USER MOD reduce.3.24.130724 H: found=0, std=0, add=992, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 989 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 70 THR OG1 : rot 139:sc= 1.19 USER MOD Set 1.2: A 72 GLN : amide:sc= 1.03 K(o=2.2,f=1.7) USER MOD Set 2.1: A 13 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 1 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 1 GLN N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0827 USER MOD Single : A 4 ASN : amide:sc= 0.227 K(o=0.23,f=-1.9!) USER MOD Single : A 8 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot -43:sc= 1.4 USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 LYS NZ :NH3+ -152:sc= -0.0889 (180deg=-0.44) USER MOD Single : A 19 GLN : amide:sc= -0.0151 K(o=-0.015,f=-0.85) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 MET CE :methyl 147:sc= -0.582 (180deg=-1.37) USER MOD Single : A 25 LYS NZ :NH3+ 146:sc= -0.0248 (180deg=-0.976) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -1.76 K(o=-1.8,f=-4.5!) USER MOD Single : A 31 CYS SG : rot -40:sc= -1.59 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 MET CE :methyl -159:sc= -0.0399 (180deg=-0.296) USER MOD Single : A 39 GLN : amide:sc= -2.63 K(o=-2.6,f=-4.3!) USER MOD Single : A 40 SER OG : rot 48:sc= 0.00366 USER MOD Single : A 46 ASN : amide:sc= -1.5 K(o=-1.5,f=-2.7!) USER MOD Single : A 48 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.0111) USER MOD Single : A 50 ASN : amide:sc= -1.03 K(o=-1,f=-3!) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= -1.52 X(o=-1.5,f=-1.7) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0.0259 USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc= -0.946 K(o=-0.95,f=-3.9!) USER MOD Single : A 81 GLN : amide:sc= 0.206 X(o=0.21,f=-0.017) USER MOD Single : A 83 SER OG : rot -140:sc= -1.42 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 90 SER OG : rot 54:sc= 0.846 USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 HIS : no HD1:sc= -0.751 X(o=-0.75,f=-1.2) USER MOD Single : A 103 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 105 SER OG : rot 84:sc= 0.12 USER MOD Single : A 106 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 110 LYS NZ :NH3+ 168:sc= -0.217 (180deg=-0.584) USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 113 GLN : amide:sc= -0.0416 K(o=-0.042,f=-0.97) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 0.352 -0.088 -4.411 1.00 14.14 N ATOM 2 CA GLN A 1 -0.144 0.852 -3.412 1.00 74.11 C ATOM 3 C GLN A 1 0.925 1.878 -3.052 1.00 13.10 C ATOM 4 O GLN A 1 1.856 1.582 -2.303 1.00 14.41 O ATOM 5 CB GLN A 1 -0.594 0.104 -2.156 1.00 21.21 C ATOM 6 CG GLN A 1 -2.016 -0.426 -2.239 1.00 53.05 C ATOM 7 CD GLN A 1 -2.258 -1.600 -1.311 1.00 5.32 C ATOM 8 OE1 GLN A 1 -1.718 -1.652 -0.205 1.00 71.31 O ATOM 9 NE2 GLN A 1 -3.072 -2.550 -1.756 1.00 2.51 N ATOM 0 H1 GLN A 1 -0.393 -0.776 -4.640 1.00 14.14 H new ATOM 0 H2 GLN A 1 0.621 0.430 -5.272 1.00 14.14 H new ATOM 0 H3 GLN A 1 1.182 -0.589 -4.035 1.00 14.14 H new ATOM 0 HA GLN A 1 -0.998 1.379 -3.838 1.00 74.11 H new ATOM 0 HB2 GLN A 1 0.085 -0.729 -1.977 1.00 21.21 H new ATOM 0 HB3 GLN A 1 -0.513 0.771 -1.298 1.00 21.21 H new ATOM 0 HG2 GLN A 1 -2.713 0.375 -1.994 1.00 53.05 H new ATOM 0 HG3 GLN A 1 -2.227 -0.729 -3.264 1.00 53.05 H new ATOM 0 HE21 GLN A 1 -3.498 -2.466 -2.679 1.00 2.51 H new ATOM 0 HE22 GLN A 1 -3.272 -3.364 -1.175 1.00 2.51 H new ATOM 18 N SER A 2 0.785 3.085 -3.591 1.00 13.23 N ATOM 19 CA SER A 2 1.741 4.154 -3.329 1.00 41.54 C ATOM 20 C SER A 2 1.038 5.507 -3.261 1.00 65.00 C ATOM 21 O SER A 2 -0.186 5.579 -3.144 1.00 63.25 O ATOM 22 CB SER A 2 2.818 4.181 -4.416 1.00 22.24 C ATOM 23 OG SER A 2 2.403 4.955 -5.527 1.00 54.41 O ATOM 0 H SER A 2 0.019 3.347 -4.212 1.00 13.23 H new ATOM 0 HA SER A 2 2.211 3.959 -2.365 1.00 41.54 H new ATOM 0 HB2 SER A 2 3.741 4.592 -4.007 1.00 22.24 H new ATOM 0 HB3 SER A 2 3.038 3.164 -4.740 1.00 22.24 H new ATOM 0 HG SER A 2 3.109 4.957 -6.206 1.00 54.41 H new ATOM 29 N LEU A 3 1.822 6.578 -3.334 1.00 74.53 N ATOM 30 CA LEU A 3 1.276 7.930 -3.281 1.00 22.51 C ATOM 31 C LEU A 3 0.239 8.142 -4.379 1.00 44.23 C ATOM 32 O LEU A 3 0.073 7.300 -5.260 1.00 53.14 O ATOM 33 CB LEU A 3 2.399 8.959 -3.417 1.00 40.34 C ATOM 34 CG LEU A 3 3.288 8.824 -4.654 1.00 74.53 C ATOM 35 CD1 LEU A 3 3.462 10.171 -5.337 1.00 52.30 C ATOM 36 CD2 LEU A 3 4.640 8.236 -4.278 1.00 32.33 C ATOM 0 H LEU A 3 2.837 6.536 -3.430 1.00 74.53 H new ATOM 0 HA LEU A 3 0.787 8.061 -2.316 1.00 22.51 H new ATOM 0 HB2 LEU A 3 1.954 9.954 -3.421 1.00 40.34 H new ATOM 0 HB3 LEU A 3 3.031 8.896 -2.531 1.00 40.34 H new ATOM 0 HG LEU A 3 2.801 8.145 -5.354 1.00 74.53 H new ATOM 0 HD11 LEU A 3 4.098 10.054 -6.215 1.00 52.30 H new ATOM 0 HD12 LEU A 3 2.488 10.553 -5.642 1.00 52.30 H new ATOM 0 HD13 LEU A 3 3.926 10.873 -4.644 1.00 52.30 H new ATOM 0 HD21 LEU A 3 5.259 8.147 -5.171 1.00 32.33 H new ATOM 0 HD22 LEU A 3 5.133 8.889 -3.558 1.00 32.33 H new ATOM 0 HD23 LEU A 3 4.498 7.250 -3.836 1.00 32.33 H new ATOM 48 N ASN A 4 -0.453 9.275 -4.321 1.00 34.13 N ATOM 49 CA ASN A 4 -1.473 9.599 -5.312 1.00 10.44 C ATOM 50 C ASN A 4 -0.865 9.691 -6.708 1.00 20.01 C ATOM 51 O ASN A 4 0.334 9.913 -6.876 1.00 62.14 O ATOM 52 CB ASN A 4 -2.159 10.919 -4.954 1.00 53.44 C ATOM 53 CG ASN A 4 -1.174 11.978 -4.497 1.00 72.04 C ATOM 54 OD1 ASN A 4 -0.717 11.964 -3.355 1.00 24.25 O ATOM 55 ND2 ASN A 4 -0.843 12.903 -5.391 1.00 13.13 N ATOM 0 H ASN A 4 -0.326 9.984 -3.599 1.00 34.13 H new ATOM 0 HA ASN A 4 -2.214 8.800 -5.310 1.00 10.44 H new ATOM 0 HB2 ASN A 4 -2.707 11.287 -5.821 1.00 53.44 H new ATOM 0 HB3 ASN A 4 -2.891 10.743 -4.165 1.00 53.44 H new ATOM 0 HD21 ASN A 4 -0.185 13.641 -5.141 1.00 13.13 H new ATOM 0 HD22 ASN A 4 -1.247 12.875 -6.327 1.00 13.13 H new ATOM 62 N PRO A 5 -1.711 9.517 -7.734 1.00 62.32 N ATOM 63 CA PRO A 5 -1.280 9.576 -9.134 1.00 41.41 C ATOM 64 C PRO A 5 -0.896 10.988 -9.563 1.00 1.53 C ATOM 65 O PRO A 5 -0.048 11.173 -10.435 1.00 4.42 O ATOM 66 CB PRO A 5 -2.513 9.100 -9.905 1.00 52.25 C ATOM 67 CG PRO A 5 -3.663 9.414 -9.012 1.00 33.41 C ATOM 68 CD PRO A 5 -3.153 9.249 -7.607 1.00 72.41 C ATOM 0 HA PRO A 5 -0.390 8.973 -9.312 1.00 41.41 H new ATOM 0 HB2 PRO A 5 -2.604 9.613 -10.862 1.00 52.25 H new ATOM 0 HB3 PRO A 5 -2.458 8.033 -10.119 1.00 52.25 H new ATOM 0 HG2 PRO A 5 -4.022 10.429 -9.180 1.00 33.41 H new ATOM 0 HG3 PRO A 5 -4.501 8.744 -9.204 1.00 33.41 H new ATOM 0 HD2 PRO A 5 -3.633 9.947 -6.921 1.00 72.41 H new ATOM 0 HD3 PRO A 5 -3.343 8.246 -7.226 1.00 72.41 H new ATOM 76 N ALA A 6 -1.526 11.982 -8.944 1.00 24.34 N ATOM 77 CA ALA A 6 -1.248 13.377 -9.260 1.00 4.23 C ATOM 78 C ALA A 6 -1.389 13.640 -10.755 1.00 50.01 C ATOM 79 O ALA A 6 -0.776 14.563 -11.294 1.00 74.45 O ATOM 80 CB ALA A 6 0.147 13.758 -8.784 1.00 54.34 C ATOM 0 H ALA A 6 -2.232 11.846 -8.221 1.00 24.34 H new ATOM 0 HA ALA A 6 -1.979 13.995 -8.739 1.00 4.23 H new ATOM 0 HB1 ALA A 6 0.341 14.803 -9.027 1.00 54.34 H new ATOM 0 HB2 ALA A 6 0.214 13.617 -7.705 1.00 54.34 H new ATOM 0 HB3 ALA A 6 0.885 13.127 -9.279 1.00 54.34 H new ATOM 86 N LEU A 7 -2.199 12.824 -11.420 1.00 70.14 N ATOM 87 CA LEU A 7 -2.421 12.968 -12.855 1.00 65.11 C ATOM 88 C LEU A 7 -3.792 13.572 -13.136 1.00 55.33 C ATOM 89 O LEU A 7 -3.925 14.479 -13.958 1.00 5.13 O ATOM 90 CB LEU A 7 -2.297 11.610 -13.549 1.00 3.30 C ATOM 91 CG LEU A 7 -0.928 11.285 -14.148 1.00 21.01 C ATOM 92 CD1 LEU A 7 -0.753 9.781 -14.295 1.00 54.42 C ATOM 93 CD2 LEU A 7 -0.755 11.978 -15.492 1.00 34.04 C ATOM 0 H LEU A 7 -2.713 12.056 -10.989 1.00 70.14 H new ATOM 0 HA LEU A 7 -1.660 13.642 -13.249 1.00 65.11 H new ATOM 0 HB2 LEU A 7 -2.550 10.832 -12.829 1.00 3.30 H new ATOM 0 HB3 LEU A 7 -3.040 11.562 -14.345 1.00 3.30 H new ATOM 0 HG LEU A 7 -0.159 11.655 -13.470 1.00 21.01 H new ATOM 0 HD11 LEU A 7 0.227 9.569 -14.723 1.00 54.42 H new ATOM 0 HD12 LEU A 7 -0.832 9.308 -13.316 1.00 54.42 H new ATOM 0 HD13 LEU A 7 -1.529 9.387 -14.952 1.00 54.42 H new ATOM 0 HD21 LEU A 7 0.225 11.735 -15.903 1.00 34.04 H new ATOM 0 HD22 LEU A 7 -1.531 11.639 -16.179 1.00 34.04 H new ATOM 0 HD23 LEU A 7 -0.835 13.057 -15.358 1.00 34.04 H new ATOM 105 N GLN A 8 -4.809 13.065 -12.447 1.00 75.34 N ATOM 106 CA GLN A 8 -6.171 13.556 -12.623 1.00 11.14 C ATOM 107 C GLN A 8 -6.710 14.142 -11.322 1.00 1.13 C ATOM 108 O GLN A 8 -7.801 13.788 -10.876 1.00 23.20 O ATOM 109 CB GLN A 8 -7.085 12.428 -13.105 1.00 2.13 C ATOM 110 CG GLN A 8 -6.666 11.834 -14.440 1.00 2.41 C ATOM 111 CD GLN A 8 -7.253 10.457 -14.676 1.00 22.30 C ATOM 112 OE1 GLN A 8 -8.427 10.214 -14.397 1.00 72.51 O ATOM 113 NE2 GLN A 8 -6.436 9.546 -15.193 1.00 35.22 N ATOM 0 H GLN A 8 -4.716 12.315 -11.762 1.00 75.34 H new ATOM 0 HA GLN A 8 -6.152 14.344 -13.376 1.00 11.14 H new ATOM 0 HB2 GLN A 8 -7.100 11.638 -12.354 1.00 2.13 H new ATOM 0 HB3 GLN A 8 -8.103 12.808 -13.189 1.00 2.13 H new ATOM 0 HG2 GLN A 8 -6.978 12.501 -15.244 1.00 2.41 H new ATOM 0 HG3 GLN A 8 -5.578 11.773 -14.481 1.00 2.41 H new ATOM 0 HE21 GLN A 8 -5.470 9.791 -15.409 1.00 35.22 H new ATOM 0 HE22 GLN A 8 -6.775 8.601 -15.374 1.00 35.22 H new ATOM 122 N GLU A 9 -5.937 15.040 -10.718 1.00 34.21 N ATOM 123 CA GLU A 9 -6.338 15.673 -9.467 1.00 42.42 C ATOM 124 C GLU A 9 -6.209 17.191 -9.560 1.00 43.14 C ATOM 125 O GLU A 9 -5.488 17.814 -8.780 1.00 64.35 O ATOM 126 CB GLU A 9 -5.487 15.148 -8.309 1.00 14.55 C ATOM 127 CG GLU A 9 -5.316 13.639 -8.315 1.00 20.34 C ATOM 128 CD GLU A 9 -4.404 13.151 -7.206 1.00 33.44 C ATOM 129 OE1 GLU A 9 -3.418 13.851 -6.896 1.00 61.13 O ATOM 130 OE2 GLU A 9 -4.678 12.068 -6.647 1.00 32.32 O ATOM 0 H GLU A 9 -5.031 15.345 -11.074 1.00 34.21 H new ATOM 0 HA GLU A 9 -7.383 15.425 -9.282 1.00 42.42 H new ATOM 0 HB2 GLU A 9 -4.504 15.617 -8.350 1.00 14.55 H new ATOM 0 HB3 GLU A 9 -5.945 15.450 -7.367 1.00 14.55 H new ATOM 0 HG2 GLU A 9 -6.293 13.166 -8.212 1.00 20.34 H new ATOM 0 HG3 GLU A 9 -4.911 13.327 -9.277 1.00 20.34 H new ATOM 137 N LYS A 10 -6.913 17.781 -10.521 1.00 25.13 N ATOM 138 CA LYS A 10 -6.879 19.225 -10.718 1.00 1.24 C ATOM 139 C LYS A 10 -7.762 19.934 -9.696 1.00 4.44 C ATOM 140 O LYS A 10 -8.698 20.647 -10.059 1.00 30.21 O ATOM 141 CB LYS A 10 -7.336 19.578 -12.135 1.00 13.33 C ATOM 142 CG LYS A 10 -6.318 19.231 -13.207 1.00 2.43 C ATOM 143 CD LYS A 10 -6.815 19.609 -14.592 1.00 14.22 C ATOM 144 CE LYS A 10 -5.871 20.585 -15.276 1.00 41.34 C ATOM 145 NZ LYS A 10 -6.471 21.165 -16.510 1.00 10.44 N ATOM 0 H LYS A 10 -7.514 17.280 -11.176 1.00 25.13 H new ATOM 0 HA LYS A 10 -5.851 19.562 -10.580 1.00 1.24 H new ATOM 0 HB2 LYS A 10 -8.268 19.055 -12.348 1.00 13.33 H new ATOM 0 HB3 LYS A 10 -7.552 20.645 -12.183 1.00 13.33 H new ATOM 0 HG2 LYS A 10 -5.381 19.749 -13.002 1.00 2.43 H new ATOM 0 HG3 LYS A 10 -6.105 18.163 -13.175 1.00 2.43 H new ATOM 0 HD2 LYS A 10 -6.915 18.711 -15.201 1.00 14.22 H new ATOM 0 HD3 LYS A 10 -7.807 20.054 -14.515 1.00 14.22 H new ATOM 0 HE2 LYS A 10 -5.615 21.388 -14.585 1.00 41.34 H new ATOM 0 HE3 LYS A 10 -4.942 20.074 -15.529 1.00 41.34 H new ATOM 0 HZ1 LYS A 10 -5.796 21.825 -16.947 1.00 10.44 H new ATOM 0 HZ2 LYS A 10 -6.692 20.401 -17.181 1.00 10.44 H new ATOM 0 HZ3 LYS A 10 -7.344 21.674 -16.265 1.00 10.44 H new ATOM 159 N ILE A 11 -7.456 19.736 -8.418 1.00 33.22 N ATOM 160 CA ILE A 11 -8.221 20.359 -7.344 1.00 62.25 C ATOM 161 C ILE A 11 -8.195 21.879 -7.462 1.00 22.02 C ATOM 162 O ILE A 11 -7.202 22.461 -7.899 1.00 54.21 O ATOM 163 CB ILE A 11 -7.682 19.953 -5.960 1.00 64.32 C ATOM 164 CG1 ILE A 11 -8.628 20.434 -4.859 1.00 35.43 C ATOM 165 CG2 ILE A 11 -6.285 20.517 -5.749 1.00 43.43 C ATOM 166 CD1 ILE A 11 -10.018 19.844 -4.956 1.00 70.04 C ATOM 0 H ILE A 11 -6.684 19.149 -8.101 1.00 33.22 H new ATOM 0 HA ILE A 11 -9.248 20.007 -7.442 1.00 62.25 H new ATOM 0 HB ILE A 11 -7.624 18.866 -5.914 1.00 64.32 H new ATOM 0 HG12 ILE A 11 -8.201 20.181 -3.888 1.00 35.43 H new ATOM 0 HG13 ILE A 11 -8.700 21.521 -4.902 1.00 35.43 H new ATOM 0 HG21 ILE A 11 -5.918 20.221 -4.766 1.00 43.43 H new ATOM 0 HG22 ILE A 11 -5.616 20.130 -6.518 1.00 43.43 H new ATOM 0 HG23 ILE A 11 -6.318 21.605 -5.812 1.00 43.43 H new ATOM 0 HD11 ILE A 11 -10.634 20.229 -4.144 1.00 70.04 H new ATOM 0 HD12 ILE A 11 -10.464 20.119 -5.912 1.00 70.04 H new ATOM 0 HD13 ILE A 11 -9.958 18.758 -4.883 1.00 70.04 H new ATOM 178 N SER A 12 -9.292 22.516 -7.066 1.00 52.44 N ATOM 179 CA SER A 12 -9.397 23.969 -7.129 1.00 5.52 C ATOM 180 C SER A 12 -9.397 24.452 -8.576 1.00 53.40 C ATOM 181 O SER A 12 -8.473 24.169 -9.339 1.00 2.23 O ATOM 182 CB SER A 12 -8.242 24.618 -6.363 1.00 44.24 C ATOM 183 OG SER A 12 -7.185 24.972 -7.239 1.00 23.14 O ATOM 0 H SER A 12 -10.121 22.049 -6.698 1.00 52.44 H new ATOM 0 HA SER A 12 -10.340 24.261 -6.667 1.00 5.52 H new ATOM 0 HB2 SER A 12 -8.600 25.506 -5.842 1.00 44.24 H new ATOM 0 HB3 SER A 12 -7.873 23.930 -5.602 1.00 44.24 H new ATOM 0 HG SER A 12 -7.035 24.246 -7.880 1.00 23.14 H new ATOM 189 N THR A 13 -10.443 25.184 -8.949 1.00 1.34 N ATOM 190 CA THR A 13 -10.566 25.706 -10.304 1.00 15.34 C ATOM 191 C THR A 13 -10.519 27.230 -10.312 1.00 71.03 C ATOM 192 O THR A 13 -9.521 27.826 -10.714 1.00 44.23 O