 12.114 2.746 1.00 70.11 H new ATOM 0 HB3 GLU A 101 6.670 13.522 3.169 1.00 70.11 H new ATOM 0 HG2 GLU A 101 6.693 12.168 0.445 1.00 23.51 H new ATOM 0 HG3 GLU A 101 5.463 11.950 1.675 1.00 23.51 H new ATOM 1627 N GLN A 102 9.958 13.284 3.583 1.00 52.22 N ATOM 1628 CA GLN A 102 10.826 13.408 4.769 1.00 63.43 C ATOM 1629 C GLN A 102 12.190 14.049 4.422 1.00 51.54 C ATOM 1630 O GLN A 102 13.098 14.063 5.263 1.00 71.11 O ATOM 1631 CB GLN A 102 11.024 12.014 5.441 1.00 15.21 C ATOM 1632 CG GLN A 102 9.712 11.344 5.914 1.00 71.44 C ATOM 1633 CD GLN A 102 9.924 10.018 6.665 1.00 33.52 C ATOM 1634 OE1 GLN A 102 10.886 9.290 6.423 1.00 11.30 O ATOM 1635 NE2 GLN A 102 9.010 9.676 7.567 1.00 74.23 N ATOM 0 H GLN A 102 9.948 12.346 3.182 1.00 52.22 H new ATOM 0 HA GLN A 102 10.329 14.073 5.475 1.00 63.43 H new ATOM 0 HB2 GLN A 102 11.523 11.351 4.735 1.00 15.21 H new ATOM 0 HB3 GLN A 102 11.690 12.127 6.297 1.00 15.21 H new ATOM 0 HG2 GLN A 102 9.176 12.036 6.563 1.00 71.44 H new ATOM 0 HG3 GLN A 102 9.076 11.162 5.048 1.00 71.44 H new ATOM 0 HE21 GLN A 102 8.220 10.294 7.752 1.00 74.23 H new ATOM 0 HE22 GLN A 102 9.098 8.795 8.074 1.00 74.23 H new ATOM 1644 N ASN A 103 12.329 14.575 3.185 1.00 22.52 N ATOM 1645 CA ASN A 103 13.537 15.308 2.760 1.00 23.20 C ATOM 1646 C ASN A 103 13.680 16.599 3.580 1.00 1.21 C ATOM 1647 O ASN A 103 14.762 16.898 4.110 1.00 45.11 O ATOM 1648 CB ASN A 103 13.476 15.629 1.241 1.00 44.23 C ATOM 1649 CG ASN A 103 14.773 16.254 0.711 1.00 0.11 C ATOM 1650 OD1 ASN A 103 14.924 17.479 0.657 1.00 61.00 O ATOM 1651 ND2 ASN A 103 15.724 15.416 0.322 1.00 0.44 N ATOM 0 H ASN A 103 11.614 14.503 2.461 1.00 22.52 H new ATOM 0 HA ASN A 103 14.410 14.680 2.938 1.00 23.20 H new ATOM 0 HB2 ASN A 103 13.268 14.712 0.689 1.00 44.23 H new ATOM 0 HB3 ASN A 103 12.646 16.310 1.052 1.00 44.23 H new ATOM 0 HD21 ASN A 103 16.609 15.778 -0.033 1.00 0.44 H new ATOM 0 HD22 ASN A 103 15.571 14.409 0.378 1.00 0.44 H new ATOM 1658 N ASN A 104 12.567 17.344 3.693 1.00 33.45 N ATOM 1659 CA ASN A 104 12.481 18.536 4.552 1.00 64.42 C ATOM 1660 C ASN A 104 11.936 18.095 5.931 1.00 1.51 C ATOM 1661 O ASN A 104 12.730 17.914 6.877 1.00 52.45 O ATOM 1662 CB ASN A 104 11.563 19.623 3.914 1.00 33.01 C ATOM 1663 CG ASN A 104 11.606 20.964 4.667 1.00 62.45 C ATOM 1664 OD1 ASN A 104 12.359 21.875 4.307 1.00 73.21 O ATOM 1665 ND2 ASN A 104 10.828 21.089 5.729 1.00 13.41 N ATOM 1666 OXT ASN A 104 10.716 17.855 6.050 1.00 36.74 O ATOM 0 H ASN A 104 11.703 17.137 3.192 1.00 33.45 H new ATOM 0 HA ASN A 104 13.469 18.982 4.666 1.00 64.42 H new ATOM 0 HB2 ASN A 104 11.865 19.784 2.879 1.00 33.01 H new ATOM 0 HB3 ASN A 104 10.536 19.257 3.893 1.00 33.01 H new ATOM 0 HD21 ASN A 104 10.841 21.953 6.272 1.00 13.41 H new ATOM 0 HD22 ASN A 104 10.215 20.322 6.005 1.00 13.41 H new TER 1673 ASN A 104