ATOM 193 CB THR A 13 -11.876 25.241 -10.968 1.00 31.03 C ATOM 194 OG1 THR A 13 -12.854 24.942 -9.965 1.00 52.05 O ATOM 195 CG2 THR A 13 -11.637 24.013 -11.833 1.00 34.32 C ATOM 0 H THR A 13 -11.217 25.428 -8.331 1.00 1.34 H new ATOM 0 HA THR A 13 -9.721 25.316 -10.871 1.00 15.34 H new ATOM 0 HB THR A 13 -12.243 26.047 -11.603 1.00 31.03 H new ATOM 0 HG1 THR A 13 -13.684 24.649 -10.395 1.00 52.05 H new ATOM 0 HG21 THR A 13 -12.576 23.703 -12.292 1.00 34.32 H new ATOM 0 HG22 THR A 13 -10.914 24.252 -12.613 1.00 34.32 H new ATOM 0 HG23 THR A 13 -11.250 23.203 -11.215 1.00 34.32 H new ATOM 203 N GLU A 14 -11.605 27.854 -9.866 1.00 22.24 N ATOM 204 CA GLU A 14 -11.685 29.309 -9.823 1.00 15.12 C ATOM 205 C GLU A 14 -11.329 29.833 -8.435 1.00 4.13 C ATOM 206 O GLU A 14 -11.463 31.025 -8.155 1.00 44.32 O ATOM 207 CB GLU A 14 -13.090 29.776 -10.211 1.00 31.14 C ATOM 208 CG GLU A 14 -13.152 31.234 -10.632 1.00 51.33 C ATOM 209 CD GLU A 14 -14.390 31.554 -11.448 1.00 30.34 C ATOM 210 OE1 GLU A 14 -15.487 31.095 -11.064 1.00 43.22 O ATOM 211 OE2 GLU A 14 -14.263 32.261 -12.468 1.00 45.35 O ATOM 0 H GLU A 14 -12.440 27.375 -9.530 1.00 22.24 H new ATOM 0 HA GLU A 14 -10.966 29.708 -10.539 1.00 15.12 H new ATOM 0 HB2 GLU A 14 -13.458 29.155 -11.028 1.00 31.14 H new ATOM 0 HB3 GLU A 14 -13.761 29.622 -9.366 1.00 31.14 H new ATOM 0 HG2 GLU A 14 -13.134 31.866 -9.744 1.00 51.33 H new ATOM 0 HG3 GLU A 14 -12.264 31.478 -11.215 1.00 51.33 H new ATOM 218 N LEU A 15 -10.874 28.934 -7.568 1.00 53.34 N ATOM 219 CA LEU A 15 -10.498 29.304 -6.208 1.00 52.44 C ATOM 220 C LEU A 15 -11.732 29.454 -5.324 1.00 2.41 C ATOM 221 O LEU A 15 -11.622 29.584 -4.106 1.00 1.14 O ATOM 222 CB LEU A 15 -9.700 30.610 -6.216 1.00 74.42 C ATOM 223 CG LEU A 15 -8.618 30.741 -5.144 1.00 41.02 C ATOM 224 CD1 LEU A 15 -7.252 30.404 -5.721 1.00 43.32 C ATOM 225 CD2 LEU A 15 -8.619 32.144 -4.554 1.00 61.24 C ATOM 0 H LEU A 15 -10.757 27.944 -7.783 1.00 53.34 H new ATOM 0 HA LEU A 15 -9.876 28.508 -5.800 1.00 52.44 H new ATOM 0 HB2 LEU A 15 -9.230 30.720 -7.193 1.00 74.42 H new ATOM 0 HB3 LEU A 15 -10.398 31.440 -6.103 1.00 74.42 H new ATOM 0 HG LEU A 15 -8.837 30.033 -4.345 1.00 41.02 H new ATOM 0 HD11 LEU A 15 -6.494 30.503 -4.944 1.00 43.32 H new ATOM 0 HD12 LEU A 15 -7.257 29.380 -6.095 1.00 43.32 H new ATOM 0 HD13 LEU A 15 -7.024 31.087 -6.539 1.00 43.32 H new ATOM 0 HD21 LEU A 15 -7.843 32.219 -3.793 1.00 61.24 H new ATOM 0 HD22 LEU A 15 -8.425 32.871 -5.343 1.00 61.24 H new ATOM 0 HD23 LEU A 15 -9.590 32.348 -4.103 1.00 61.24 H new ATOM 237 N ASN A 16 -12.906 29.433 -5.946 1.00 41.53 N ATOM 238 CA ASN A 16 -14.161 29.565 -5.215 1.00 40.43 C ATOM 239 C ASN A 16 -14.767 28.196 -4.924 1.00 13.12 C ATOM 240 O ASN A 16 -15.221 27.931 -3.811 1.00 44.03 O ATOM 241 CB ASN A 16 -15.153 30.415 -6.012 1.00 44.43 C ATOM 242 CG ASN A 16 -15.188 31.856 -5.541 1.00 51.52 C ATOM 243 OD1 ASN A 16 -15.852 32.183 -4.557 1.00 51.44 O ATOM 244 ND2 ASN A 16 -14.472 32.726 -6.244 1.00 4.33 N ATOM 0 H ASN A 16 -13.015 29.326 -6.955 1.00 41.53 H new ATOM 0 HA ASN A 16 -13.950 30.059 -4.266 1.00 40.43 H new ATOM 0 HB2 ASN A 16 -14.885 30.387 -7.068 1.00 44.43 H new ATOM 0 HB3 ASN A 16 -16.150 29.983 -5.925 1.00 44.43 H new ATOM 0 HD21 ASN A 16 -14.458 33.710 -5.975 1.00 4.33 H new ATOM 0 HD22 ASN A 16 -13.937 32.410 -7.053 1.00 4.33 H new ATOM 251 N ASN A 17 -14.771 27.330 -5.932 1.00 23.23 N ATOM 252 CA ASN A 17 -15.321 25.987 -5.784 1.00 11.32 C ATOM 253 C ASN A 17 -14.359 25.087 -5.015 1.00 62.55 C ATOM 254 O ASN A 17 -14.764 24.080 -4.433 1.00 3.42 O ATOM 255 CB ASN A 17 -15.618 25.381 -7.157 1.00 13.31 C ATOM 256 CG ASN A 17 -16.478 26.289 -8.016 1.00 24.13 C ATOM 257 OD1 ASN A 17 -17.549 26.727 -7.596 1.00 41.22 O ATOM 258 ND2 ASN A 17 -16.010 26.575 -9.225 1.00 75.14 N ATOM 0 H ASN A 17 -14.400 27.534 -6.860 1.00 23.23 H new ATOM 0 HA ASN A 17 -16.250 26.062 -5.219 1.00 11.32 H new ATOM 0 HB2 ASN A 17 -14.679 25.179 -7.673 1.00 13.31 H new ATOM 0 HB3 ASN A 17 -16.122 24.423 -7.027 1.00 13.31 H new ATOM 0 HD21 ASN A 17 -16.544 27.181 -9.848 1.00 75.14 H new ATOM 0 HD22 ASN A 17 -15.117 26.189 -9.531 1.00 75.14 H new ATOM 265 N LYS A 18 -13.082 25.455 -5.018 1.00 53.22 N ATOM 266 CA LYS A 18 -12.061 24.683 -4.321 1.00 0.04 C ATOM 267 C LYS A 18 -12.462 24.436 -2.870 1.00 31.22 C ATOM 268 O LYS A 18 -12.097 23.419 -2.281 1.00 74.40 O ATOM 269 CB LYS A 18 -10.717 25.413 -4.372 1.00 22.11 C ATOM 270 CG LYS A 18 -10.634 26.602 -3.430 1.00 61.24 C ATOM 271 CD LYS A 18 -10.043 26.209 -2.087 1.00 1.02 C ATOM 272 CE LYS A 18 -8.999 27.213 -1.622 1.00 14.21 C ATOM 273 NZ LYS A 18 -7.827 27.259 -2.539 1.00 1.51 N ATOM 0 H LYS A 18 -12.730 26.284 -5.496 1.00 53.22 H new ATOM 0 HA LYS A 18 -11.964 23.720 -4.822 1.00 0.04 H new ATOM 0 HB2 LYS A 18 -9.921 24.709 -4.126 1.00 22.11 H new ATOM 0 HB3 LYS A 18 -10.537 25.755 -5.391 1.00 22.11 H new ATOM 0 HG2 LYS A 18 -10.024 27.384 -3.882 1.00 61.24 H new ATOM 0 HG3 LYS A 18 -11.630 27.020 -3.282 1.00 61.24 H new ATOM 0 HD2 LYS A 18 -10.838 26.139 -1.345 1.00 1.02 H new ATOM 0 HD3 LYS A 18 -9.590 25.220 -2.163 1.00 1.02 H new ATOM 0 HE2 LYS A 18 -9.450 28.203 -1.559 1.00 14.21 H new ATOM 0 HE3 LYS A 18 -8.665 26.951 -0.618 1.00 14.21 H new ATOM 0 HZ1 LYS A 18 -6.981 27.546 -2.007 1.00 1.51 H new ATOM 0 HZ2 LYS A 18 -7.673 26.318 -2.953 1.00 1.51 H new ATOM 0 HZ3 LYS A 18 -8.007 27.946 -3.299 1.00 1.51 H new ATOM 287 N GLN A 19 -13.215 25.372 -2.301 1.00 72.31 N ATOM 288 CA GLN A 19 -13.666 25.254 -0.919 1.00 61.44 C ATOM 289 C GLN A 19 -14.732 24.172 -0.785 1.00 73.43 C ATOM 290 O GLN A 19 -14.684 23.348 0.129 1.00 40.22 O ATOM 291 CB GLN A 19 -14.216 26.592 -0.424 1.00 4.31 C ATOM 292 CG GLN A 19 -13.460 27.156 0.769 1.00 50.34 C ATOM 293 CD GLN A 19 -13.886 28.570 1.114 1.00 31.51 C ATOM 294 OE1 GLN A 19 -14.225 29.361 0.234 1.00 71.13 O ATOM 295 NE2 GLN A 19 -13.871 28.895 2.402 1.00 74.54 N ATOM 0 H GLN A 19 -13.526 26.220 -2.775 1.00 72.31 H new ATOM 0 HA GLN A 19 -12.809 24.972 -0.307 1.00 61.44 H new ATOM 0 HB2 GLN A 19 -14.182 27.314 -1.240 1.00 4.31 H new ATOM 0 HB3 GLN A 19 -15.264 26.467 -0.153 1.00 4.31 H new ATOM 0 HG2 GLN A 19 -13.620 26.511 1.633 1.00 50.34 H new ATOM 0 HG3 GLN A 19 -12.391 27.144 0.556 1.00 50.34 H new ATOM 0 HE21 GLN A 19 -13.583 28.207 3.098 1.00 74.54 H new ATOM 0 HE22 GLN A 19 -14.148 29.832 2.695 1.00 74.54 H new ATOM 304 N TYR A 20 -15.694 24.179 -1.701 1.00 52.53 N ATOM 305 CA TYR A 20 -16.774 23.200 -1.684 1.00 15.33 C ATOM 306 C TYR A 20 -16.257 21.812 -2.047 1.00 72.13 C ATOM 307 O TYR A 20 -16.577 20.826 -1.384 1.00 60.22 O ATOM 308 CB TYR A 20 -17.882 23.614 -2.654 1.00 12.31 C ATOM 309 CG TYR A 20 -18.301 25.060 -2.514 1.00 4.53 C ATOM 310 CD1 TYR A 20 -18.613 25.597 -1.271 1.00 22.34 C ATOM 311 CD2 TYR A 20 -18.383 25.891 -3.625 1.00 22.03 C ATOM 312 CE1 TYR A 20 -18.996 26.917 -1.138 1.00 53.22 C ATOM 313 CE2 TYR A 20 -18.764 27.213 -3.502 1.00 10.15 C ATOM 314 CZ TYR A 20 -19.070 27.721 -2.256 1.00 52.44 C ATOM 315 OH TYR A 20 -19.450 29.038 -2.128 1.00 74.35 O ATOM 0 H TYR A 20 -15.748 24.852 -2.465 1.00 52.53 H new ATOM 0 HA TYR A 20 -17.181 23.163 -0.673 1.00 15.33 H new ATOM 0 HB2 TYR A 20 -17.543 23.440 -3.675 1.00 12.31 H new ATOM 0 HB3 TYR A 20 -18.751 22.976 -2.494 1.00 12.31 H new ATOM 0 HD1 TYR A 20 -18.555 24.971 -0.393 1.00 22.34 H new ATOM 0 HD2 TYR A 20 -18.145 25.496 -4.602 1.00 22.03 H new ATOM 0 HE1 TYR A 20 -19.236 27.317 -0.164 1.00 53.22 H new ATOM 0 HE2 TYR A 20 -18.822 27.845 -4.376 1.00 10.15 H new ATOM 0 HH TYR A 20 -19.450 29.466 -3.010 1.00 74.35 H new ATOM 325 N GLU A 21 -15.455 21.745 -3.105 1.00 73.44 N ATOM 326 CA GLU A 21 -14.893 20.477 -3.558 1.00 14.31 C ATOM 327 C GLU A 21 -14.041 19.839 -2.465 1.00 34.23 C ATOM 328 O GLU A 21 -14.147 18.641 -2.200 1.00 32.54 O ATOM 329 CB GLU A 21 -14.052 20.688 -4.818 1.00 44.20 C ATOM 330 CG GLU A 21 -14.583 19.951 -6.036 1.00 13.04 C ATOM 331 CD GLU A 21 -13.769 20.225 -7.285 1.00 50.11 C ATOM 332 OE1 GLU A 21 -13.336 21.381 -7.470 1.00 3.51 O ATOM 333 OE2 GLU A 21 -13.565 19.282 -8.078 1.00 51.13 O ATOM 0 H GLU A 21 -15.180 22.553 -3.664 1.00 73.44 H new ATOM 0 HA GLU A 21 -15.719 19.805 -3.790 1.00 14.31 H new ATOM 0 HB2 GLU A 21 -14.007 21.754 -5.040 1.00 44.20 H new ATOM 0 HB3 GLU A 21 -13.031 20.360 -4.622 1.00 44.20 H new ATOM 0 HG2 GLU A 21 -14.584 18.880 -5.836 1.00 13.04 H new ATOM 0 HG3 GLU A 21 -15.618 20.244 -6.210 1.00 13.04 H new ATOM 340 N LEU A 22 -13.197 20.647 -1.834 1.00 24.22 N ATOM 341 CA LEU A 22 -12.325 20.162 -0.769 1.00 40.02 C ATOM 342 C LEU A 22 -13.129 19.832 0.484 1.00 24.54 C ATOM 343 O LEU A 22 -12.781 18.919 1.235 1.00 52.23 O ATOM 344 CB LEU A 22 -11.256 21.207 -0.443 1.00 31.50 C ATOM 345 CG LEU A 22 -10.053 20.708 0.359 1.00 14.21 C ATOM 346 CD1 LEU A 22 -8.847 21.603 0.123 1.00 4.12 C ATOM 347 CD2 LEU A 22 -10.391 20.644 1.842 1.00 45.24 C ATOM 0 H LEU A 22 -13.097 21.641 -2.041 1.00 24.22 H new ATOM 0 HA LEU A 22 -11.839 19.251 -1.117 1.00 40.02 H new ATOM 0 HB2 LEU A 22 -10.893 21.631 -1.379 1.00 31.50 H new ATOM 0 HB3 LEU A 22 -11.727 22.018 0.112 1.00 31.50 H new ATOM 0 HG LEU A 22 -9.805 19.702 0.020 1.00 14.21 H new ATOM 0 HD11 LEU A 22 -8.001 21.233 0.701 1.00 4.12 H new ATOM 0 HD12 LEU A 22 -8.592 21.598 -0.937 1.00 4.12 H new ATOM 0 HD13 LEU A 22 -9.082 22.621 0.435 1.00 4.12 H new ATOM 0 HD21 LEU A 22 -9.524 20.287 2.398 1.00 45.24 H new ATOM 0 HD22 LEU A 22 -10.665 21.638 2.196 1.00 45.24 H new ATOM 0 HD23 LEU A 22 -11.227 19.961 1.996 1.00 45.24 H new ATOM 359 N PHE A 23 -14.206 20.578 0.704 1.00 21.13 N ATOM 360 CA PHE A 23 -15.060 20.364 1.866 1.00 33.44 C ATOM 361 C PHE A 23 -15.611 18.941 1.881 1.00 32.34 C ATOM 362 O PHE A 23 -15.527 18.242 2.891 1.00 14.10 O ATOM 363 CB PHE A 23 -16.214 21.369 1.870 1.00 5.15 C ATOM 364 CG PHE A 23 -16.087 22.422 2.934 1.00 10.11 C ATOM 365 CD1 PHE A 23 -15.889 22.067 4.259 1.00 51.22 C ATOM 366 CD2 PHE A 23 -16.165 23.767 2.609 1.00 35.32 C ATOM 367 CE1 PHE A 23 -15.773 23.034 5.239 1.00 11.14 C ATOM 368 CE2 PHE A 23 -16.050 24.738 3.586 1.00 42.24 C ATOM 369 CZ PHE A 23 -15.852 24.371 4.902 1.00 14.33 C ATOM 0 H PHE A 23 -14.508 21.336 0.093 1.00 21.13 H new ATOM 0 HA PHE A 23 -14.456 20.511 2.761 1.00 33.44 H new ATOM 0 HB2 PHE A 23 -16.267 21.853 0.895 1.00 5.15 H new ATOM 0 HB3 PHE A 23 -17.152 20.832 2.011 1.00 5.15 H new ATOM 0 HD1 PHE A 23 -15.825 21.023 4.528 1.00 51.22 H new ATOM 0 HD2 PHE A 23 -16.317 24.060 1.581 1.00 35.32 H new ATOM 0 HE1 PHE A 23 -15.621 22.744 6.268 1.00 11.14 H new ATOM 0 HE2 PHE A 23 -16.115 25.783 3.320 1.00 42.24 H new ATOM 0 HZ PHE A 23 -15.759 25.128 5.667 1.00 14.33 H new ATOM 379 N MET A 24 -16.175 18.519 0.754 1.00 12.13 N ATOM 380 CA MET A 24 -16.740 17.180 0.637 1.00 24.52 C ATOM 381 C MET A 24 -15.636 16.130 0.557 1.00 61.32 C ATOM 382 O MET A 24 -15.764 15.036 1.108 1.00 63.04 O ATOM 383 CB MET A 24 -17.638 17.088 -0.598 1.00 21.42 C ATOM 384 CG MET A 24 -19.119 16.997 -0.267 1.00 23.33 C ATOM 385 SD MET A 24 -19.789 18.552 0.352 1.00 41.22 S ATOM 386 CE MET A 24 -19.942 18.184 2.098 1.00 3.41 C ATOM 0 H MET A 24 -16.253 19.085 -0.091 1.00 12.13 H new ATOM 0 HA MET A 24 -17.338 16.986 1.527 1.00 24.52 H new ATOM 0 HB2 MET A 24 -17.468 17.962 -1.227 1.00 21.42 H new ATOM 0 HB3 MET A 24 -17.350 16.214 -1.182 1.00 21.42 H new ATOM 0 HG2 MET A 24 -19.669 16.698 -1.159 1.00 23.33 H new ATOM 0 HG3 MET A 24 -19.273 16.217 0.478 1.00 23.33 H new ATOM 0 HE1 MET A 24 -19.766 19.090 2.678 1.00 3.41 H new ATOM 0 HE2 MET A 24 -20.945 17.811 2.305 1.00 3.41 H new ATOM 0 HE3 MET A 24 -19.209 17.427 2.376 1.00 3.41 H new ATOM 396 N LYS A 25 -14.552 16.469 -0.133 1.00 71.31 N ATOM 397 CA LYS A 25 -13.425 15.556 -0.285 1.00 40.43 C ATOM 398 C LYS A 25 -12.807 15.224 1.069 1.00 0.42 C ATOM 399 O LYS A 25 -12.568 14.059 1.384 1.00 34.42 O ATOM 400 CB LYS A 25 -12.366 16.170 -1.204 1.00 72.13 C ATOM 401 CG LYS A 25 -11.033 15.443 -1.166 1.00 50.14 C ATOM 402 CD LYS A 25 -10.031 16.065 -2.125 1.00 13.22 C ATOM 403 CE LYS A 25 -9.118 17.052 -1.413 1.00 60.34 C ATOM 404 NZ LYS A 25 -8.105 16.360 -0.569 1.00 41.10 N ATOM 0 H LYS A 25 -14.430 17.370 -0.596 1.00 71.31 H new ATOM 0 HA LYS A 25 -13.795 14.633 -0.732 1.00 40.43 H new ATOM 0 HB2 LYS A 25 -12.741 16.170 -2.227 1.00 72.13 H new ATOM 0 HB3 LYS A 25 -12.211 17.211 -0.921 1.00 72.13 H new ATOM 0 HG2 LYS A 25 -10.632 15.469 -0.153 1.00 50.14 H new ATOM 0 HG3 LYS A 25 -11.182 14.394 -1.424 1.00 50.14 H new ATOM 0 HD2 LYS A 25 -9.431 15.280 -2.586 1.00 13.22 H new ATOM 0 HD3 LYS A 25 -10.563 16.574 -2.929 1.00 13.22 H new ATOM 0 HE2 LYS A 25 -8.612 17.676 -2.150 1.00 60.34 H new ATOM 0 HE3 LYS A 25 -9.717 17.717 -0.790 1.00 60.34 H new ATOM 0 HZ1 LYS A 25 -7.219 16.905 -0.572 1.00 41.10 H new ATOM 0 HZ2 LYS A 25 -8.460 16.282 0.405 1.00 41.10 H new ATOM 0 HZ3 LYS A 25 -7.927 15.409 -0.950 1.00 41.10 H new ATOM 418 N SER A 26 -12.551 16.256 1.867 1.00 54.41 N ATOM 419 CA SER A 26 -11.959 16.074 3.187 1.00 70.02 C ATOM 420 C SER A 26 -12.872 15.241 4.081 1.00 23.44 C ATOM 421 O SER A 26 -12.404 14.433 4.885 1.00 60.30 O ATOM 422 CB SER A 26 -11.687 17.431 3.839 1.00 32.11 C ATOM 423 OG SER A 26 -10.971 17.279 5.053 1.00 52.25 O ATOM 0 H SER A 26 -12.744 17.227 1.622 1.00 54.41 H new ATOM 0 HA SER A 26 -11.015 15.542 3.065 1.00 70.02 H new ATOM 0 HB2 SER A 26 -11.118 18.060 3.154 1.00 32.11 H new ATOM 0 HB3 SER A 26 -12.631 17.941 4.031 1.00 32.11 H new ATOM 0 HG SER A 26 -10.808 18.160 5.449 1.00 52.25 H new ATOM 429 N LEU A 27 -14.177 15.443 3.936 1.00 24.23 N ATOM 430 CA LEU A 27 -15.157 14.711 4.730 1.00 32.35 C ATOM 431 C LEU A 27 -15.248 13.257 4.278 1.00 34.10 C ATOM 432 O LEU A 27 -15.196 12.338 5.096 1.00 64.22 O ATOM 433 CB LEU A 27 -16.530 15.377 4.623 1.00 42.30 C ATOM 434 CG LEU A 27 -16.896 16.345 5.749 1.00 33.42 C ATOM 435 CD1 LEU A 27 -16.043 17.601 5.672 1.00 15.40 C ATOM 436 CD2 LEU A 27 -18.375 16.697 5.689 1.00 14.02 C ATOM 0 H LEU A 27 -14.581 16.108 3.276 1.00 24.23 H new ATOM 0 HA LEU A 27 -14.831 14.729 5.770 1.00 32.35 H new ATOM 0 HB2 LEU A 27 -16.577 15.917 3.677 1.00 42.30 H new ATOM 0 HB3 LEU A 27 -17.289 14.595 4.582 1.00 42.30 H new ATOM 0 HG LEU A 27 -16.698 15.855 6.702 1.00 33.42 H new ATOM 0 HD11 LEU A 27 -16.318 18.278 6.481 1.00 15.40 H new ATOM 0 HD12 LEU A 27 -14.991 17.332 5.765 1.00 15.40 H new ATOM 0 HD13 LEU A 27 -16.208 18.095 4.714 1.00 15.40 H new ATOM 0 HD21 LEU A 27 -18.618 17.387 6.497 1.00 14.02 H new ATOM 0 HD22 LEU A 27 -18.599 17.167 4.731 1.00 14.02 H new ATOM 0 HD23 LEU A 27 -18.970 15.790 5.795 1.00 14.02 H new ATOM 448 N ILE A 28 -15.383 13.057 2.971 1.00 34.35 N ATOM 449 CA ILE A 28 -15.478 11.715 2.411 1.00 73.34 C ATOM 450 C ILE A 28 -14.199 10.923 2.659 1.00 3.31 C ATOM 451 O ILE A 28 -14.243 9.777 3.105 1.00 54.32 O ATOM 452 CB ILE A 28 -15.757 11.756 0.896 1.00 32.25 C ATOM 453 CG1 ILE A 28 -17.133 12.367 0.626 1.00 53.53 C ATOM 454 CG2 ILE A 28 -15.667 10.358 0.303 1.00 22.21 C ATOM 455 CD1 ILE A 28 -18.283 11.486 1.061 1.00 63.42 C ATOM 0 H ILE A 28 -15.429 13.807 2.281 1.00 34.35 H new ATOM 0 HA ILE A 28 -16.310 11.222 2.913 1.00 73.34 H new ATOM 0 HB ILE A 28 -15.002 12.381 0.419 1.00 32.25 H new ATOM 0 HG12 ILE A 28 -17.204 13.324 1.143 1.00 53.53 H new ATOM 0 HG13 ILE A 28 -17.227 12.573 -0.440 1.00 53.53 H new ATOM 0 HG21 ILE A 28 -15.867 10.403 -0.768 1.00 22.21 H new ATOM 0 HG22 ILE A 28 -14.668 9.956 0.469 1.00 22.21 H new ATOM 0 HG23 ILE A 28 -16.402 9.712 0.782 1.00 22.21 H new ATOM 0 HD11 ILE A 28 -19.227 11.984 0.839 1.00 63.42 H new ATOM 0 HD12 ILE A 28 -18.238 10.538 0.525 1.00 63.42 H new ATOM 0 HD13 ILE A 28 -18.214 11.301 2.133 1.00 63.42 H new ATOM 467 N GLU A 29 -13.060 11.544 2.369 1.00 5.22 N ATOM 468 CA GLU A 29 -11.767 10.897 2.563 1.00 51.24 C ATOM 469 C GLU A 29 -11.522 10.602 4.040 1.00 42.54 C ATOM 470 O GLU A 29 -10.892 9.605 4.388 1.00 71.31 O ATOM 471 CB GLU A 29 -10.643 11.779 2.014 1.00 73.23 C ATOM 472 CG GLU A 29 -10.339 12.988 2.882 1.00 21.11 C ATOM 473 CD GLU A 29 -9.367 12.672 4.002 1.00 31.33 C ATOM 474 OE1 GLU A 29 -8.878 11.524 4.056 1.00 22.11 O ATOM 475 OE2 GLU A 29 -9.096 13.571 4.825 1.00 50.21 O ATOM 0 H GLU A 29 -13.006 12.493 1.999 1.00 5.22 H new ATOM 0 HA GLU A 29 -11.777 9.953 2.019 1.00 51.24 H new ATOM 0 HB2 GLU A 29 -9.739 11.179 1.912 1.00 73.23 H new ATOM 0 HB3 GLU A 29 -10.915 12.119 1.015 1.00 73.23 H new ATOM 0 HG2 GLU A 29 -9.926 13.782 2.260 1.00 21.11 H new ATOM 0 HG3 GLU A 29 -11.268 13.367 3.308 1.00 21.11 H new ATOM 482 N ASN A 30 -12.024 11.479 4.903 1.00 0.12 N ATOM 483 CA ASN A 30 -11.859 11.314 6.343 1.00 42.32 C ATOM 484 C ASN A 30 -12.617 10.087 6.840 1.00 5.03 C ATOM 485 O ASN A 30 -12.040 9.206 7.480 1.00 52.04 O ATOM 486 CB ASN A 30 -12.348 12.563 7.080 1.00 60.24 C ATOM 487 CG ASN A 30 -11.247 13.588 7.274 1.00 75.04 C ATOM 488 OD1 ASN A 30 -10.062 13.259 7.227 1.00 71.11 O ATOM 489 ND2 ASN A 30 -11.636 14.839 7.493 1.00 32.42 N ATOM 0 H ASN A 30 -12.548 12.311 4.631 1.00 0.12 H new ATOM 0 HA ASN A 30 -10.798 11.171 6.548 1.00 42.32 H new ATOM 0 HB2 ASN A 30 -13.167 13.015 6.520 1.00 60.24 H new ATOM 0 HB3 ASN A 30 -12.748 12.275 8.052 1.00 60.24 H new ATOM 0 HD21 ASN A 30 -10.941 15.573 7.630 1.00 32.42 H new ATOM 0 HD22 ASN A 30 -12.630 15.066 7.524 1.00 32.42 H new ATOM 496 N CYS A 31 -13.910 10.036 6.542 1.00 1.32 N ATOM 497 CA CYS A 31 -14.747 8.917 6.959 1.00 14.11 C ATOM 498 C CYS A 31 -14.343 7.637 6.236 1.00 71.33 C ATOM 499 O CYS A 31 -14.216 6.577 6.850 1.00 40.12 O ATOM 500 CB CYS A 31 -16.220 9.227 6.688 1.00 34.25 C ATOM 501 SG CYS A 31 -16.975 10.339 7.898 1.00 71.10 S ATOM 0 H CYS A 31 -14.402 10.756 6.013 1.00 1.32 H new ATOM 0 HA CYS A 31 -14.605 8.768 8.029 1.00 14.11 H new ATOM 0 HB2 CYS A 31 -16.310 9.671 5.697 1.00 34.25 H new ATOM 0 HB3 CYS A 31 -16.780 8.292 6.671 1.00 34.25 H new ATOM 0 HG CYS A 31 -16.554 10.034 9.089 1.00 71.10 H new ATOM 507 N LYS A 32 -14.144 7.741 4.926 1.00 22.12 N ATOM 508 CA LYS A 32 -13.754 6.592 4.117 1.00 14.02 C ATOM 509 C LYS A 32 -12.412 6.033 4.577 1.00 62.21 C ATOM 510 O LYS A 32 -12.153 4.835 4.458 1.00 43.11 O ATOM 511 CB LYS A 32 -13.676 6.985 2.640 1.00 13.23 C ATOM 512 CG LYS A 32 -13.284 5.838 1.725 1.00 35.13 C ATOM 513 CD LYS A 32 -13.064 6.313 0.299 1.00 75.43 C ATOM 514 CE LYS A 32 -11.737 5.817 -0.255 1.00 74.02 C ATOM 515 NZ LYS A 32 -11.728 5.805 -1.744 1.00 44.13 N ATOM 0 H LYS A 32 -14.247 8.610 4.402 1.00 22.12 H new ATOM 0 HA LYS A 32 -14.511 5.818 4.241 1.00 14.02 H new ATOM 0 HB2 LYS A 32 -14.644 7.375 2.325 1.00 13.23 H new ATOM 0 HB3 LYS A 32 -12.954 7.793 2.525 1.00 13.23 H new ATOM 0 HG2 LYS A 32 -12.374 5.369 2.098 1.00 35.13 H new ATOM 0 HG3 LYS A 32 -14.064 5.077 1.740 1.00 35.13 H new ATOM 0 HD2 LYS A 32 -13.878 5.959 -0.333 1.00 75.43 H new ATOM 0 HD3 LYS A 32 -13.088 7.402 0.269 1.00 75.43 H new ATOM 0 HE2 LYS A 32 -10.931 6.454 0.108 1.00 74.02 H new ATOM 0 HE3 LYS A 32 -11.541 4.812 0.118 1.00 74.02 H new ATOM 0 HZ1 LYS A 32 -10.807 5.461 -2.083 1.00 44.13 H new ATOM 0 HZ2 LYS A 32 -12.481 5.177 -2.091 1.00 44.13 H new ATOM 0 HZ3 LYS A 32 -11.890 6.769 -2.100 1.00 44.13 H new ATOM 529 N LYS A 33 -11.561 6.907 5.104 1.00 32.10 N ATOM 530 CA LYS A 33 -10.246 6.501 5.585 1.00 60.12 C ATOM 531 C LYS A 33 -10.370 5.484 6.715 1.00 61.11 C ATOM 532 O LYS A 33 -9.415 4.775 7.032 1.00 4.10 O ATOM 533 CB LYS A 33 -9.457 7.721 6.066 1.00 33.24 C ATOM 534 CG LYS A 33 -8.438 8.223 5.059 1.00 62.44 C ATOM 535 CD LYS A 33 -7.019 8.082 5.583 1.00 22.35 C ATOM 536 CE LYS A 33 -6.469 9.415 6.068 1.00 62.53 C ATOM 537 NZ LYS A 33 -4.980 9.429 6.079 1.00 23.34 N ATOM 0 H LYS A 33 -11.759 7.902 5.209 1.00 32.10 H new ATOM 0 HA LYS A 33 -9.712 6.034 4.757 1.00 60.12 H new ATOM 0 HB2 LYS A 33 -10.155 8.526 6.296 1.00 33.24 H new ATOM 0 HB3 LYS A 33 -8.944 7.468 6.994 1.00 33.24 H new ATOM 0 HG2 LYS A 33 -8.540 7.665 4.128 1.00 62.44 H new ATOM 0 HG3 LYS A 33 -8.639 9.269 4.827 1.00 62.44 H new ATOM 0 HD2 LYS A 33 -7.002 7.361 6.400 1.00 22.35 H new ATOM 0 HD3 LYS A 33 -6.377 7.687 4.796 1.00 22.35 H new ATOM 0 HE2 LYS A 33 -6.835 10.215 5.424 1.00 62.53 H new ATOM 0 HE3 LYS A 33 -6.842 9.618 7.072 1.00 62.53 H new ATOM 0 HZ1 LYS A 33 -4.644 10.354 6.415 1.00 23.34 H new ATOM 0 HZ2 LYS A 33 -4.630 8.682 6.713 1.00 23.34 H new ATOM 0 HZ3 LYS A 33 -4.624 9.261 5.116 1.00 23.34 H new ATOM 551 N ARG A 34 -11.552 5.417 7.318 1.00 74.14 N ATOM 552 CA ARG A 34 -11.801 4.486 8.412 1.00 44.21 C ATOM 553 C ARG A 34 -12.038 3.075 7.882 1.00 10.02 C ATOM 554 O ARG A 34 -12.204 2.132 8.654 1.00 32.40 O ATOM 555 CB ARG A 34 -13.007 4.943 9.235 1.00 45.12 C ATOM 556 CG ARG A 34 -12.884 4.635 10.718 1.00 4.22 C ATOM 557 CD ARG A 34 -14.082 5.156 11.496 1.00 20.23 C ATOM 558 NE ARG A 34 -13.708 6.206 12.440 1.00 42.14 N ATOM 559 CZ ARG A 34 -13.067 5.975 13.580 1.00 44.52 C ATOM 560 NH1 ARG A 34 -12.730 4.738 13.916 1.00 3.13 N ATOM 561 NH2 ARG A 34 -12.761 6.984 14.386 1.00 24.01 N ATOM 0 H ARG A 34 -12.353 5.997 7.067 1.00 74.14 H new ATOM 0 HA ARG A 34 -10.918 4.472 9.051 1.00 44.21 H new ATOM 0 HB2 ARG A 34 -13.139 6.017 9.105 1.00 45.12 H new ATOM 0 HB3 ARG A 34 -13.905 4.463 8.846 1.00 45.12 H new ATOM 0 HG2 ARG A 34 -12.796 3.558 10.861 1.00 4.22 H new ATOM 0 HG3 ARG A 34 -11.971 5.084 11.110 1.00 4.22 H new ATOM 0 HD2 ARG A 34 -14.826 5.543 10.800 1.00 20.23 H new ATOM 0 HD3 ARG A 34 -14.549 4.333 12.036 1.00 20.23 H new ATOM 0 HE ARG A 34 -13.953 7.169 12.211 1.00 42.14 H new ATOM 0 HH11 ARG A 34 -12.963 3.960 13.298 1.00 3.13 H new ATOM 0 HH12 ARG A 34 -12.238 4.564 14.792 1.00 3.13 H new ATOM 0 HH21 ARG A 34 -13.018 7.937 14.130 1.00 24.01 H new ATOM 0 HH22 ARG A 34 -12.269 6.806 15.261 1.00 24.01 H new ATOM 575 N ASN A 35 -12.053 2.940 6.560 1.00 30.51 N ATOM 576 CA ASN A 35 -12.271 1.644 5.927 1.00 33.00 C ATOM 577 C ASN A 35 -11.248 1.399 4.822 1.00 11.21 C ATOM 578 O ASN A 35 -10.498 0.425 4.862 1.00 24.22 O ATOM 579 CB ASN A 35 -13.687 1.566 5.353 1.00 73.32 C ATOM 580 CG ASN A 35 -14.649 0.850 6.281 1.00 31.15 C ATOM 581 OD1 ASN A 35 -15.018 -0.301 6.045 1.00 44.42 O ATOM 582 ND2 ASN A 35 -15.061 1.530 7.345 1.00 4.02 N ATOM 0 H ASN A 35 -11.917 3.711 5.907 1.00 30.51 H new ATOM 0 HA ASN A 35 -12.151 0.872 6.687 1.00 33.00 H new ATOM 0 HB2 ASN A 35 -14.054 2.574 5.161 1.00 73.32 H new ATOM 0 HB3 ASN A 35 -13.659 1.049 4.394 1.00 73.32 H new ATOM 0 HD21 ASN A 35 -15.709 1.100 8.005 1.00 4.02 H new ATOM 0 HD22 ASN A 35 -14.730 2.482 7.502 1.00 4.02 H new ATOM 589 N MET A 36 -11.224 2.291 3.837 1.00 13.01 N ATOM 590 CA MET A 36 -10.292 2.173 2.722 1.00 60.20 C ATOM 591 C MET A 36 -9.517 3.471 2.522 1.00 65.03 C ATOM 592 O MET A 36 -9.744 4.217 1.569 1.00 2.22 O ATOM 593 CB MET A 36 -11.042 1.810 1.439 1.00 63.23 C ATOM 594 CG MET A 36 -10.137 1.670 0.225 1.00 31.33 C ATOM 595 SD MET A 36 -10.770 0.487 -0.980 1.00 4.02 S ATOM 596 CE MET A 36 -10.477 -1.058 -0.123 1.00 74.50 C ATOM 0 H MET A 36 -11.839 3.103 3.788 1.00 13.01 H new ATOM 0 HA MET A 36 -9.582 1.379 2.956 1.00 60.20 H new ATOM 0 HB2 MET A 36 -11.577 0.873 1.593 1.00 63.23 H new ATOM 0 HB3 MET A 36 -11.791 2.575 1.237 1.00 63.23 H new ATOM 0 HG2 MET A 36 -10.023 2.643 -0.252 1.00 31.33 H new ATOM 0 HG3 MET A 36 -9.145 1.356 0.550 1.00 31.33 H new ATOM 0 HE1 MET A 36 -10.457 -1.876 -0.844 1.00 74.50 H new ATOM 0 HE2 MET A 36 -9.521 -1.009 0.398 1.00 74.50 H new ATOM 0 HE3 MET A 36 -11.275 -1.231 0.599 1.00 74.50 H new ATOM 606 N PRO A 37 -8.579 3.749 3.440 1.00 62.14 N ATOM 607 CA PRO A 37 -7.751 4.957 3.385 1.00 40.53 C ATOM 608 C PRO A 37 -6.753 4.925 2.232 1.00 22.54 C ATOM 609 O PRO A 37 -6.445 3.860 1.695 1.00 42.04 O ATOM 610 CB PRO A 37 -7.017 4.946 4.728 1.00 13.21 C ATOM 611 CG PRO A 37 -6.984 3.512 5.130 1.00 60.15 C ATOM 612 CD PRO A 37 -8.254 2.905 4.601 1.00 32.55 C ATOM 0 HA PRO A 37 -8.349 5.853 3.218 1.00 40.53 H new ATOM 0 HB2 PRO A 37 -6.011 5.354 4.632 1.00 13.21 H new ATOM 0 HB3 PRO A 37 -7.538 5.553 5.469 1.00 13.21 H new ATOM 0 HG2 PRO A 37 -6.109 3.010 4.716 1.00 60.15 H new ATOM 0 HG3 PRO A 37 -6.925 3.412 6.214 1.00 60.15 H new ATOM 0 HD2 PRO A 37 -8.112 1.863 4.313 1.00 32.55 H new ATOM 0 HD3 PRO A 37 -9.049 2.924 5.346 1.00 32.55 H new ATOM 620 N LEU A 38 -6.250 6.096 1.858 1.00 70.42 N ATOM 621 CA LEU A 38 -5.285 6.201 0.769 1.00 72.13 C ATOM 622 C LEU A 38 -3.882 6.461 1.307 1.00 30.45 C ATOM 623 O LEU A 38 -3.640 6.357 2.510 1.00 60.44 O ATOM 624 CB LEU A 38 -5.690 7.321 -0.192 1.00 35.55 C ATOM 625 CG LEU A 38 -5.485 7.036 -1.680 1.00 22.33 C ATOM 626 CD1 LEU A 38 -6.824 6.904 -2.388 1.00 71.20 C ATOM 627 CD2 LEU A 38 -4.646 8.131 -2.321 1.00 64.04 C ATOM 0 H LEU A 38 -6.494 6.986 2.292 1.00 70.42 H new ATOM 0 HA LEU A 38 -5.278 5.253 0.231 1.00 72.13 H new ATOM 0 HB2 LEU A 38 -6.743 7.550 -0.028 1.00 35.55 H new ATOM 0 HB3 LEU A 38 -5.125 8.217 0.067 1.00 35.55 H new ATOM 0 HG LEU A 38 -4.951 6.091 -1.779 1.00 22.33 H new ATOM 0 HD11 LEU A 38 -6.658 6.701 -3.446 1.00 71.20 H new ATOM 0 HD12 LEU A 38 -7.390 6.084 -1.946 1.00 71.20 H new ATOM 0 HD13 LEU A 38 -7.386 7.832 -2.280 1.00 71.20 H new ATOM 0 HD21 LEU A 38 -4.510 7.912 -3.380 1.00 64.04 H new ATOM 0 HD22 LEU A 38 -5.153 9.090 -2.211 1.00 64.04 H new ATOM 0 HD23 LEU A 38 -3.673 8.177 -1.832 1.00 64.04 H new ATOM 639 N GLN A 39 -2.963 6.801 0.410 1.00 64.21 N ATOM 640 CA GLN A 39 -1.584 7.077 0.796 1.00 10.03 C ATOM 641 C GLN A 39 -1.474 8.430 1.492 1.00 73.22 C ATOM 642 O GLN A 39 -0.783 8.565 2.501 1.00 12.54 O ATOM 643 CB GLN A 39 -0.672 7.046 -0.431 1.00 51.05 C ATOM 644 CG GLN A 39 0.609 6.256 -0.218 1.00 0.21 C ATOM 645 CD GLN A 39 0.409 4.763 -0.388 1.00 44.12 C ATOM 646 OE1 GLN A 39 -0.648 4.313 -0.830 1.00 70.14 O ATOM 647 NE2 GLN A 39 1.427 3.986 -0.038 1.00 22.45 N ATOM 0 H GLN A 39 -3.148 6.892 -0.589 1.00 64.21 H new ATOM 0 HA GLN A 39 -1.267 6.302 1.494 1.00 10.03 H new ATOM 0 HB2 GLN A 39 -1.219 6.615 -1.269 1.00 51.05 H new ATOM 0 HB3 GLN A 39 -0.416 8.068 -0.709 1.00 51.05 H new ATOM 0 HG2 GLN A 39 1.365 6.600 -0.924 1.00 0.21 H new ATOM 0 HG3 GLN A 39 0.992 6.456 0.783 1.00 0.21 H new ATOM 0 HE21 GLN A 39 2.285 4.402 0.324 1.00 22.45 H new ATOM 0 HE22 GLN A 39 1.351 2.973 -0.131 1.00 22.45 H new ATOM 656 N SER A 40 -2.160 9.428 0.945 1.00 51.42 N ATOM 657 CA SER A 40 -2.136 10.772 1.510 1.00 13.25 C ATOM 658 C SER A 40 -3.353 11.574 1.059 1.00 74.54 C ATOM 659 O SER A 40 -4.291 11.786 1.828 1.00 22.22 O ATOM 660 CB SER A 40 -0.853 11.498 1.101 1.00 31.13 C ATOM 661 OG SER A 40 0.037 11.617 2.197 1.00 0.15 O ATOM 0 H SER A 40 -2.739 9.331 0.111 1.00 51.42 H new ATOM 0 HA SER A 40 -2.164 10.682 2.596 1.00 13.25 H new ATOM 0 HB2 SER A 40 -0.367 10.955 0.291 1.00 31.13 H new ATOM 0 HB3 SER A 40 -1.098 12.489 0.718 1.00 31.13 H new ATOM 0 HG SER A 40 0.123 10.749 2.644 1.00 0.15 H new ATOM 667 N ILE A 41 -3.331 12.016 -0.194 1.00 62.32 N ATOM 668 CA ILE A 41 -4.432 12.793 -0.750 1.00 20.44 C ATOM 669 C ILE A 41 -5.193 11.993 -1.802 1.00 43.20 C ATOM 670 O ILE A 41 -4.804 11.928 -2.969 1.00 13.05 O ATOM 671 CB ILE A 41 -3.933 14.106 -1.380 1.00 64.23 C ATOM 672 CG1 ILE A 41 -3.161 14.932 -0.349 1.00 32.52 C ATOM 673 CG2 ILE A 41 -5.102 14.904 -1.938 1.00 63.43 C ATOM 674 CD1 ILE A 41 -3.982 15.297 0.868 1.00 25.15 C ATOM 0 H ILE A 41 -2.562 11.849 -0.844 1.00 62.32 H new ATOM 0 HA ILE A 41 -5.101 13.029 0.077 1.00 20.44 H new ATOM 0 HB ILE A 41 -3.259 13.864 -2.201 1.00 64.23 H new ATOM 0 HG12 ILE A 41 -2.282 14.371 -0.030 1.00 32.52 H new ATOM 0 HG13 ILE A 41 -2.802 15.846 -0.822 1.00 32.52 H new ATOM 0 HG21 ILE A 41 -4.733 15.829 -2.380 1.00 63.43 H new ATOM 0 HG22 ILE A 41 -5.613 14.316 -2.701 1.00 63.43 H new ATOM 0 HG23 ILE A 41 -5.799 15.139 -1.134 1.00 63.43 H new ATOM 0 HD11 ILE A 41 -3.372 15.882 1.556 1.00 25.15 H new ATOM 0 HD12 ILE A 41 -4.847 15.885 0.561 1.00 25.15 H new ATOM 0 HD13 ILE A 41 -4.320 14.388 1.365 1.00 25.15 H new ATOM 686 N PRO A 42 -6.305 11.371 -1.383 1.00 24.10 N ATOM 687 CA PRO A 42 -7.145 10.566 -2.275 1.00 12.45 C ATOM 688 C PRO A 42 -7.890 11.420 -3.296 1.00 21.34 C ATOM 689 O PRO A 42 -8.779 12.193 -2.941 1.00 22.14 O ATOM 690 CB PRO A 42 -8.133 9.893 -1.319 1.00 21.34 C ATOM 691 CG PRO A 42 -8.197 10.800 -0.139 1.00 13.30 C ATOM 692 CD PRO A 42 -6.827 11.405 -0.007 1.00 0.34 C ATOM 0 HA PRO A 42 -6.557 9.864 -2.866 1.00 12.45 H new ATOM 0 HB2 PRO A 42 -9.113 9.775 -1.781 1.00 21.34 H new ATOM 0 HB3 PRO A 42 -7.793 8.897 -1.035 1.00 21.34 H new ATOM 0 HG2 PRO A 42 -8.953 11.573 -0.281 1.00 13.30 H new ATOM 0 HG3 PRO A 42 -8.469 10.250 0.762 1.00 13.30 H new ATOM 0 HD2 PRO A 42 -6.873 12.423 0.380 1.00 0.34 H new ATOM 0 HD3 PRO A 42 -6.199 10.832 0.675 1.00 0.34 H new ATOM 700 N GLU A 43 -7.521 11.273 -4.564 1.00 40.13 N ATOM 701 CA GLU A 43 -8.155 12.032 -5.636 1.00 71.30 C ATOM 702 C GLU A 43 -8.100 11.263 -6.953 1.00 72.20 C ATOM 703 O GLU A 43 -7.095 10.627 -7.271 1.00 63.00 O ATOM 704 CB GLU A 43 -7.475 13.393 -5.799 1.00 34.12 C ATOM 705 CG GLU A 43 -7.912 14.418 -4.766 1.00 3.40 C ATOM 706 CD GLU A 43 -7.741 15.845 -5.252 1.00 22.42 C ATOM 707 OE1 GLU A 43 -7.951 16.090 -6.458 1.00 3.42 O ATOM 708 OE2 GLU A 43 -7.397 16.715 -4.425 1.00 13.23 O ATOM 0 H GLU A 43 -6.787 10.636 -4.874 1.00 40.13 H new ATOM 0 HA GLU A 43 -9.200 12.186 -5.368 1.00 71.30 H new ATOM 0 HB2 GLU A 43 -6.395 13.261 -5.733 1.00 34.12 H new ATOM 0 HB3 GLU A 43 -7.689 13.780 -6.795 1.00 34.12 H new ATOM 0 HG2 GLU A 43 -8.958 14.248 -4.511 1.00 3.40 H new ATOM 0 HG3 GLU A 43 -7.334 14.277 -3.853 1.00 3.40 H new ATOM 715 N ILE A 44 -9.188 11.326 -7.714 1.00 23.22 N ATOM 716 CA ILE A 44 -9.263 10.636 -8.996 1.00 15.51 C ATOM 717 C ILE A 44 -10.170 11.383 -9.968 1.00 75.35 C ATOM 718 O ILE A 44 -11.309 11.715 -9.641 1.00 60.05 O ATOM 719 CB ILE A 44 -9.782 9.196 -8.831 1.00 23.44 C ATOM 720 CG1 ILE A 44 -8.779 8.358 -8.034 1.00 14.23 C ATOM 721 CG2 ILE A 44 -10.042 8.567 -10.191 1.00 41.04 C ATOM 722 CD1 ILE A 44 -9.022 8.385 -6.541 1.00 22.32 C ATOM 0 H ILE A 44 -10.029 11.847 -7.465 1.00 23.22 H new ATOM 0 HA ILE A 44 -8.250 10.604 -9.398 1.00 15.51 H new ATOM 0 HB ILE A 44 -10.722 9.225 -8.281 1.00 23.44 H new ATOM 0 HG12 ILE A 44 -8.822 7.326 -8.382 1.00 14.23 H new ATOM 0 HG13 ILE A 44 -7.772 8.721 -8.237 1.00 14.23 H new ATOM 0 HG21 ILE A 44 -10.408 7.549 -10.057 1.00 41.04 H new ATOM 0 HG22 ILE A 44 -10.788 9.154 -10.727 1.00 41.04 H new ATOM 0 HG23 ILE A 44 -9.116 8.547 -10.765 1.00 41.04 H new ATOM 0 HD11 ILE A 44 -8.275 7.770 -6.040 1.00 22.32 H new ATOM 0 HD12 ILE A 44 -8.950 9.411 -6.179 1.00 22.32 H new ATOM 0 HD13 ILE A 44 -10.017 7.994 -6.327 1.00 22.32 H new ATOM 734 N GLY A 45 -9.658 11.642 -11.168 1.00 23.34 N ATOM 735 CA GLY A 45 -10.435 12.345 -12.171 1.00 13.33 C ATOM 736 C GLY A 45 -10.339 13.851 -12.028 1.00 2.30 C ATOM 737 O GLY A 45 -9.576 14.501 -12.742 1.00 15.32 O ATOM 0 H GLY A 45 -8.718 11.377 -11.463 1.00 23.34 H new ATOM 0 HA2 GLY A 45 -10.090 12.055 -13.163 1.00 13.33 H new ATOM 0 HA3 GLY A 45 -11.479 12.042 -12.096 1.00 13.33 H new ATOM 741 N ASN A 46 -11.115 14.407 -11.104 1.00 14.52 N ATOM 742 CA ASN A 46 -11.116 15.847 -10.871 1.00 43.35 C ATOM 743 C ASN A 46 -12.085 16.218 -9.753 1.00 22.52 C ATOM 744 O ASN A 46 -12.665 17.303 -9.755 1.00 12.24 O ATOM 745 CB ASN A 46 -11.492 16.592 -12.154 1.00 65.22 C ATOM 746 CG ASN A 46 -10.573 17.766 -12.431 1.00 42.04 C ATOM 747 OD1 ASN A 46 -9.840 17.775 -13.420 1.00 65.23 O ATOM 748 ND2 ASN A 46 -10.609 18.764 -11.557 1.00 4.54 N ATOM 0 H ASN A 46 -11.752 13.882 -10.504 1.00 14.52 H new ATOM 0 HA ASN A 46 -10.111 16.141 -10.568 1.00 43.35 H new ATOM 0 HB2 ASN A 46 -11.457 15.901 -12.996 1.00 65.22 H new ATOM 0 HB3 ASN A 46 -12.519 16.948 -12.076 1.00 65.22 H new ATOM 0 HD21 ASN A 46 -10.013 19.581 -11.691 1.00 4.54 H new ATOM 0 HD22 ASN A 46 -11.232 18.714 -10.751 1.00 4.54 H new ATOM 755 N ARG A 47 -12.254 15.308 -8.799 1.00 21.13 N ATOM 756 CA ARG A 47 -13.153 15.538 -7.674 1.00 43.32 C ATOM 757 C ARG A 47 -14.589 15.724 -8.155 1.00 61.12 C ATOM 758 O ARG A 47 -14.929 16.746 -8.751 1.00 4.41 O ATOM 759 CB ARG A 47 -12.707 16.768 -6.881 1.00 25.33 C ATOM 760 CG ARG A 47 -12.126 16.434 -5.516 1.00 44.13 C ATOM 761 CD ARG A 47 -10.808 15.686 -5.640 1.00 24.32 C ATOM 762 NE ARG A 47 -11.009 14.260 -5.884 1.00 44.04 N ATOM 763 CZ ARG A 47 -11.508 13.423 -4.982 1.00 70.22 C ATOM 764 NH1 ARG A 47 -11.856 13.866 -3.782 1.00 41.51 N ATOM 765 NH2 ARG A 47 -11.661 12.139 -5.280 1.00 21.23 N ATOM 0 H ARG A 47 -11.780 14.405 -8.783 1.00 21.13 H new ATOM 0 HA ARG A 47 -13.115 14.662 -7.026 1.00 43.32 H new ATOM 0 HB2 ARG A 47 -11.962 17.313 -7.460 1.00 25.33 H new ATOM 0 HB3 ARG A 47 -13.559 17.435 -6.751 1.00 25.33 H new ATOM 0 HG2 ARG A 47 -11.972 17.353 -4.950 1.00 44.13 H new ATOM 0 HG3 ARG A 47 -12.838 15.829 -4.954 1.00 44.13 H new ATOM 0 HD2 ARG A 47 -10.223 16.114 -6.454 1.00 24.32 H new ATOM 0 HD3 ARG A 47 -10.228 15.819 -4.727 1.00 24.32 H new ATOM 0 HE ARG A 47 -10.752 13.887 -6.798 1.00 44.04 H new ATOM 0 HH11 ARG A 47 -11.741 14.852 -3.549 1.00 41.51 H new ATOM 0 HH12 ARG A 47 -12.239 13.220 -3.091 1.00 41.51 H new ATOM 0 HH21 ARG A 47 -11.395 11.794 -6.202 1.00 21.23 H new ATOM 0 HH22 ARG A 47 -12.044 11.497 -4.587 1.00 21.23 H new ATOM 779 N LYS A 48 -15.428 14.728 -7.893 1.00 74.23 N ATOM 780 CA LYS A 48 -16.828 14.780 -8.298 1.00 72.10 C ATOM 781 C LYS A 48 -17.737 14.278 -7.180 1.00 42.23 C ATOM 782 O LYS A 48 -18.932 14.065 -7.388 1.00 3.22 O ATOM 783 CB LYS A 48 -17.047 13.944 -9.561 1.00 43.12 C ATOM 784 CG LYS A 48 -16.576 14.629 -10.833 1.00 14.03 C ATOM 785 CD LYS A 48 -16.757 13.734 -12.048 1.00 4.35 C ATOM 786 CE LYS A 48 -15.671 13.977 -13.084 1.00 64.14 C ATOM 787 NZ LYS A 48 -16.183 13.812 -14.473 1.00 42.10 N ATOM 0 H LYS A 48 -15.163 13.874 -7.402 1.00 74.23 H new ATOM 0 HA LYS A 48 -17.080 15.819 -8.509 1.00 72.10 H new ATOM 0 HB2 LYS A 48 -16.522 12.995 -9.454 1.00 43.12 H new ATOM 0 HB3 LYS A 48 -18.108 13.713 -9.654 1.00 43.12 H new ATOM 0 HG2 LYS A 48 -17.133 15.555 -10.976 1.00 14.03 H new ATOM 0 HG3 LYS A 48 -15.525 14.901 -10.733 1.00 14.03 H new ATOM 0 HD2 LYS A 48 -16.739 12.689 -11.738 1.00 4.35 H new ATOM 0 HD3 LYS A 48 -17.735 13.917 -12.494 1.00 4.35 H new ATOM 0 HE2 LYS A 48 -15.271 14.983 -12.962 1.00 64.14 H new ATOM 0 HE3 LYS A 48 -14.847 13.284 -12.916 1.00 64.14 H new ATOM 0 HZ1 LYS A 48 -15.422 14.019 -15.151 1.00 42.10 H new ATOM 0 HZ2 LYS A 48 -16.511 12.834 -14.608 1.00 42.10 H new ATOM 0 HZ3 LYS A 48 -16.975 14.467 -14.631 1.00 42.10 H new ATOM 801 N ILE A 49 -17.163 14.093 -5.996 1.00 73.01 N ATOM 802 CA ILE A 49 -17.923 13.619 -4.846 1.00 2.12 C ATOM 803 C ILE A 49 -18.579 14.779 -4.105 1.00 32.13 C ATOM 804 O ILE A 49 -19.260 14.581 -3.100 1.00 32.54 O ATOM 805 CB ILE A 49 -17.029 12.837 -3.865 1.00 14.55 C ATOM 806 CG1 ILE A 49 -16.089 11.904 -4.630 1.00 35.44 C ATOM 807 CG2 ILE A 49 -17.884 12.050 -2.883 1.00 21.23 C ATOM 808 CD1 ILE A 49 -14.684 12.445 -4.772 1.00 72.14 C ATOM 0 H ILE A 49 -16.175 14.264 -5.808 1.00 73.01 H new ATOM 0 HA ILE A 49 -18.696 12.953 -5.230 1.00 2.12 H new ATOM 0 HB ILE A 49 -16.424 13.547 -3.302 1.00 14.55 H new ATOM 0 HG12 ILE A 49 -16.049 10.942 -4.118 1.00 35.44 H new ATOM 0 HG13 ILE A 49 -16.501 11.720 -5.622 1.00 35.44 H new ATOM 0 HG21 ILE A 49 -17.239 11.502 -2.196 1.00 21.23 H new ATOM 0 HG22 ILE A 49 -18.515 12.736 -2.319 1.00 21.23 H new ATOM 0 HG23 ILE A 49 -18.512 11.346 -3.430 1.00 21.23 H new ATOM 0 HD11 ILE A 49 -14.073 11.731 -5.325 1.00 72.14 H new ATOM 0 HD12 ILE A 49 -14.712 13.392 -5.310 1.00 72.14 H new ATOM 0 HD13 ILE A 49 -14.253 12.602 -3.783 1.00 72.14 H new ATOM 820 N ASN A 50 -18.370 15.991 -4.610 1.00 35.52 N ATOM 821 CA ASN A 50 -18.943 17.183 -3.996 1.00 51.33 C ATOM 822 C ASN A 50 -20.437 17.281 -4.288 1.00 54.12 C ATOM 823 O ASN A 50 -20.917 16.778 -5.305 1.00 42.55 O ATOM 824 CB ASN A 50 -18.229 18.437 -4.506 1.00 54.00 C ATOM 825 CG ASN A 50 -18.685 19.693 -3.789 1.00 3.31 C ATOM 826 OD1 ASN A 50 -18.876 19.693 -2.573 1.00 25.43 O ATOM 827 ND2 ASN A 50 -18.861 20.773 -4.542 1.00 32.04 N ATOM 0 H ASN A 50 -17.809 16.173 -5.442 1.00 35.52 H new ATOM 0 HA ASN A 50 -18.806 17.108 -2.917 1.00 51.33 H new ATOM 0 HB2 ASN A 50 -17.153 18.318 -4.376 1.00 54.00 H new ATOM 0 HB3 ASN A 50 -18.411 18.546 -5.575 1.00 54.00 H new ATOM 0 HD21 ASN A 50 -19.166 21.648 -4.116 1.00 32.04 H new ATOM 0 HD22 ASN A 50 -18.691 20.728 -5.547 1.00 32.04 H new ATOM 834 N LEU A 51 -21.169 17.932 -3.390 1.00 24.51 N ATOM 835 CA LEU A 51 -22.609 18.097 -3.550 1.00 71.45 C ATOM 836 C LEU A 51 -22.922 19.096 -4.660 1.00 34.52 C ATOM 837 O LEU A 51 -24.025 19.105 -5.208 1.00 63.43 O ATOM 838 CB LEU A 51 -23.239 18.562 -2.236 1.00 44.34 C ATOM 839 CG LEU A 51 -24.698 18.163 -2.013 1.00 3.43 C ATOM 840 CD1 LEU A 51 -24.895 17.632 -0.601 1.00 54.15 C ATOM 841 CD2 LEU A 51 -25.620 19.345 -2.274 1.00 1.44 C ATOM 0 H LEU A 51 -20.788 18.354 -2.543 1.00 24.51 H new ATOM 0 HA LEU A 51 -23.032 17.131 -3.826 1.00 71.45 H new ATOM 0 HB2 LEU A 51 -22.645 18.167 -1.412 1.00 44.34 H new ATOM 0 HB3 LEU A 51 -23.169 19.649 -2.187 1.00 44.34 H new ATOM 0 HG LEU A 51 -24.950 17.370 -2.717 1.00 3.43 H new ATOM 0 HD11 LEU A 51 -25.939 17.353 -0.460 1.00 54.15 H new ATOM 0 HD12 LEU A 51 -24.262 16.758 -0.449 1.00 54.15 H new ATOM 0 HD13 LEU A 51 -24.625 18.405 0.119 1.00 54.15 H new ATOM 0 HD21 LEU A 51 -26.654 19.043 -2.110 1.00 1.44 H new ATOM 0 HD22 LEU A 51 -25.368 20.160 -1.595 1.00 1.44 H new ATOM 0 HD23 LEU A 51 -25.499 19.681 -3.304 1.00 1.44 H new ATOM 853 N PHE A 52 -21.945 19.934 -4.987 1.00 10.30 N ATOM 854 CA PHE A 52 -22.116 20.937 -6.032 1.00 62.21 C ATOM 855 C PHE A 52 -21.557 20.437 -7.361 1.00 53.34 C ATOM 856 O PHE A 52 -22.095 20.740 -8.427 1.00 14.45 O ATOM 857 CB PHE A 52 -21.424 22.242 -5.634 1.00 14.41 C ATOM 858 CG PHE A 52 -22.266 23.463 -5.872 1.00 51.44 C ATOM 859 CD1 PHE A 52 -22.292 24.070 -7.118 1.00 15.33 C ATOM 860 CD2 PHE A 52 -23.031 24.004 -4.852 1.00 32.15 C ATOM 861 CE1 PHE A 52 -23.065 25.194 -7.339 1.00 54.34 C ATOM 862 CE2 PHE A 52 -23.807 25.128 -5.067 1.00 65.45 C ATOM 863 CZ PHE A 52 -23.824 25.723 -6.314 1.00 33.15 C ATOM 0 H PHE A 52 -21.026 19.939 -4.544 1.00 10.30 H new ATOM 0 HA PHE A 52 -23.183 21.122 -6.153 1.00 62.21 H new ATOM 0 HB2 PHE A 52 -21.156 22.195 -4.578 1.00 14.41 H new ATOM 0 HB3 PHE A 52 -20.494 22.337 -6.195 1.00 14.41 H new ATOM 0 HD1 PHE A 52 -21.702 23.660 -7.924 1.00 15.33 H new ATOM 0 HD2 PHE A 52 -23.021 23.542 -3.876 1.00 32.15 H new ATOM 0 HE1 PHE A 52 -23.075 25.659 -8.314 1.00 54.34 H new ATOM 0 HE2 PHE A 52 -24.398 25.540 -4.262 1.00 65.45 H new ATOM 0 HZ PHE A 52 -24.430 26.600 -6.487 1.00 33.15 H new ATOM 873 N TYR A 53 -20.475 19.671 -7.290 1.00 44.05 N ATOM 874 CA TYR A 53 -19.840 19.131 -8.487 1.00 54.54 C ATOM 875 C TYR A 53 -20.679 18.008 -9.089 1.00 54.54 C ATOM 876 O TYR A 53 -20.994 18.022 -10.280 1.00 63.13 O ATOM 877 CB TYR A 53 -18.438 18.616 -8.159 1.00 34.23 C ATOM 878 CG TYR A 53 -17.491 18.644 -9.337 1.00 11.31 C ATOM 879 CD1 TYR A 53 -17.821 18.020 -10.534 1.00 20.03 C ATOM 880 CD2 TYR A 53 -16.266 19.294 -9.253 1.00 51.43 C ATOM 881 CE1 TYR A 53 -16.958 18.043 -11.613 1.00 35.34 C ATOM 882 CE2 TYR A 53 -15.398 19.324 -10.327 1.00 71.55 C ATOM 883 CZ TYR A 53 -15.749 18.696 -11.505 1.00 4.22 C ATOM 884 OH TYR A 53 -14.886 18.722 -12.577 1.00 30.33 O ATOM 0 H TYR A 53 -20.019 19.409 -6.416 1.00 44.05 H new ATOM 0 HA TYR A 53 -19.762 19.934 -9.219 1.00 54.54 H new ATOM 0 HB2 TYR A 53 -18.019 19.217 -7.352 1.00 34.23 H new ATOM 0 HB3 TYR A 53 -18.513 17.594 -7.788 1.00 34.23 H new ATOM 0 HD1 TYR A 53 -18.768 17.508 -10.622 1.00 20.03 H new ATOM 0 HD2 TYR A 53 -15.988 19.784 -8.332 1.00 51.43 H new ATOM 0 HE1 TYR A 53 -17.229 17.552 -12.536 1.00 35.34 H new ATOM 0 HE2 TYR A 53 -14.450 19.836 -10.246 1.00 71.55 H new ATOM 0 HH TYR A 53 -14.079 19.224 -12.336 1.00 30.33 H new ATOM 894 N LEU A 54 -21.040 17.037 -8.258 1.00 3.33 N ATOM 895 CA LEU A 54 -21.843 15.905 -8.706 1.00 15.33 C ATOM 896 C LEU A 54 -23.210 16.369 -9.199 1.00 51.33 C ATOM 897 O LEU A 54 -23.742 15.839 -10.175 1.00 31.43 O ATOM 898 CB LEU A 54 -22.015 14.895 -7.570 1.00 62.10 C ATOM 899 CG LEU A 54 -22.310 13.455 -7.991 1.00 63.05 C ATOM 900 CD1 LEU A 54 -23.664 13.366 -8.678 1.00 42.52 C ATOM 901 CD2 LEU A 54 -21.211 12.931 -8.905 1.00 12.01 C ATOM 0 H LEU A 54 -20.789 17.011 -7.270 1.00 3.33 H new ATOM 0 HA LEU A 54 -21.321 15.426 -9.534 1.00 15.33 H new ATOM 0 HB2 LEU A 54 -21.106 14.897 -6.968 1.00 62.10 H new ATOM 0 HB3 LEU A 54 -22.825 15.237 -6.926 1.00 62.10 H new ATOM 0 HG LEU A 54 -22.338 12.834 -7.096 1.00 63.05 H new ATOM 0 HD11 LEU A 54 -23.856 12.334 -8.970 1.00 42.52 H new ATOM 0 HD12 LEU A 54 -24.443 13.700 -7.992 1.00 42.52 H new ATOM 0 HD13 LEU A 54 -23.665 14.000 -9.564 1.00 42.52 H new ATOM 0 HD21 LEU A 54 -21.437 11.905 -9.195 1.00 12.01 H new ATOM 0 HD22 LEU A 54 -21.151 13.555 -9.797 1.00 12.01 H new ATOM 0 HD23 LEU A 54 -20.257 12.957 -8.379 1.00 12.01 H new ATOM 913 N TYR A 55 -23.772 17.364 -8.521 1.00 21.51 N ATOM 914 CA TYR A 55 -25.077 17.899 -8.890 1.00 42.22 C ATOM 915 C TYR A 55 -25.005 18.638 -10.223 1.00 71.43 C ATOM 916 O TYR A 55 -25.811 18.398 -11.122 1.00 41.11 O ATOM 917 CB TYR A 55 -25.592 18.841 -7.800 1.00 70.51 C ATOM 918 CG TYR A 55 -26.322 18.131 -6.682 1.00 62.43 C ATOM 919 CD1 TYR A 55 -25.796 16.983 -6.102 1.00 35.21 C ATOM 920 CD2 TYR A 55 -27.536 18.609 -6.206 1.00 34.52 C ATOM 921 CE1 TYR A 55 -26.460 16.331 -5.081 1.00 33.31 C ATOM 922 CE2 TYR A 55 -28.207 17.964 -5.184 1.00 65.32 C ATOM 923 CZ TYR A 55 -27.665 16.825 -4.625 1.00 63.04 C ATOM 924 OH TYR A 55 -28.328 16.179 -3.608 1.00 13.14 O ATOM 0 H TYR A 55 -23.344 17.816 -7.713 1.00 21.51 H new ATOM 0 HA TYR A 55 -25.768 17.063 -8.995 1.00 42.22 H new ATOM 0 HB2 TYR A 55 -24.750 19.392 -7.381 1.00 70.51 H new ATOM 0 HB3 TYR A 55 -26.261 19.574 -8.251 1.00 70.51 H new ATOM 0 HD1 TYR A 55 -24.852 16.594 -6.455 1.00 35.21 H new ATOM 0 HD2 TYR A 55 -27.963 19.500 -6.642 1.00 34.52 H new ATOM 0 HE1 TYR A 55 -26.038 15.439 -4.642 1.00 33.31 H new ATOM 0 HE2 TYR A 55 -29.150 18.349 -4.825 1.00 65.32 H new ATOM 0 HH TYR A 55 -29.160 16.656 -3.405 1.00 13.14 H new ATOM 934 N MET A 56 -24.033 19.536 -10.343 1.00 14.41 N ATOM 935 CA MET A 56 -23.854 20.309 -11.566 1.00 52.25 C ATOM 936 C MET A 56 -23.613 19.390 -12.760 1.00 5.04 C ATOM 937 O MET A 56 -24.097 19.647 -13.862 1.00 75.14 O ATOM 938 CB MET A 56 -22.685 21.283 -11.413 1.00 45.31 C ATOM 939 CG MET A 56 -22.541 22.249 -12.579 1.00 23.44 C ATOM 940 SD MET A 56 -20.866 22.897 -12.741 1.00 11.24 S ATOM 941 CE MET A 56 -20.278 21.966 -14.153 1.00 42.54 C ATOM 0 H MET A 56 -23.357 19.746 -9.608 1.00 14.41 H new ATOM 0 HA MET A 56 -24.768 20.875 -11.745 1.00 52.25 H new ATOM 0 HB2 MET A 56 -22.816 21.853 -10.493 1.00 45.31 H new ATOM 0 HB3 MET A 56 -21.761 20.715 -11.307 1.00 45.31 H new ATOM 0 HG2 MET A 56 -22.821 21.742 -13.502 1.00 23.44 H new ATOM 0 HG3 MET A 56 -23.236 23.078 -12.447 1.00 23.44 H new ATOM 0 HE1 MET A 56 -19.252 22.256 -14.378 1.00 42.54 H new ATOM 0 HE2 MET A 56 -20.313 20.900 -13.926 1.00 42.54 H new ATOM 0 HE3 MET A 56 -20.911 22.174 -15.015 1.00 42.54 H new ATOM 951 N LEU A 57 -22.860 18.319 -12.533 1.00 34.15 N ATOM 952 CA LEU A 57 -22.554 17.361 -13.589 1.00 52.14 C ATOM 953 C LEU A 57 -23.818 16.652 -14.065 1.00 53.42 C ATOM 954 O LEU A 57 -24.074 16.555 -15.266 1.00 23.15 O ATOM 955 CB LEU A 57 -21.535 16.333 -13.094 1.00 14.22 C ATOM 956 CG LEU A 57 -20.986 15.371 -14.147 1.00 42.04 C ATOM 957 CD1 LEU A 57 -21.988 14.263 -14.433 1.00 41.54 C ATOM 958 CD2 LEU A 57 -20.638 16.121 -15.425 1.00 0.11 C ATOM 0 H LEU A 57 -22.450 18.093 -11.627 1.00 34.15 H new ATOM 0 HA LEU A 57 -22.129 17.909 -14.430 1.00 52.14 H new ATOM 0 HB2 LEU A 57 -20.697 16.868 -12.648 1.00 14.22 H new ATOM 0 HB3 LEU A 57 -21.997 15.746 -12.301 1.00 14.22 H new ATOM 0 HG LEU A 57 -20.075 14.917 -13.756 1.00 42.04 H new ATOM 0 HD11 LEU A 57 -21.579 13.588 -15.185 1.00 41.54 H new ATOM 0 HD12 LEU A 57 -22.187 13.707 -13.517 1.00 41.54 H new ATOM 0 HD13 LEU A 57 -22.916 14.698 -14.802 1.00 41.54 H new ATOM 0 HD21 LEU A 57 -20.249 15.420 -16.164 1.00 0.11 H new ATOM 0 HD22 LEU A 57 -21.533 16.603 -15.819 1.00 0.11 H new ATOM 0 HD23 LEU A 57 -19.883 16.877 -15.209 1.00 0.11 H new ATOM 970 N VAL A 58 -24.608 16.161 -13.116 1.00 21.44 N ATOM 971 CA VAL A 58 -25.848 15.464 -13.437 1.00 63.11 C ATOM 972 C VAL A 58 -26.790 16.359 -14.234 1.00 34.14 C ATOM 973 O VAL A 58 -27.316 15.955 -15.271 1.00 3.43 O ATOM 974 CB VAL A 58 -26.568 14.983 -12.163 1.00 42.03 C ATOM 975 CG1 VAL A 58 -27.884 14.308 -12.517 1.00 31.44 C ATOM 976 CG2 VAL A 58 -25.673 14.044 -11.369 1.00 35.44 C ATOM 0 H VAL A 58 -24.411 16.233 -12.118 1.00 21.44 H new ATOM 0 HA VAL A 58 -25.577 14.598 -14.040 1.00 63.11 H new ATOM 0 HB VAL A 58 -26.789 15.850 -11.540 1.00 42.03 H new ATOM 0 HG11 VAL A 58 -28.379 13.975 -11.605 1.00 31.44 H new ATOM 0 HG12 VAL A 58 -28.527 15.016 -13.041 1.00 31.44 H new ATOM 0 HG13 VAL A 58 -27.691 13.449 -13.160 1.00 31.44 H new ATOM 0 HG21 VAL A 58 -26.197 13.714 -10.472 1.00 35.44 H new ATOM 0 HG22 VAL A 58 -25.420 13.178 -11.981 1.00 35.44 H new ATOM 0 HG23 VAL A 58 -24.760 14.566 -11.084 1.00 35.44 H new ATOM 986 N GLN A 59 -26.999 17.576 -13.741 1.00 73.43 N ATOM 987 CA GLN A 59 -27.879 18.528 -14.408 1.00 15.12 C ATOM 988 C GLN A 59 -27.403 18.807 -15.830 1.00 31.35 C ATOM 989 O GLN A 59 -28.210 19.010 -16.737 1.00 45.05 O ATOM 990 CB GLN A 59 -27.946 19.834 -13.615 1.00 14.35 C ATOM 991 CG GLN A 59 -28.931 20.842 -14.184 1.00 53.33 C ATOM 992 CD GLN A 59 -28.629 22.263 -13.751 1.00 3.12 C ATOM 993 OE1 GLN A 59 -27.659 22.870 -14.206 1.00 4.02 O ATOM 994 NE2 GLN A 59 -29.460 22.802 -12.866 1.00 43.24 N ATOM 0 H GLN A 59 -26.571 17.925 -12.883 1.00 73.43 H new ATOM 0 HA GLN A 59 -28.876 18.089 -14.458 1.00 15.12 H new ATOM 0 HB2 GLN A 59 -28.223 19.610 -12.585 1.00 14.35 H new ATOM 0 HB3 GLN A 59 -26.954 20.284 -13.588 1.00 14.35 H new ATOM 0 HG2 GLN A 59 -28.913 20.787 -15.272 1.00 53.33 H new ATOM 0 HG3 GLN A 59 -29.940 20.577 -13.868 1.00 53.33 H new ATOM 0 HE21 GLN A 59 -30.252 22.263 -12.515 1.00 43.24 H new ATOM 0 HE22 GLN A 59 -29.307 23.755 -12.537 1.00 43.24 H new ATOM 1003 N LYS A 60 -26.088 18.815 -16.016 1.00 43.15 N ATOM 1004 CA LYS A 60 -25.502 19.068 -17.328 1.00 33.22 C ATOM 1005 C LYS A 60 -25.730 17.884 -18.263 1.00 13.24 C ATOM 1006 O LYS A 60 -25.933 18.060 -19.464 1.00 62.43 O ATOM 1007 CB LYS A 60 -24.003 19.345 -17.195 1.00 52.10 C ATOM 1008 CG LYS A 60 -23.652 20.822 -17.231 1.00 14.53 C ATOM 1009 CD LYS A 60 -22.479 21.095 -18.157 1.00 20.22 C ATOM 1010 CE LYS A 60 -22.163 22.581 -18.234 1.00 74.34 C ATOM 1011 NZ LYS A 60 -21.776 22.994 -19.612 1.00 15.33 N ATOM 0 H LYS A 60 -25.407 18.649 -15.275 1.00 43.15 H new ATOM 0 HA LYS A 60 -25.991 19.944 -17.754 1.00 33.22 H new ATOM 0 HB2 LYS A 60 -23.645 18.918 -16.258 1.00 52.10 H new ATOM 0 HB3 LYS A 60 -23.475 18.835 -18.001 1.00 52.10 H new ATOM 0 HG2 LYS A 60 -24.518 21.395 -17.562 1.00 14.53 H new ATOM 0 HG3 LYS A 60 -23.409 21.164 -16.225 1.00 14.53 H new ATOM 0 HD2 LYS A 60 -21.602 20.553 -17.804 1.00 20.22 H new ATOM 0 HD3 LYS A 60 -22.706 20.718 -19.154 1.00 20.22 H new ATOM 0 HE2 LYS A 60 -23.033 23.155 -17.914 1.00 74.34 H new ATOM 0 HE3 LYS A 60 -21.354 22.817 -17.543 1.00 74.34 H new ATOM 0 HZ1 LYS A 60 -21.568 24.013 -19.624 1.00 15.33 H new ATOM 0 HZ2 LYS A 60 -20.931 22.465 -19.909 1.00 15.33 H new ATOM 0 HZ3 LYS A 60 -22.558 22.793 -20.267 1.00 15.33 H new ATOM 1025 N PHE A 61 -25.697 16.679 -17.703 1.00 54.32 N ATOM 1026 CA PHE A 61 -25.901 15.467 -18.487 1.00 70.41 C ATOM 1027 C PHE A 61 -27.377 15.279 -18.825 1.00 51.13 C ATOM 1028 O PHE A 61 -27.738 14.409 -19.616 1.00 73.04 O ATOM 1029 CB PHE A 61 -25.382 14.247 -17.723 1.00 33.21 C ATOM 1030 CG PHE A 61 -23.947 13.919 -18.020 1.00 1.21 C ATOM 1031 CD1 PHE A 61 -22.979 14.910 -18.003 1.00 44.24 C ATOM 1032 CD2 PHE A 61 -23.566 12.620 -18.315 1.00 43.21 C ATOM 1033 CE1 PHE A 61 -21.657 14.611 -18.277 1.00 53.42 C ATOM 1034 CE2 PHE A 61 -22.246 12.315 -18.589 1.00 43.43 C ATOM 1035 CZ PHE A 61 -21.290 13.312 -18.569 1.00 51.32 C ATOM 0 H PHE A 61 -25.531 16.516 -16.710 1.00 54.32 H new ATOM 0 HA PHE A 61 -25.344 15.569 -19.418 1.00 70.41 H new ATOM 0 HB2 PHE A 61 -25.492 14.425 -16.653 1.00 33.21 H new ATOM 0 HB3 PHE A 61 -26.002 13.384 -17.968 1.00 33.21 H new ATOM 0 HD1 PHE A 61 -23.260 15.927 -17.773 1.00 44.24 H new ATOM 0 HD2 PHE A 61 -24.309 11.837 -18.331 1.00 43.21 H new ATOM 0 HE1 PHE A 61 -20.912 15.393 -18.263 1.00 53.42 H new ATOM 0 HE2 PHE A 61 -21.962 11.298 -18.818 1.00 43.43 H new ATOM 0 HZ PHE A 61 -20.258 13.076 -18.781 1.00 51.32 H new ATOM 1045 N GLY A 62 -28.227 16.103 -18.219 1.00 24.35 N ATOM 1046 CA GLY A 62 -29.653 16.012 -18.467 1.00 35.41 C ATOM 1047 C GLY A 62 -30.384 15.252 -17.377 1.00 52.33 C ATOM 1048 O GLY A 62 -31.476 14.731 -17.599 1.00 53.35 O ATOM 0 H GLY A 62 -27.952 16.832 -17.561 1.00 24.35 H new ATOM 0 HA2 GLY A 62 -30.069 17.016 -18.547 1.00 35.41 H new ATOM 0 HA3 GLY A 62 -29.821 15.519 -19.425 1.00 35.41 H new ATOM 1052 N GLY A 63 -29.779 15.188 -16.195 1.00 72.30 N ATOM 1053 CA GLY A 63 -30.393 14.483 -15.085 1.00 72.20 C ATOM 1054 C GLY A 63 -29.886 13.061 -14.949 1.00 62.24 C ATOM 1055 O GLY A 63 -29.389 12.477 -15.912 1.00 54.45 O ATOM 0 H GLY A 63 -28.875 15.612 -15.986 1.00 72.30 H new ATOM 0 HA2 GLY A 63 -30.196 15.026 -14.160 1.00 72.20 H new ATOM 0 HA3 GLY A 63 -31.474 14.468 -15.222 1.00 72.20 H new ATOM 1059 N ALA A 64 -30.009 12.502 -13.750 1.00 0.22 N ATOM 1060 CA ALA A 64 -29.559 11.140 -13.492 1.00 34.12 C ATOM 1061 C ALA A 64 -30.157 10.164 -14.500 1.00 12.22 C ATOM 1062 O ALA A 64 -29.514 9.190 -14.891 1.00 75.23 O ATOM 1063 CB ALA A 64 -29.921 10.724 -12.074 1.00 13.34 C ATOM 0 H ALA A 64 -30.417 12.972 -12.942 1.00 0.22 H new ATOM 0 HA ALA A 64 -28.475 11.116 -13.601 1.00 34.12 H new ATOM 0 HB1 ALA A 64 -29.579 9.705 -11.895 1.00 13.34 H new ATOM 0 HB2 ALA A 64 -29.442 11.397 -11.364 1.00 13.34 H new ATOM 0 HB3 ALA A 64 -31.002 10.771 -11.946 1.00 13.34 H new ATOM 1069 N ASP A 65 -31.390 10.432 -14.916 1.00 31.04 N ATOM 1070 CA ASP A 65 -32.075 9.577 -15.879 1.00 3.52 C ATOM 1071 C ASP A 65 -31.343 9.573 -17.218 1.00 14.25 C ATOM 1072 O ASP A 65 -31.269 8.546 -17.891 1.00 75.01 O ATOM 1073 CB ASP A 65 -33.518 10.046 -16.073 1.00 44.02 C ATOM 1074 CG ASP A 65 -34.347 9.053 -16.863 1.00 73.00 C ATOM 1075 OD1 ASP A 65 -34.108 8.917 -18.081 1.00 30.51 O ATOM 1076 OD2 ASP A 65 -35.237 8.413 -16.264 1.00 23.25 O ATOM 0 H ASP A 65 -31.936 11.234 -14.602 1.00 31.04 H new ATOM 0 HA ASP A 65 -32.082 8.560 -15.486 1.00 3.52 H new ATOM 0 HB2 ASP A 65 -33.979 10.206 -15.098 1.00 44.02 H new ATOM 0 HB3 ASP A 65 -33.519 11.007 -16.588 1.00 44.02 H new ATOM 1081 N GLN A 66 -30.806 10.728 -17.596 1.00 51.42 N ATOM 1082 CA GLN A 66 -30.082 10.857 -18.855 1.00 54.35 C ATOM 1083 C GLN A 66 -28.761 10.097 -18.804 1.00 52.23 C ATOM 1084 O GLN A 66 -28.338 9.500 -19.794 1.00 44.43 O ATOM 1085 CB GLN A 66 -29.824 12.332 -19.171 1.00 74.41 C ATOM 1086 CG GLN A 66 -29.782 12.637 -20.660 1.00 22.32 C ATOM 1087 CD GLN A 66 -30.649 13.821 -21.038 1.00 2.43 C ATOM 1088 OE1 GLN A 66 -31.788 13.941 -20.586 1.00 31.10 O ATOM 1089 NE2 GLN A 66 -30.113 14.706 -21.871 1.00 22.22 N ATOM 0 H GLN A 66 -30.858 11.587 -17.049 1.00 51.42 H new ATOM 0 HA GLN A 66 -30.698 10.426 -19.645 1.00 54.35 H new ATOM 0 HB2 GLN A 66 -30.603 12.936 -18.707 1.00 74.41 H new ATOM 0 HB3 GLN A 66 -28.878 12.631 -18.720 1.00 74.41 H new ATOM 0 HG2 GLN A 66 -28.752 12.836 -20.957 1.00 22.32 H new ATOM 0 HG3 GLN A 66 -30.110 11.759 -21.216 1.00 22.32 H new ATOM 0 HE21 GLN A 66 -29.165 14.567 -22.222 1.00 22.22 H new ATOM 0 HE22 GLN A 66 -30.649 15.524 -22.160 1.00 22.22 H new ATOM 1098 N VAL A 67 -28.113 10.124 -17.644 1.00 34.42 N ATOM 1099 CA VAL A 67 -26.840 9.436 -17.463 1.00 53.51 C ATOM 1100 C VAL A 67 -27.017 7.924 -17.535 1.00 60.04 C ATOM 1101 O VAL A 67 -26.140 7.207 -18.019 1.00 53.12 O ATOM 1102 CB VAL A 67 -26.191 9.803 -16.115 1.00 72.32 C ATOM 1103 CG1 VAL A 67 -24.786 9.227 -16.025 1.00 51.11 C ATOM 1104 CG2 VAL A 67 -26.171 11.312 -15.927 1.00 11.04 C ATOM 0 H VAL A 67 -28.449 10.615 -16.815 1.00 34.42 H new ATOM 0 HA VAL A 67 -26.187 9.761 -18.273 1.00 53.51 H new ATOM 0 HB VAL A 67 -26.788 9.368 -15.313 1.00 72.32 H new ATOM 0 HG11 VAL A 67 -24.343 9.496 -15.066 1.00 51.11 H new ATOM 0 HG12 VAL A 67 -24.832 8.141 -16.112 1.00 51.11 H new ATOM 0 HG13 VAL A 67 -24.175 9.630 -16.833 1.00 51.11 H new ATOM 0 HG21 VAL A 67 -25.709 11.553 -14.970 1.00 11.04 H new ATOM 0 HG22 VAL A 67 -25.598 11.771 -16.732 1.00 11.04 H new ATOM 0 HG23 VAL A 67 -27.192 11.694 -15.944 1.00 11.04 H new ATOM 1114 N THR A 68 -28.158 7.443 -17.051 1.00 41.01 N ATOM 1115 CA THR A 68 -28.450 6.015 -17.060 1.00 14.32 C ATOM 1116 C THR A 68 -29.092 5.594 -18.377 1.00 34.45 C ATOM 1117 O THR A 68 -28.956 4.448 -18.805 1.00 72.34 O ATOM 1118 CB THR A 68 -29.385 5.626 -15.899 1.00 4.25 C ATOM 1119 OG1 THR A 68 -29.610 4.212 -15.904 1.00 3.04 O ATOM 1120 CG2 THR A 68 -30.715 6.357 -16.006 1.00 25.13 C ATOM 0 H THR A 68 -28.895 8.022 -16.648 1.00 41.01 H new ATOM 0 HA THR A 68 -27.499 5.497 -16.940 1.00 14.32 H new ATOM 0 HB THR A 68 -28.905 5.914 -14.964 1.00 4.25 H new ATOM 0 HG1 THR A 68 -30.204 3.973 -15.162 1.00 3.04 H new ATOM 0 HG21 THR A 68 -31.358 6.066 -15.175 1.00 25.13 H new ATOM 0 HG22 THR A 68 -30.543 7.433 -15.972 1.00 25.13 H new ATOM 0 HG23 THR A 68 -31.199 6.097 -16.948 1.00 25.13 H new ATOM 1128 N ARG A 69 -29.792 6.527 -19.014 1.00 62.31 N ATOM 1129 CA ARG A 69 -30.455 6.251 -20.283 1.00 33.24 C ATOM 1130 C ARG A 69 -29.462 5.719 -21.312 1.00 2.25 C ATOM 1131 O ARG A 69 -29.774 4.809 -22.081 1.00 11.44 O ATOM 1132 CB ARG A 69 -31.130 7.516 -20.816 1.00 2.35 C ATOM 1133 CG ARG A 69 -31.935 7.289 -22.084 1.00 73.13 C ATOM 1134 CD ARG A 69 -33.085 6.322 -21.848 1.00 52.34 C ATOM 1135 NE ARG A 69 -34.342 6.822 -22.400 1.00 61.52 N ATOM 1136 CZ ARG A 69 -35.464 6.112 -22.431 1.00 15.04 C ATOM 1137 NH1 ARG A 69 -35.487 4.879 -21.943 1.00 0.31 N ATOM 1138 NH2 ARG A 69 -36.568 6.636 -22.949 1.00 61.31 N ATOM 0 H ARG A 69 -29.915 7.480 -18.672 1.00 62.31 H new ATOM 0 HA ARG A 69 -31.214 5.488 -20.109 1.00 33.24 H new ATOM 0 HB2 ARG A 69 -31.788 7.919 -20.046 1.00 2.35 H new ATOM 0 HB3 ARG A 69 -30.367 8.270 -21.010 1.00 2.35 H new ATOM 0 HG2 ARG A 69 -32.326 8.241 -22.443 1.00 73.13 H new ATOM 0 HG3 ARG A 69 -31.283 6.897 -22.865 1.00 73.13 H new ATOM 0 HD2 ARG A 69 -32.848 5.359 -22.300 1.00 52.34 H new ATOM 0 HD3 ARG A 69 -33.201 6.151 -20.778 1.00 52.34 H new ATOM 0 HE ARG A 69 -34.359 7.768 -22.782 1.00 61.52 H new ATOM 0 HH11 ARG A 69 -34.641 4.473 -21.542 1.00 0.31 H new ATOM 0 HH12 ARG A 69 -36.350 4.336 -21.968 1.00 0.31 H new ATOM 0 HH21 ARG A 69 -36.555 7.585 -23.324 1.00 61.31 H new ATOM 0 HH22 ARG A 69 -37.429 6.090 -22.972 1.00 61.31 H new ATOM 1152 N THR A 70 -28.263 6.294 -21.321 1.00 22.43 N ATOM 1153 CA THR A 70 -27.224 5.879 -22.255 1.00 52.55 C ATOM 1154 C THR A 70 -26.171 5.022 -21.563 1.00 35.41 C ATOM 1155 O THR A 70 -25.152 4.674 -22.158 1.00 50.23 O ATOM 1156 CB THR A 70 -26.534 7.095 -22.903 1.00 74.14 C ATOM 1157 OG1 THR A 70 -26.604 8.224 -22.025 1.00 32.40 O ATOM 1158 CG2 THR A 70 -27.185 7.441 -24.234 1.00 72.42 C ATOM 0 H THR A 70 -27.988 7.048 -20.692 1.00 22.43 H new ATOM 0 HA THR A 70 -27.714 5.291 -23.031 1.00 52.55 H new ATOM 0 HB THR A 70 -25.490 6.839 -23.082 1.00 74.14 H new ATOM 0 HG1 THR A 70 -25.747 8.699 -22.034 1.00 32.40 H new ATOM 0 HG21 THR A 70 -26.681 8.302 -24.672 1.00 72.42 H new ATOM 0 HG22 THR A 70 -27.104 6.590 -24.911 1.00 72.42 H new ATOM 0 HG23 THR A 70 -28.237 7.679 -24.074 1.00 72.42 H new ATOM 1166 N GLN A 71 -26.426 4.683 -20.303 1.00 41.11 N ATOM 1167 CA GLN A 71 -25.499 3.865 -19.530 1.00 43.13 C ATOM 1168 C GLN A 71 -24.116 4.506 -19.484 1.00 45.12 C ATOM 1169 O GLN A 71 -23.108 3.849 -19.745 1.00 33.21 O ATOM 1170 CB GLN A 71 -25.403 2.461 -20.129 1.00 73.21 C ATOM 1171 CG GLN A 71 -26.689 1.659 -20.007 1.00 22.43 C ATOM 1172 CD GLN A 71 -26.745 0.495 -20.977 1.00 54.20 C ATOM 1173 OE1 GLN A 71 -26.967 0.680 -22.174 1.00 44.51 O ATOM 1174 NE2 GLN A 71 -26.545 -0.713 -20.465 1.00 30.41 N ATOM 0 H GLN A 71 -27.266 4.962 -19.796 1.00 41.11 H new ATOM 0 HA GLN A 71 -25.880 3.793 -18.511 1.00 43.13 H new ATOM 0 HB2 GLN A 71 -25.133 2.542 -21.182 1.00 73.21 H new ATOM 0 HB3 GLN A 71 -24.598 1.918 -19.634 1.00 73.21 H new ATOM 0 HG2 GLN A 71 -26.783 1.283 -18.988 1.00 22.43 H new ATOM 0 HG3 GLN A 71 -27.541 2.316 -20.184 1.00 22.43 H new ATOM 0 HE21 GLN A 71 -26.364 -0.820 -19.467 1.00 30.41 H new ATOM 0 HE22 GLN A 71 -26.572 -1.534 -21.070 1.00 30.41 H new ATOM 1183 N GLN A 72 -24.076 5.792 -19.151 1.00 44.25 N ATOM 1184 CA GLN A 72 -22.815 6.522 -19.073 1.00 34.43 C ATOM 1185 C GLN A 72 -22.281 6.533 -17.644 1.00 74.12 C ATOM 1186 O GLN A 72 -21.180 7.020 -17.387 1.00 33.51 O ATOM 1187 CB GLN A 72 -23.000 7.956 -19.572 1.00 63.53 C ATOM 1188 CG GLN A 72 -22.734 8.120 -21.060 1.00 1.40 C ATOM 1189 CD GLN A 72 -23.185 9.468 -21.588 1.00 11.14 C ATOM 1190 OE1 GLN A 72 -24.382 9.746 -21.670 1.00 43.34 O ATOM 1191 NE2 GLN A 72 -22.227 10.314 -21.948 1.00 21.11 N ATOM 0 H GLN A 72 -24.901 6.350 -18.931 1.00 44.25 H new ATOM 0 HA GLN A 72 -22.090 6.014 -19.709 1.00 34.43 H new ATOM 0 HB2 GLN A 72 -24.018 8.279 -19.355 1.00 63.53 H new ATOM 0 HB3 GLN A 72 -22.332 8.614 -19.017 1.00 63.53 H new ATOM 0 HG2 GLN A 72 -21.668 7.998 -21.250 1.00 1.40 H new ATOM 0 HG3 GLN A 72 -23.248 7.329 -21.607 1.00 1.40 H new ATOM 0 HE21 GLN A 72 -21.248 10.042 -21.863 1.00 21.11 H new ATOM 0 HE22 GLN A 72 -22.470 11.236 -22.309 1.00 21.11 H new ATOM 1200 N TRP A 73 -23.068 5.995 -16.720 1.00 33.43 N ATOM 1201 CA TRP A 73 -22.674 5.943 -15.316 1.00 52.44 C ATOM 1202 C TRP A 73 -21.289 5.326 -15.162 1.00 44.13 C ATOM 1203 O TRP A 73 -20.476 5.793 -14.364 1.00 34.34 O ATOM 1204 CB TRP A 73 -23.696 5.143 -14.507 1.00 63.54 C ATOM 1205 CG TRP A 73 -24.010 3.805 -15.106 1.00 34.01 C ATOM 1206 CD1 TRP A 73 -25.001 3.521 -16.002 1.00 61.30 C ATOM 1207 CD2 TRP A 73 -23.332 2.570 -14.849 1.00 53.42 C ATOM 1208 NE1 TRP A 73 -24.979 2.184 -16.318 1.00 34.40 N ATOM 1209 CE2 TRP A 73 -23.965 1.579 -15.625 1.00 24.23 C ATOM 1210 CE3 TRP A 73 -22.252 2.206 -14.042 1.00 5.33 C ATOM 1211 CZ2 TRP A 73 -23.551 0.249 -15.614 1.00 11.45 C ATOM 1212 CZ3 TRP A 73 -21.843 0.886 -14.031 1.00 44.45 C ATOM 1213 CH2 TRP A 73 -22.490 -0.079 -14.814 1.00 15.04 C ATOM 0 H TRP A 73 -23.983 5.589 -16.917 1.00 33.43 H new ATOM 0 HA TRP A 73 -22.640 6.964 -14.936 1.00 52.44 H new ATOM 0 HB2 TRP A 73 -23.317 5.000 -13.495 1.00 63.54 H new ATOM 0 HB3 TRP A 73 -24.616 5.721 -14.424 1.00 63.54 H new ATOM 0 HD1 TRP A 73 -25.699 4.241 -16.403 1.00 61.30 H new ATOM 0 HE1 TRP A 73 -25.615 1.718 -16.964 1.00 34.40 H new ATOM 0 HE3 TRP A 73 -21.745 2.943 -13.437 1.00 5.33 H new ATOM 0 HZ2 TRP A 73 -24.050 -0.497 -16.215 1.00 11.45 H new ATOM 0 HZ3 TRP A 73 -21.011 0.593 -13.408 1.00 44.45 H new ATOM 0 HH2 TRP A 73 -22.145 -1.102 -14.786 1.00 15.04 H new ATOM 1224 N SER A 74 -21.025 4.275 -15.932 1.00 22.12 N ATOM 1225 CA SER A 74 -19.738 3.592 -15.878 1.00 23.34 C ATOM 1226 C SER A 74 -18.617 4.504 -16.368 1.00 74.33 C ATOM 1227 O SER A 74 -17.503 4.471 -15.847 1.00 40.33 O ATOM 1228 CB SER A 74 -19.778 2.316 -16.720 1.00 61.55 C ATOM 1229 OG SER A 74 -20.448 2.537 -17.949 1.00 60.03 O ATOM 0 H SER A 74 -21.685 3.878 -16.600 1.00 22.12 H new ATOM 0 HA SER A 74 -19.539 3.327 -14.840 1.00 23.34 H new ATOM 0 HB2 SER A 74 -18.762 1.972 -16.913 1.00 61.55 H new ATOM 0 HB3 SER A 74 -20.282 1.525 -16.164 1.00 61.55 H new ATOM 0 HG SER A 74 -20.459 1.707 -18.470 1.00 60.03 H new ATOM 1235 N MET A 75 -18.923 5.317 -17.374 1.00 64.54 N ATOM 1236 CA MET A 75 -17.942 6.239 -17.936 1.00 33.15 C ATOM 1237 C MET A 75 -17.635 7.367 -16.956 1.00 41.43 C ATOM 1238 O MET A 75 -16.472 7.687 -16.707 1.00 54.12 O ATOM 1239 CB MET A 75 -18.453 6.819 -19.256 1.00 33.21 C ATOM 1240 CG MET A 75 -17.449 6.719 -20.392 1.00 42.34 C ATOM 1241 SD MET A 75 -17.641 5.209 -21.359 1.00 25.15 S ATOM 1242 CE MET A 75 -17.828 5.883 -23.007 1.00 41.23 C ATOM 0 H MET A 75 -19.841 5.356 -17.816 1.00 64.54 H new ATOM 0 HA MET A 75 -17.023 5.684 -18.124 1.00 33.15 H new ATOM 0 HB2 MET A 75 -19.367 6.298 -19.543 1.00 33.21 H new ATOM 0 HB3 MET A 75 -18.716 7.866 -19.106 1.00 33.21 H new ATOM 0 HG2 MET A 75 -17.561 7.582 -21.048 1.00 42.34 H new ATOM 0 HG3 MET A 75 -16.439 6.758 -19.984 1.00 42.34 H new ATOM 0 HE1 MET A 75 -17.957 5.069 -23.721 1.00 41.23 H new ATOM 0 HE2 MET A 75 -18.702 6.534 -23.037 1.00 41.23 H new ATOM 0 HE3 MET A 75 -16.939 6.457 -23.268 1.00 41.23 H new ATOM 1252 N VAL A 76 -18.684 7.968 -16.404 1.00 32.23 N ATOM 1253 CA VAL A 76 -18.526 9.060 -15.451 1.00 40.21 C ATOM 1254 C VAL A 76 -17.926 8.564 -14.140 1.00 60.24 C ATOM 1255 O VAL A 76 -16.932 9.105 -13.657 1.00 32.23 O ATOM 1256 CB VAL A 76 -19.872 9.749 -15.158 1.00 52.03 C ATOM 1257 CG1 VAL A 76 -19.665 10.975 -14.282 1.00 54.11 C ATOM 1258 CG2 VAL A 76 -20.572 10.123 -16.456 1.00 71.11 C ATOM 0 H VAL A 76 -19.653 7.717 -16.601 1.00 32.23 H new ATOM 0 HA VAL A 76 -17.848 9.782 -15.907 1.00 40.21 H new ATOM 0 HB VAL A 76 -20.509 9.049 -14.617 1.00 52.03 H new ATOM 0 HG11 VAL A 76 -20.627 11.449 -14.086 1.00 54.11 H new ATOM 0 HG12 VAL A 76 -19.209 10.675 -13.339 1.00 54.11 H new ATOM 0 HG13 VAL A 76 -19.011 11.681 -14.793 1.00 54.11 H new ATOM 0 HG21 VAL A 76 -21.521 10.609 -16.231 1.00 71.11 H new ATOM 0 HG22 VAL A 76 -19.941 10.806 -17.026 1.00 71.11 H new ATOM 0 HG23 VAL A 76 -20.755 9.223 -17.043 1.00 71.11 H new ATOM 1268 N ALA A 77 -18.537 7.530 -13.571 1.00 25.04 N ATOM 1269 CA ALA A 77 -18.061 6.958 -12.317 1.00 12.32 C ATOM 1270 C ALA A 77 -16.600 6.536 -12.425 1.00 41.21 C ATOM 1271 O ALA A 77 -15.832 6.678 -11.474 1.00 10.11 O ATOM 1272 CB ALA A 77 -18.927 5.773 -11.916 1.00 23.04 C ATOM 0 H ALA A 77 -19.362 7.072 -13.958 1.00 25.04 H new ATOM 0 HA ALA A 77 -18.133 7.725 -11.546 1.00 12.32 H new ATOM 0 HB1 ALA A 77 -18.561 5.355 -10.978 1.00 23.04 H new ATOM 0 HB2 ALA A 77 -19.958 6.103 -11.788 1.00 23.04 H new ATOM 0 HB3 ALA A 77 -18.884 5.011 -12.694 1.00 23.04 H new ATOM 1278 N GLN A 78 -16.223 6.017 -13.589 1.00 75.31 N ATOM 1279 CA GLN A 78 -14.854 5.573 -13.820 1.00 21.33 C ATOM 1280 C GLN A 78 -13.873 6.730 -13.662 1.00 62.32 C ATOM 1281 O GLN A 78 -12.740 6.540 -13.219 1.00 62.35 O ATOM 1282 CB GLN A 78 -14.721 4.963 -15.216 1.00 74.32 C ATOM 1283 CG GLN A 78 -13.286 4.657 -15.613 1.00 32.32 C ATOM 1284 CD GLN A 78 -12.626 5.806 -16.348 1.00 53.35 C ATOM 1285 OE1 GLN A 78 -13.224 6.868 -16.529 1.00 60.42 O ATOM 1286 NE2 GLN A 78 -11.387 5.601 -16.778 1.00 5.04 N ATOM 0 H GLN A 78 -16.847 5.894 -14.387 1.00 75.31 H new ATOM 0 HA GLN A 78 -14.615 4.813 -13.076 1.00 21.33 H new ATOM 0 HB2 GLN A 78 -15.305 4.043 -15.259 1.00 74.32 H new ATOM 0 HB3 GLN A 78 -15.153 5.648 -15.945 1.00 74.32 H new ATOM 0 HG2 GLN A 78 -12.708 4.423 -14.719 1.00 32.32 H new ATOM 0 HG3 GLN A 78 -13.269 3.769 -16.245 1.00 32.32 H new ATOM 0 HE21 GLN A 78 -10.929 4.706 -16.606 1.00 5.04 H new ATOM 0 HE22 GLN A 78 -10.893 6.339 -17.280 1.00 5.04 H new ATOM 1295 N ARG A 79 -14.315 7.928 -14.028 1.00 14.33 N ATOM 1296 CA ARG A 79 -13.476 9.116 -13.928 1.00 65.14 C ATOM 1297 C ARG A 79 -13.021 9.341 -12.489 1.00 50.53 C ATOM 1298 O ARG A 79 -11.862 9.676 -12.238 1.00 33.51 O ATOM 1299 CB ARG A 79 -14.232 10.345 -14.434 1.00 52.52 C ATOM 1300 CG ARG A 79 -13.483 11.124 -15.503 1.00 52.31 C ATOM 1301 CD ARG A 79 -12.791 12.346 -14.920 1.00 11.41 C ATOM 1302 NE ARG A 79 -11.484 12.578 -15.529 1.00 52.01 N ATOM 1303 CZ ARG A 79 -11.320 13.030 -16.767 1.00 72.45 C ATOM 1304 NH1 ARG A 79 -12.376 13.297 -17.524 1.00 45.13 N ATOM 1305 NH2 ARG A 79 -10.099 13.215 -17.251 1.00 45.01 N ATOM 0 H ARG A 79 -15.250 8.102 -14.397 1.00 14.33 H new ATOM 0 HA ARG A 79 -12.594 8.960 -14.549 1.00 65.14 H new ATOM 0 HB2 ARG A 79 -15.195 10.029 -14.835 1.00 52.52 H new ATOM 0 HB3 ARG A 79 -14.438 11.006 -13.592 1.00 52.52 H new ATOM 0 HG2 ARG A 79 -12.744 10.477 -15.976 1.00 52.31 H new ATOM 0 HG3 ARG A 79 -14.179 11.436 -16.282 1.00 52.31 H new ATOM 0 HD2 ARG A 79 -13.420 13.224 -15.067 1.00 11.41 H new ATOM 0 HD3 ARG A 79 -12.672 12.216 -13.844 1.00 11.41 H new ATOM 0 HE ARG A 79 -10.652 12.382 -14.973 1.00 52.01 H new ATOM 0 HH11 ARG A 79 -13.317 13.155 -17.156 1.00 45.13 H new ATOM 0 HH12 ARG A 79 -12.247 13.644 -18.474 1.00 45.13 H new ATOM 0 HH21 ARG A 79 -9.285 13.010 -16.672 1.00 45.01 H new ATOM 0 HH22 ARG A 79 -9.975 13.562 -18.202 1.00 45.01 H new ATOM 1319 N LEU A 80 -13.940 9.157 -11.548 1.00 55.54 N ATOM 1320 CA LEU A 80 -13.635 9.341 -10.134 1.00 0.22 C ATOM 1321 C LEU A 80 -13.332 8.005 -9.464 1.00 64.21 C ATOM 1322 O LEU A 80 -13.124 7.940 -8.253 1.00 0.32 O ATOM 1323 CB LEU A 80 -14.804 10.026 -9.424 1.00 51.51 C ATOM 1324 CG LEU A 80 -14.519 11.413 -8.846 1.00 42.12 C ATOM 1325 CD1 LEU A 80 -13.460 11.330 -7.758 1.00 11.34 C ATOM 1326 CD2 LEU A 80 -14.082 12.370 -9.946 1.00 62.31 C ATOM 0 H LEU A 80 -14.903 8.880 -11.739 1.00 55.54 H new ATOM 0 HA LEU A 80 -12.751 9.974 -10.058 1.00 0.22 H new ATOM 0 HB2 LEU A 80 -15.631 10.111 -10.129 1.00 51.51 H new ATOM 0 HB3 LEU A 80 -15.140 9.379 -8.614 1.00 51.51 H new ATOM 0 HG LEU A 80 -15.438 11.796 -8.402 1.00 42.12 H new ATOM 0 HD11 LEU A 80 -13.270 12.326 -7.358 1.00 11.34 H new ATOM 0 HD12 LEU A 80 -13.811 10.679 -6.958 1.00 11.34 H new ATOM 0 HD13 LEU A 80 -12.539 10.926 -8.177 1.00 11.34 H new ATOM 0 HD21 LEU A 80 -13.884 13.352 -9.516 1.00 62.31 H new ATOM 0 HD22 LEU A 80 -13.176 11.991 -10.419 1.00 62.31 H new ATOM 0 HD23 LEU A 80 -14.873 12.453 -10.691 1.00 62.31 H new ATOM 1338 N GLN A 81 -13.306 6.942 -10.261 1.00 61.44 N ATOM 1339 CA GLN A 81 -13.026 5.607 -9.745 1.00 70.02 C ATOM 1340 C GLN A 81 -14.141 5.138 -8.816 1.00 4.13 C ATOM 1341 O GLN A 81 -13.917 4.313 -7.930 1.00 23.15 O ATOM 1342 CB GLN A 81 -11.688 5.594 -9.004 1.00 12.13 C ATOM 1343 CG GLN A 81 -11.124 4.199 -8.791 1.00 62.32 C ATOM 1344 CD GLN A 81 -10.572 3.999 -7.393 1.00 73.23 C ATOM 1345 OE1 GLN A 81 -9.415 3.616 -7.219 1.00 31.12 O ATOM 1346 NE2 GLN A 81 -11.400 4.258 -6.388 1.00 22.15 N ATOM 0 H GLN A 81 -13.475 6.979 -11.266 1.00 61.44 H new ATOM 0 HA GLN A 81 -12.971 4.922 -10.591 1.00 70.02 H new ATOM 0 HB2 GLN A 81 -10.966 6.187 -9.565 1.00 12.13 H new ATOM 0 HB3 GLN A 81 -11.814 6.078 -8.035 1.00 12.13 H new ATOM 0 HG2 GLN A 81 -11.906 3.463 -8.977 1.00 62.32 H new ATOM 0 HG3 GLN A 81 -10.334 4.016 -9.519 1.00 62.32 H new ATOM 0 HE21 GLN A 81 -12.351 4.573 -6.579 1.00 22.15 H new ATOM 0 HE22 GLN A 81 -11.085 4.142 -5.425 1.00 22.15 H new ATOM 1355 N ILE A 82 -15.340 5.669 -9.024 1.00 15.52 N ATOM 1356 CA ILE A 82 -16.490 5.304 -8.205 1.00 4.43 C ATOM 1357 C ILE A 82 -16.985 3.903 -8.546 1.00 53.34 C ATOM 1358 O ILE A 82 -17.239 3.090 -7.658 1.00 64.43 O ATOM 1359 CB ILE A 82 -17.648 6.304 -8.382 1.00 63.01 C ATOM 1360 CG1 ILE A 82 -17.197 7.714 -7.996 1.00 2.13 C ATOM 1361 CG2 ILE A 82 -18.847 5.878 -7.548 1.00 50.44 C ATOM 1362 CD1 ILE A 82 -17.712 8.789 -8.927 1.00 4.42 C ATOM 0 H ILE A 82 -15.541 6.354 -9.753 1.00 15.52 H new ATOM 0 HA ILE A 82 -16.158 5.326 -7.167 1.00 4.43 H new ATOM 0 HB ILE A 82 -17.944 6.313 -9.431 1.00 63.01 H new ATOM 0 HG12 ILE A 82 -17.535 7.930 -6.982 1.00 2.13 H new ATOM 0 HG13 ILE A 82 -16.108 7.747 -7.983 1.00 2.13 H new ATOM 0 HG21 ILE A 82 -19.657 6.594 -7.683 1.00 50.44 H new ATOM 0 HG22 ILE A 82 -19.179 4.890 -7.867 1.00 50.44 H new ATOM 0 HG23 ILE A 82 -18.565 5.844 -6.496 1.00 50.44 H new ATOM 0 HD11 ILE A 82 -17.353 9.762 -8.593 1.00 4.42 H new ATOM 0 HD12 ILE A 82 -17.353 8.597 -9.938 1.00 4.42 H new ATOM 0 HD13 ILE A 82 -18.802 8.783 -8.922 1.00 4.42 H new ATOM 1374 N SER A 83 -17.120 3.628 -9.840 1.00 1.31 N ATOM 1375 CA SER A 83 -17.587 2.326 -10.300 1.00 32.33 C ATOM 1376 C SER A 83 -16.492 1.597 -11.072 1.00 44.34 C ATOM 1377 O SER A 83 -16.466 1.619 -12.303 1.00 65.20 O ATOM 1378 CB SER A 83 -18.827 2.487 -11.181 1.00 53.20 C ATOM 1379 OG SER A 83 -19.774 3.351 -10.576 1.00 30.32 O ATOM 0 H SER A 83 -16.912 4.290 -10.588 1.00 1.31 H new ATOM 0 HA SER A 83 -17.847 1.731 -9.424 1.00 32.33 H new ATOM 0 HB2 SER A 83 -18.537 2.884 -12.154 1.00 53.20 H new ATOM 0 HB3 SER A 83 -19.281 1.512 -11.358 1.00 53.20 H new ATOM 0 HG SER A 83 -20.677 3.000 -10.722 1.00 30.32 H new ATOM 1385 N ASP A 84 -15.589 0.953 -10.341 1.00 0.42 N ATOM 1386 CA ASP A 84 -14.491 0.217 -10.956 1.00 22.13 C ATOM 1387 C ASP A 84 -14.769 -1.283 -10.945 1.00 21.04 C ATOM 1388 O ASP A 84 -14.006 -2.062 -10.372 1.00 13.21 O ATOM 1389 CB ASP A 84 -13.179 0.510 -10.225 1.00 54.43 C ATOM 1390 CG ASP A 84 -12.405 1.649 -10.861 1.00 31.54 C ATOM 1391 OD1 ASP A 84 -13.044 2.541 -11.458 1.00 23.35 O ATOM 1392 OD2 ASP A 84 -11.161 1.648 -10.760 1.00 65.52 O ATOM 0 H ASP A 84 -15.596 0.926 -9.321 1.00 0.42 H new ATOM 0 HA ASP A 84 -14.402 0.545 -11.992 1.00 22.13 H new ATOM 0 HB2 ASP A 84 -13.393 0.756 -9.185 1.00 54.43 H new ATOM 0 HB3 ASP A 84 -12.561 -0.388 -10.220 1.00 54.43 H new ATOM 1397 N TYR A 85 -15.866 -1.681 -11.580 1.00 4.33 N ATOM 1398 CA TYR A 85 -16.247 -3.087 -11.640 1.00 5.10 C ATOM 1399 C TYR A 85 -16.737 -3.577 -10.281 1.00 72.11 C ATOM 1400 O TYR A 85 -17.372 -2.833 -9.534 1.00 23.33 O ATOM 1401 CB TYR A 85 -15.064 -3.938 -12.105 1.00 4.12 C ATOM 1402 CG TYR A 85 -15.464 -5.104 -12.980 1.00 24.21 C ATOM 1403 CD1 TYR A 85 -16.306 -4.923 -14.070 1.00 63.13 C ATOM 1404 CD2 TYR A 85 -15.001 -6.387 -12.716 1.00 65.31 C ATOM 1405 CE1 TYR A 85 -16.675 -5.986 -14.872 1.00 45.23 C ATOM 1406 CE2 TYR A 85 -15.363 -7.455 -13.513 1.00 61.55 C ATOM 1407 CZ TYR A 85 -16.200 -7.250 -14.590 1.00 51.21 C ATOM 1408 OH TYR A 85 -16.565 -8.312 -15.386 1.00 44.40 O ATOM 0 H TYR A 85 -16.507 -1.050 -12.060 1.00 4.33 H new ATOM 0 HA TYR A 85 -17.062 -3.186 -12.357 1.00 5.10 H new ATOM 0 HB2 TYR A 85 -14.366 -3.306 -12.653 1.00 4.12 H new ATOM 0 HB3 TYR A 85 -14.533 -4.316 -11.231 1.00 4.12 H new ATOM 0 HD1 TYR A 85 -16.679 -3.934 -14.294 1.00 63.13 H new ATOM 0 HD2 TYR A 85 -14.347 -6.552 -11.873 1.00 65.31 H new ATOM 0 HE1 TYR A 85 -17.332 -5.828 -15.715 1.00 45.23 H new ATOM 0 HE2 TYR A 85 -14.993 -8.446 -13.294 1.00 61.55 H new ATOM 0 HH TYR A 85 -16.144 -9.131 -15.052 1.00 44.40 H new ATOM 1418 N GLN A 86 -16.437 -4.834 -9.969 1.00 54.22 N ATOM 1419 CA GLN A 86 -16.848 -5.424 -8.701 1.00 23.23 C ATOM 1420 C GLN A 86 -16.465 -4.522 -7.532 1.00 35.44 C ATOM 1421 O GLN A 86 -17.168 -4.468 -6.523 1.00 21.44 O ATOM 1422 CB GLN A 86 -16.210 -6.803 -8.526 1.00 22.51 C ATOM 1423 CG GLN A 86 -14.703 -6.806 -8.725 1.00 23.51 C ATOM 1424 CD GLN A 86 -14.091 -8.180 -8.531 1.00 12.01 C ATOM 1425 OE1 GLN A 86 -14.576 -8.981 -7.730 1.00 44.55 O ATOM 1426 NE2 GLN A 86 -13.021 -8.461 -9.265 1.00 5.44 N ATOM 0 H GLN A 86 -15.911 -5.463 -10.576 1.00 54.22 H new ATOM 0 HA GLN A 86 -17.933 -5.532 -8.713 1.00 23.23 H new ATOM 0 HB2 GLN A 86 -16.437 -7.175 -7.527 1.00 22.51 H new ATOM 0 HB3 GLN A 86 -16.663 -7.496 -9.235 1.00 22.51 H new ATOM 0 HG2 GLN A 86 -14.472 -6.448 -9.728 1.00 23.51 H new ATOM 0 HG3 GLN A 86 -14.246 -6.107 -8.024 1.00 23.51 H new ATOM 0 HE21 GLN A 86 -12.653 -7.768 -9.916 1.00 5.44 H new ATOM 0 HE22 GLN A 86 -12.567 -9.370 -9.178 1.00 5.44 H new ATOM 1435 N GLN A 87 -15.348 -3.817 -7.675 1.00 53.15 N ATOM 1436 CA GLN A 87 -14.873 -2.918 -6.630 1.00 61.42 C ATOM 1437 C GLN A 87 -15.942 -1.893 -6.266 1.00 21.54 C ATOM 1438 O GLN A 87 -15.950 -1.357 -5.157 1.00 41.40 O ATOM 1439 CB GLN A 87 -13.598 -2.204 -7.083 1.00 72.20 C ATOM 1440 CG GLN A 87 -12.381 -3.113 -7.146 1.00 74.24 C ATOM 1441 CD GLN A 87 -11.076 -2.344 -7.115 1.00 3.53 C ATOM 1442 OE1 GLN A 87 -11.023 -1.173 -7.492 1.00 44.42 O ATOM 1443 NE2 GLN A 87 -10.013 -2.999 -6.663 1.00 2.34 N ATOM 0 H GLN A 87 -14.755 -3.851 -8.504 1.00 53.15 H new ATOM 0 HA GLN A 87 -14.652 -3.515 -5.745 1.00 61.42 H new ATOM 0 HB2 GLN A 87 -13.766 -1.767 -8.067 1.00 72.20 H new ATOM 0 HB3 GLN A 87 -13.391 -1.380 -6.400 1.00 72.20 H new ATOM 0 HG2 GLN A 87 -12.408 -3.809 -6.307 1.00 74.24 H new ATOM 0 HG3 GLN A 87 -12.425 -3.710 -8.057 1.00 74.24 H new ATOM 0 HE21 GLN A 87 -10.102 -3.969 -6.361 1.00 2.34 H new ATOM 0 HE22 GLN A 87 -9.107 -2.532 -6.618 1.00 2.34 H new ATOM 1452 N LEU A 88 -16.842 -1.626 -7.205 1.00 14.12 N ATOM 1453 CA LEU A 88 -17.917 -0.664 -6.983 1.00 21.52 C ATOM 1454 C LEU A 88 -18.686 -0.993 -5.707 1.00 55.24 C ATOM 1455 O LEU A 88 -19.280 -0.112 -5.086 1.00 24.14 O ATOM 1456 CB LEU A 88 -18.871 -0.651 -8.178 1.00 41.15 C ATOM 1457 CG LEU A 88 -20.233 0.003 -7.943 1.00 41.11 C ATOM 1458 CD1 LEU A 88 -20.730 0.674 -9.214 1.00 61.44 C ATOM 1459 CD2 LEU A 88 -21.241 -1.026 -7.451 1.00 43.35 C ATOM 0 H LEU A 88 -16.850 -2.061 -8.127 1.00 14.12 H new ATOM 0 HA LEU A 88 -17.471 0.324 -6.872 1.00 21.52 H new ATOM 0 HB2 LEU A 88 -18.380 -0.135 -9.003 1.00 41.15 H new ATOM 0 HB3 LEU A 88 -19.035 -1.680 -8.498 1.00 41.15 H new ATOM 0 HG LEU A 88 -20.120 0.767 -7.174 1.00 41.11 H new ATOM 0 HD11 LEU A 88 -21.700 1.134 -9.027 1.00 61.44 H new ATOM 0 HD12 LEU A 88 -20.019 1.440 -9.523 1.00 61.44 H new ATOM 0 HD13 LEU A 88 -20.827 -0.070 -10.004 1.00 61.44 H new ATOM 0 HD21 LEU A 88 -22.205 -0.543 -7.289 1.00 43.35 H new ATOM 0 HD22 LEU A 88 -21.351 -1.813 -8.197 1.00 43.35 H new ATOM 0 HD23 LEU A 88 -20.891 -1.460 -6.514 1.00 43.35 H new ATOM 1471 N GLU A 89 -18.670 -2.265 -5.323 1.00 61.43 N ATOM 1472 CA GLU A 89 -19.365 -2.709 -4.121 1.00 15.32 C ATOM 1473 C GLU A 89 -18.709 -2.134 -2.869 1.00 45.11 C ATOM 1474 O GLU A 89 -19.386 -1.615 -1.982 1.00 31.21 O ATOM 1475 CB GLU A 89 -19.379 -4.237 -4.047 1.00 12.11 C ATOM 1476 CG GLU A 89 -20.755 -4.821 -3.774 1.00 53.22 C ATOM 1477 CD GLU A 89 -20.734 -6.332 -3.652 1.00 20.04 C ATOM 1478 OE1 GLU A 89 -19.657 -6.929 -3.856 1.00 23.31 O ATOM 1479 OE2 GLU A 89 -21.796 -6.917 -3.351 1.00 24.23 O ATOM 0 H GLU A 89 -18.183 -3.006 -5.827 1.00 61.43 H new ATOM 0 HA GLU A 89 -20.392 -2.346 -4.172 1.00 15.32 H new ATOM 0 HB2 GLU A 89 -19.002 -4.641 -4.986 1.00 12.11 H new ATOM 0 HB3 GLU A 89 -18.694 -4.561 -3.263 1.00 12.11 H new ATOM 0 HG2 GLU A 89 -21.152 -4.392 -2.854 1.00 53.22 H new ATOM 0 HG3 GLU A 89 -21.433 -4.535 -4.578 1.00 53.22 H new ATOM 1486 N SER A 90 -17.384 -2.231 -2.805 1.00 54.03 N ATOM 1487 CA SER A 90 -16.635 -1.725 -1.661 1.00 72.20 C ATOM 1488 C SER A 90 -16.704 -0.202 -1.597 1.00 64.41 C ATOM 1489 O SER A 90 -16.841 0.379 -0.520 1.00 65.22 O ATOM 1490 CB SER A 90 -15.176 -2.179 -1.739 1.00 51.42 C ATOM 1491 OG SER A 90 -14.893 -2.771 -2.995 1.00 22.22 O ATOM 0 H SER A 90 -16.808 -2.655 -3.532 1.00 54.03 H new ATOM 0 HA SER A 90 -17.086 -2.130 -0.755 1.00 72.20 H new ATOM 0 HB2 SER A 90 -14.517 -1.326 -1.579 1.00 51.42 H new ATOM 0 HB3 SER A 90 -14.971 -2.894 -0.942 1.00 51.42 H new ATOM 0 HG SER A 90 -15.149 -2.154 -3.712 1.00 22.22 H new ATOM 1497 N ILE A 91 -16.607 0.437 -2.758 1.00 12.12 N ATOM 1498 CA ILE A 91 -16.659 1.892 -2.835 1.00 31.34 C ATOM 1499 C ILE A 91 -18.035 2.415 -2.435 1.00 62.44 C ATOM 1500 O ILE A 91 -18.148 3.405 -1.712 1.00 74.25 O ATOM 1501 CB ILE A 91 -16.323 2.393 -4.252 1.00 12.04 C ATOM 1502 CG1 ILE A 91 -14.927 1.923 -4.665 1.00 30.12 C ATOM 1503 CG2 ILE A 91 -16.417 3.910 -4.313 1.00 1.33 C ATOM 1504 CD1 ILE A 91 -14.849 1.448 -6.099 1.00 12.21 C ATOM 0 H ILE A 91 -16.492 -0.029 -3.658 1.00 12.12 H new ATOM 0 HA ILE A 91 -15.912 2.272 -2.138 1.00 31.34 H new ATOM 0 HB ILE A 91 -17.048 1.975 -4.951 1.00 12.04 H new ATOM 0 HG12 ILE A 91 -14.220 2.741 -4.523 1.00 30.12 H new ATOM 0 HG13 ILE A 91 -14.615 1.113 -4.005 1.00 30.12 H new ATOM 0 HG21 ILE A 91 -16.177 4.249 -5.321 1.00 1.33 H new ATOM 0 HG22 ILE A 91 -17.429 4.222 -4.057 1.00 1.33 H new ATOM 0 HG23 ILE A 91 -15.712 4.347 -3.605 1.00 1.33 H new ATOM 0 HD11 ILE A 91 -13.831 1.130 -6.322 1.00 12.21 H new ATOM 0 HD12 ILE A 91 -15.531 0.609 -6.242 1.00 12.21 H new ATOM 0 HD13 ILE A 91 -15.130 2.262 -6.768 1.00 12.21 H new ATOM 1516 N TYR A 92 -19.078 1.742 -2.909 1.00 65.14 N ATOM 1517 CA TYR A 92 -20.447 2.139 -2.603 1.00 24.44 C ATOM 1518 C TYR A 92 -20.752 1.942 -1.121 1.00 4.33 C ATOM 1519 O TYR A 92 -21.437 2.757 -0.503 1.00 10.24 O ATOM 1520 CB TYR A 92 -21.435 1.334 -3.449 1.00 2.31 C ATOM 1521 CG TYR A 92 -21.787 1.997 -4.762 1.00 21.33 C ATOM 1522 CD1 TYR A 92 -20.815 2.636 -5.522 1.00 54.11 C ATOM 1523 CD2 TYR A 92 -23.091 1.984 -5.241 1.00 42.32 C ATOM 1524 CE1 TYR A 92 -21.132 3.243 -6.722 1.00 14.42 C ATOM 1525 CE2 TYR A 92 -23.417 2.588 -6.440 1.00 64.44 C ATOM 1526 CZ TYR A 92 -22.434 3.216 -7.177 1.00 32.01 C ATOM 1527 OH TYR A 92 -22.755 3.819 -8.371 1.00 50.43 O ATOM 0 H TYR A 92 -19.001 0.919 -3.507 1.00 65.14 H new ATOM 0 HA TYR A 92 -20.553 3.197 -2.841 1.00 24.44 H new ATOM 0 HB2 TYR A 92 -21.011 0.350 -3.650 1.00 2.31 H new ATOM 0 HB3 TYR A 92 -22.348 1.176 -2.875 1.00 2.31 H new ATOM 0 HD1 TYR A 92 -19.795 2.659 -5.169 1.00 54.11 H new ATOM 0 HD2 TYR A 92 -23.863 1.494 -4.666 1.00 42.32 H new ATOM 0 HE1 TYR A 92 -20.365 3.736 -7.301 1.00 14.42 H new ATOM 0 HE2 TYR A 92 -24.436 2.569 -6.798 1.00 64.44 H new ATOM 0 HH TYR A 92 -23.713 3.708 -8.546 1.00 50.43 H new ATOM 1537 N PHE A 93 -20.237 0.855 -0.556 1.00 64.04 N ATOM 1538 CA PHE A 93 -20.453 0.550 0.853 1.00 30.40 C ATOM 1539 C PHE A 93 -19.780 1.589 1.744 1.00 12.44 C ATOM 1540 O PHE A 93 -20.405 2.145 2.648 1.00 24.24 O ATOM 1541 CB PHE A 93 -19.917 -0.845 1.183 1.00 42.03 C ATOM 1542 CG PHE A 93 -20.521 -1.442 2.422 1.00 62.15 C ATOM 1543 CD1 PHE A 93 -21.842 -1.861 2.431 1.00 5.05 C ATOM 1544 CD2 PHE A 93 -19.768 -1.585 3.576 1.00 62.02 C ATOM 1545 CE1 PHE A 93 -22.400 -2.410 3.570 1.00 1.03 C ATOM 1546 CE2 PHE A 93 -20.321 -2.134 4.718 1.00 43.24 C ATOM 1547 CZ PHE A 93 -21.638 -2.548 4.714 1.00 13.34 C ATOM 0 H PHE A 93 -19.667 0.171 -1.053 1.00 64.04 H new ATOM 0 HA PHE A 93 -21.526 0.574 1.043 1.00 30.40 H new ATOM 0 HB2 PHE A 93 -20.109 -1.508 0.339 1.00 42.03 H new ATOM 0 HB3 PHE A 93 -18.835 -0.790 1.306 1.00 42.03 H new ATOM 0 HD1 PHE A 93 -22.442 -1.757 1.539 1.00 5.05 H new ATOM 0 HD2 PHE A 93 -18.737 -1.264 3.584 1.00 62.02 H new ATOM 0 HE1 PHE A 93 -23.431 -2.731 3.566 1.00 1.03 H new ATOM 0 HE2 PHE A 93 -19.724 -2.239 5.612 1.00 43.24 H new ATOM 0 HZ PHE A 93 -22.072 -2.979 5.604 1.00 13.34 H new ATOM 1557 N ARG A 94 -18.503 1.847 1.483 1.00 61.32 N ATOM 1558 CA ARG A 94 -17.744 2.818 2.262 1.00 71.24 C ATOM 1559 C ARG A 94 -18.318 4.221 2.088 1.00 3.13 C ATOM 1560 O ARG A 94 -18.302 5.028 3.018 1.00 21.25 O ATOM 1561 CB ARG A 94 -16.273 2.801 1.843 1.00 42.40 C ATOM 1562 CG ARG A 94 -15.415 1.856 2.668 1.00 12.04 C ATOM 1563 CD ARG A 94 -14.902 0.695 1.831 1.00 31.22 C ATOM 1564 NE ARG A 94 -15.765 -0.479 1.936 1.00 1.22 N ATOM 1565 CZ ARG A 94 -15.371 -1.710 1.629 1.00 14.14 C ATOM 1566 NH1 ARG A 94 -14.136 -1.927 1.201 1.00 24.12 N ATOM 1567 NH2 ARG A 94 -16.215 -2.727 1.751 1.00 21.02 N ATOM 0 H ARG A 94 -17.972 1.397 0.738 1.00 61.32 H new ATOM 0 HA ARG A 94 -17.818 2.542 3.314 1.00 71.24 H new ATOM 0 HB2 ARG A 94 -16.206 2.515 0.793 1.00 42.40 H new ATOM 0 HB3 ARG A 94 -15.869 3.810 1.925 1.00 42.40 H new ATOM 0 HG2 ARG A 94 -14.571 2.403 3.089 1.00 12.04 H new ATOM 0 HG3 ARG A 94 -15.997 1.473 3.506 1.00 12.04 H new ATOM 0 HD2 ARG A 94 -14.834 1.003 0.788 1.00 31.22 H new ATOM 0 HD3 ARG A 94 -13.894 0.434 2.153 1.00 31.22 H new ATOM 0 HE ARG A 94 -16.722 -0.346 2.263 1.00 1.22 H new ATOM 0 HH11 ARG A 94 -13.485 -1.148 1.106 1.00 24.12 H new ATOM 0 HH12 ARG A 94 -13.837 -2.873 0.966 1.00 24.12 H new ATOM 0 HH21 ARG A 94 -17.166 -2.564 2.081 1.00 21.02 H new ATOM 0 HH22 ARG A 94 -15.912 -3.672 1.515 1.00 21.02 H new ATOM 1581 N ILE A 95 -18.822 4.505 0.892 1.00 35.24 N ATOM 1582 CA ILE A 95 -19.401 5.810 0.598 1.00 31.20 C ATOM 1583 C ILE A 95 -20.807 5.931 1.176 1.00 21.14 C ATOM 1584 O ILE A 95 -21.278 7.031 1.466 1.00 12.44 O ATOM 1585 CB ILE A 95 -19.458 6.071 -0.919 1.00 1.33 C ATOM 1586 CG1 ILE A 95 -18.050 6.301 -1.472 1.00 1.44 C ATOM 1587 CG2 ILE A 95 -20.352 7.266 -1.217 1.00 62.31 C ATOM 1588 CD1 ILE A 95 -17.995 6.351 -2.982 1.00 63.45 C ATOM 0 H ILE A 95 -18.841 3.849 0.111 1.00 35.24 H new ATOM 0 HA ILE A 95 -18.754 6.554 1.063 1.00 31.20 H new ATOM 0 HB ILE A 95 -19.881 5.194 -1.409 1.00 1.33 H new ATOM 0 HG12 ILE A 95 -17.659 7.236 -1.071 1.00 1.44 H new ATOM 0 HG13 ILE A 95 -17.395 5.504 -1.119 1.00 1.44 H new ATOM 0 HG21 ILE A 95 -20.382 7.438 -2.293 1.00 62.31 H new ATOM 0 HG22 ILE A 95 -21.360 7.066 -0.853 1.00 62.31 H new ATOM 0 HG23 ILE A 95 -19.955 8.151 -0.719 1.00 62.31 H new ATOM 0 HD11 ILE A 95 -16.967 6.517 -3.303 1.00 63.45 H new ATOM 0 HD12 ILE A 95 -18.355 5.407 -3.391 1.00 63.45 H new ATOM 0 HD13 ILE A 95 -18.623 7.166 -3.342 1.00 63.45 H new ATOM 1600 N LEU A 96 -21.472 4.793 1.343 1.00 2.15 N ATOM 1601 CA LEU A 96 -22.824 4.770 1.890 1.00 53.53 C ATOM 1602 C LEU A 96 -22.796 4.634 3.409 1.00 61.03 C ATOM 1603 O LEU A 96 -23.825 4.760 4.073 1.00 12.15 O ATOM 1604 CB LEU A 96 -23.624 3.619 1.278 1.00 65.34 C ATOM 1605 CG LEU A 96 -24.199 3.868 -0.117 1.00 31.21 C ATOM 1606 CD1 LEU A 96 -24.433 2.551 -0.841 1.00 30.01 C ATOM 1607 CD2 LEU A 96 -25.492 4.665 -0.026 1.00 2.43 C ATOM 0 H LEU A 96 -21.097 3.874 1.107 1.00 2.15 H new ATOM 0 HA LEU A 96 -23.307 5.714 1.638 1.00 53.53 H new ATOM 0 HB2 LEU A 96 -22.981 2.740 1.232 1.00 65.34 H new ATOM 0 HB3 LEU A 96 -24.447 3.377 1.950 1.00 65.34 H new ATOM 0 HG LEU A 96 -23.476 4.450 -0.689 1.00 31.21 H new ATOM 0 HD11 LEU A 96 -24.842 2.748 -1.832 1.00 30.01 H new ATOM 0 HD12 LEU A 96 -23.488 2.017 -0.939 1.00 30.01 H new ATOM 0 HD13 LEU A 96 -25.137 1.943 -0.272 1.00 30.01 H new ATOM 0 HD21 LEU A 96 -25.887 4.833 -1.028 1.00 2.43 H new ATOM 0 HD22 LEU A 96 -26.221 4.109 0.563 1.00 2.43 H new ATOM 0 HD23 LEU A 96 -25.295 5.625 0.452 1.00 2.43 H new ATOM 1619 N LEU A 97 -21.611 4.378 3.952 1.00 32.32 N ATOM 1620 CA LEU A 97 -21.448 4.226 5.394 1.00 44.40 C ATOM 1621 C LEU A 97 -22.216 5.309 6.146 1.00 64.23 C ATOM 1622 O LEU A 97 -22.543 6.364 5.602 1.00 65.11 O ATOM 1623 CB LEU A 97 -19.965 4.284 5.768 1.00 73.04 C ATOM 1624 CG LEU A 97 -19.185 2.977 5.620 1.00 2.42 C ATOM 1625 CD1 LEU A 97 -17.699 3.215 5.842 1.00 12.22 C ATOM 1626 CD2 LEU A 97 -19.710 1.930 6.591 1.00 70.10 C ATOM 0 H LEU A 97 -20.750 4.271 3.416 1.00 32.32 H new ATOM 0 HA LEU A 97 -21.852 3.255 5.680 1.00 44.40 H new ATOM 0 HB2 LEU A 97 -19.484 5.043 5.151 1.00 73.04 H new ATOM 0 HB3 LEU A 97 -19.884 4.617 6.803 1.00 73.04 H new ATOM 0 HG LEU A 97 -19.325 2.605 4.605 1.00 2.42 H new ATOM 0 HD11 LEU A 97 -17.160 2.274 5.733 1.00 12.22 H new ATOM 0 HD12 LEU A 97 -17.331 3.931 5.107 1.00 12.22 H new ATOM 0 HD13 LEU A 97 -17.540 3.610 6.845 1.00 12.22 H new ATOM 0 HD21 LEU A 97 -19.143 1.007 6.472 1.00 70.10 H new ATOM 0 HD22 LEU A 97 -19.600 2.294 7.613 1.00 70.10 H new ATOM 0 HD23 LEU A 97 -20.763 1.739 6.385 1.00 70.10 H new ATOM 1638 N PRO A 98 -22.510 5.044 7.427 1.00 4.34 N ATOM 1639 CA PRO A 98 -23.240 5.985 8.282 1.00 20.24 C ATOM 1640 C PRO A 98 -22.413 7.219 8.625 1.00 51.43 C ATOM 1641 O PRO A 98 -22.935 8.334 8.674 1.00 23.43 O ATOM 1642 CB PRO A 98 -23.528 5.167 9.544 1.00 4.21 C ATOM 1643 CG PRO A 98 -22.457 4.132 9.577 1.00 70.32 C ATOM 1644 CD PRO A 98 -22.151 3.807 8.141 1.00 40.02 C ATOM 0 HA PRO A 98 -24.135 6.370 7.793 1.00 20.24 H new ATOM 0 HB2 PRO A 98 -23.501 5.793 10.436 1.00 4.21 H new ATOM 0 HB3 PRO A 98 -24.518 4.712 9.503 1.00 4.21 H new ATOM 0 HG2 PRO A 98 -21.570 4.504 10.090 1.00 70.32 H new ATOM 0 HG3 PRO A 98 -22.788 3.244 10.116 1.00 70.32 H new ATOM 0 HD2 PRO A 98 -21.100 3.553 8.002 1.00 40.02 H new ATOM 0 HD3 PRO A 98 -22.734 2.956 7.789 1.00 40.02 H new ATOM 1652 N TYR A 99 -21.122 7.014 8.859 1.00 1.34 N ATOM 1653 CA TYR A 99 -20.223 8.111 9.199 1.00 12.10 C ATOM 1654 C TYR A 99 -20.009 9.031 8.001 1.00 53.11 C ATOM 1655 O TYR A 99 -20.053 10.254 8.129 1.00 53.13 O ATOM 1656 CB TYR A 99 -18.879 7.565 9.684 1.00 41.45 C ATOM 1657 CG TYR A 99 -18.855 7.237 11.159 1.00 31.22 C ATOM 1658 CD1 TYR A 99 -19.845 6.447 11.731 1.00 4.04 C ATOM 1659 CD2 TYR A 99 -17.842 7.716 11.981 1.00 32.41 C ATOM 1660 CE1 TYR A 99 -19.827 6.145 13.079 1.00 11.13 C ATOM 1661 CE2 TYR A 99 -17.816 7.418 13.330 1.00 61.51 C ATOM 1662 CZ TYR A 99 -18.811 6.632 13.874 1.00 3.42 C ATOM 1663 OH TYR A 99 -18.789 6.333 15.217 1.00 21.31 O ATOM 0 H TYR A 99 -20.674 6.098 8.820 1.00 1.34 H new ATOM 0 HA TYR A 99 -20.683 8.689 10.000 1.00 12.10 H new ATOM 0 HB2 TYR A 99 -18.635 6.667 9.117 1.00 41.45 H new ATOM 0 HB3 TYR A 99 -18.101 8.298 9.471 1.00 41.45 H new ATOM 0 HD1 TYR A 99 -20.642 6.063 11.111 1.00 4.04 H new ATOM 0 HD2 TYR A 99 -17.062 8.332 11.558 1.00 32.41 H new ATOM 0 HE1 TYR A 99 -20.605 5.531 13.508 1.00 11.13 H new ATOM 0 HE2 TYR A 99 -17.021 7.798 13.955 1.00 61.51 H new ATOM 0 HH TYR A 99 -18.007 6.752 15.633 1.00 21.31 H new ATOM 1673 N GLU A 100 -19.778 8.432 6.837 1.00 72.02 N ATOM 1674 CA GLU A 100 -19.557 9.197 5.615 1.00 13.13 C ATOM 1675 C GLU A 100 -20.812 9.973 5.225 1.00 71.54 C ATOM 1676 O GLU A 100 -20.750 11.166 4.930 1.00 53.30 O ATOM 1677 CB GLU A 100 -19.142 8.267 4.473 1.00 55.51 C ATOM 1678 CG GLU A 100 -19.063 8.960 3.123 1.00 43.21 C ATOM 1679 CD GLU A 100 -17.712 8.784 2.456 1.00 55.23 C ATOM 1680 OE1 GLU A 100 -16.685 8.893 3.157 1.00 61.12 O ATOM 1681 OE2 GLU A 100 -17.684 8.537 1.232 1.00 40.33 O ATOM 0 H GLU A 100 -19.739 7.420 6.714 1.00 72.02 H new ATOM 0 HA GLU A 100 -18.754 9.910 5.802 1.00 13.13 H new ATOM 0 HB2 GLU A 100 -18.171 7.831 4.706 1.00 55.51 H new ATOM 0 HB3 GLU A 100 -19.854 7.444 4.409 1.00 55.51 H new ATOM 0 HG2 GLU A 100 -19.841 8.565 2.470 1.00 43.21 H new ATOM 0 HG3 GLU A 100 -19.265 10.023 3.252 1.00 43.21 H new ATOM 1688 N ARG A 101 -21.949 9.285 5.224 1.00 33.20 N ATOM 1689 CA ARG A 101 -23.219 9.907 4.868 1.00 44.50 C ATOM 1690 C ARG A 101 -23.596 10.989 5.877 1.00 63.54 C ATOM 1691 O ARG A 101 -24.201 12.000 5.521 1.00 10.31 O ATOM 1692 CB ARG A 101 -24.325 8.854 4.796 1.00 74.12 C ATOM 1693 CG ARG A 101 -24.761 8.334 6.156 1.00 51.10 C ATOM 1694 CD ARG A 101 -25.860 7.291 6.028 1.00 55.32 C ATOM 1695 NE ARG A 101 -26.796 7.342 7.148 1.00 21.42 N ATOM 1696 CZ ARG A 101 -27.865 6.559 7.249 1.00 44.20 C ATOM 1697 NH1 ARG A 101 -28.132 5.671 6.302 1.00 64.32 N ATOM 1698 NH2 ARG A 101 -28.669 6.664 8.299 1.00 3.43 N ATOM 0 H ARG A 101 -22.017 8.296 5.466 1.00 33.20 H new ATOM 0 HA ARG A 101 -23.105 10.371 3.888 1.00 44.50 H new ATOM 0 HB2 ARG A 101 -25.189 9.281 4.286 1.00 74.12 H new ATOM 0 HB3 ARG A 101 -23.979 8.017 4.190 1.00 74.12 H new ATOM 0 HG2 ARG A 101 -23.905 7.900 6.672 1.00 51.10 H new ATOM 0 HG3 ARG A 101 -25.115 9.164 6.768 1.00 51.10 H new ATOM 0 HD2 ARG A 101 -26.402 7.448 5.095 1.00 55.32 H new ATOM 0 HD3 ARG A 101 -25.413 6.298 5.974 1.00 55.32 H new ATOM 0 HE ARG A 101 -26.620 8.015 7.893 1.00 21.42 H new ATOM 0 HH11 ARG A 101 -27.516 5.587 5.493 1.00 64.32 H new ATOM 0 HH12 ARG A 101 -28.953 5.071 6.382 1.00 64.32 H new ATOM 0 HH21 ARG A 101 -28.467 7.346 9.030 1.00 3.43 H new ATOM 0 HH22 ARG A 101 -29.489 6.063 8.375 1.00 3.43 H new ATOM 1712 N HIS A 102 -23.234 10.767 7.137 1.00 52.24 N ATOM 1713 CA HIS A 102 -23.535 11.722 8.197 1.00 5.42 C ATOM 1714 C HIS A 102 -22.732 13.007 8.015 1.00 62.04 C ATOM 1715 O HIS A 102 -23.272 14.108 8.122 1.00 64.32 O ATOM 1716 CB HIS A 102 -23.234 11.109 9.565 1.00 5.10 C ATOM 1717 CG HIS A 102 -24.388 10.357 10.151 1.00 33.04 C ATOM 1718 ND1 HIS A 102 -24.233 9.282 11.001 1.00 2.22 N ATOM 1719 CD2 HIS A 102 -25.723 10.531 10.008 1.00 61.15 C ATOM 1720 CE1 HIS A 102 -25.422 8.827 11.353 1.00 22.53 C ATOM 1721 NE2 HIS A 102 -26.343 9.567 10.764 1.00 11.32 N ATOM 0 H HIS A 102 -22.732 9.935 7.448 1.00 52.24 H new ATOM 0 HA HIS A 102 -24.596 11.966 8.142 1.00 5.42 H new ATOM 0 HB2 HIS A 102 -22.382 10.436 9.473 1.00 5.10 H new ATOM 0 HB3 HIS A 102 -22.941 11.902 10.253 1.00 5.10 H new ATOM 0 HD2 HIS A 102 -26.210 11.287 9.410 1.00 61.15 H new ATOM 0 HE1 HIS A 102 -25.609 7.991 12.011 1.00 22.53 H new ATOM 0 HE2 HIS A 102 -27.351 9.443 10.856 1.00 11.32 H new ATOM 1729 N MET A 103 -21.440 12.858 7.739 1.00 32.13 N ATOM 1730 CA MET A 103 -20.564 14.007 7.542 1.00 62.43 C ATOM 1731 C MET A 103 -21.057 14.875 6.389 1.00 55.10 C ATOM 1732 O MET A 103 -21.096 16.101 6.496 1.00 45.22 O ATOM 1733 CB MET A 103 -19.132 13.542 7.269 1.00 71.24 C ATOM 1734 CG MET A 103 -18.245 13.551 8.503 1.00 65.44 C ATOM 1735 SD MET A 103 -17.937 15.215 9.125 1.00 32.33 S ATOM 1736 CE MET A 103 -17.912 14.916 10.891 1.00 13.22 C ATOM 0 H MET A 103 -20.977 11.954 7.647 1.00 32.13 H new ATOM 0 HA MET A 103 -20.578 14.603 8.454 1.00 62.43 H new ATOM 0 HB2 MET A 103 -19.158 12.533 6.858 1.00 71.24 H new ATOM 0 HB3 MET A 103 -18.689 14.185 6.508 1.00 71.24 H new ATOM 0 HG2 MET A 103 -18.713 12.955 9.287 1.00 65.44 H new ATOM 0 HG3 MET A 103 -17.294 13.074 8.266 1.00 65.44 H new ATOM 0 HE1 MET A 103 -17.731 15.854 11.416 1.00 13.22 H new ATOM 0 HE2 MET A 103 -18.871 14.504 11.204 1.00 13.22 H new ATOM 0 HE3 MET A 103 -17.118 14.208 11.129 1.00 13.22 H new ATOM 1746 N ILE A 104 -21.434 14.232 5.289 1.00 41.12 N ATOM 1747 CA ILE A 104 -21.926 14.947 4.117 1.00 24.24 C ATOM 1748 C ILE A 104 -23.369 15.398 4.314 1.00 21.04 C ATOM 1749 O ILE A 104 -23.831 16.336 3.665 1.00 70.12 O ATOM 1750 CB ILE A 104 -21.840 14.076 2.850 1.00 52.11 C ATOM 1751 CG1 ILE A 104 -22.821 12.905 2.942 1.00 4.02 C ATOM 1752 CG2 ILE A 104 -20.420 13.570 2.650 1.00 45.24 C ATOM 1753 CD1 ILE A 104 -22.800 12.003 1.728 1.00 15.01 C ATOM 0 H ILE A 104 -21.408 13.218 5.185 1.00 41.12 H new ATOM 0 HA ILE A 104 -21.289 15.822 3.990 1.00 24.24 H new ATOM 0 HB ILE A 104 -22.112 14.686 1.989 1.00 52.11 H new ATOM 0 HG12 ILE A 104 -22.587 12.314 3.828 1.00 4.02 H new ATOM 0 HG13 ILE A 104 -23.829 13.296 3.077 1.00 4.02 H new ATOM 0 HG21 ILE A 104 -20.376 12.956 1.750 1.00 45.24 H new ATOM 0 HG22 ILE A 104 -19.743 14.418 2.544 1.00 45.24 H new ATOM 0 HG23 ILE A 104 -20.122 12.973 3.512 1.00 45.24 H new ATOM 0 HD11 ILE A 104 -23.519 11.195 1.862 1.00 15.01 H new ATOM 0 HD12 ILE A 104 -23.063 12.580 0.841 1.00 15.01 H new ATOM 0 HD13 ILE A 104 -21.802 11.583 1.604 1.00 15.01 H new ATOM 1765 N SER A 105 -24.076 14.725 5.217 1.00 63.34 N ATOM 1766 CA SER A 105 -25.468 15.055 5.499 1.00 62.15 C ATOM 1767 C SER A 105 -25.591 16.479 6.032 1.00 51.04 C ATOM 1768 O SER A 105 -26.596 17.152 5.805 1.00 11.22 O ATOM 1769 CB SER A 105 -26.054 14.067 6.509 1.00 5.25 C ATOM 1770 OG SER A 105 -26.911 13.135 5.874 1.00 53.31 O ATOM 0 H SER A 105 -23.707 13.948 5.766 1.00 63.34 H new ATOM 0 HA SER A 105 -26.029 14.985 4.567 1.00 62.15 H new ATOM 0 HB2 SER A 105 -25.246 13.537 7.014 1.00 5.25 H new ATOM 0 HB3 SER A 105 -26.607 14.611 7.275 1.00 5.25 H new ATOM 0 HG SER A 105 -26.379 12.399 5.506 1.00 53.31 H new ATOM 1776 N GLN A 106 -24.561 16.930 6.741 1.00 73.04 N ATOM 1777 CA GLN A 106 -24.554 18.274 7.307 1.00 73.41 C ATOM 1778 C GLN A 106 -24.789 19.322 6.224 1.00 23.12 C ATOM 1779 O GLN A 106 -25.494 20.306 6.443 1.00 5.44 O ATOM 1780 CB GLN A 106 -23.226 18.544 8.016 1.00 33.02 C ATOM 1781 CG GLN A 106 -23.358 19.450 9.230 1.00 71.21 C ATOM 1782 CD GLN A 106 -22.575 18.943 10.425 1.00 61.54 C ATOM 1783 OE1 GLN A 106 -23.049 18.089 11.175 1.00 65.32 O ATOM 1784 NE2 GLN A 106 -21.369 19.467 10.608 1.00 63.41 N ATOM 0 H GLN A 106 -23.721 16.385 6.937 1.00 73.04 H new ATOM 0 HA GLN A 106 -25.365 18.340 8.032 1.00 73.41 H new ATOM 0 HB2 GLN A 106 -22.790 17.595 8.327 1.00 33.02 H new ATOM 0 HB3 GLN A 106 -22.531 18.997 7.309 1.00 33.02 H new ATOM 0 HG2 GLN A 106 -23.011 20.450 8.971 1.00 71.21 H new ATOM 0 HG3 GLN A 106 -24.410 19.537 9.501 1.00 71.21 H new ATOM 0 HE21 GLN A 106 -21.016 20.172 9.961 1.00 63.41 H new ATOM 0 HE22 GLN A 106 -20.795 19.164 11.395 1.00 63.41 H new ATOM 1793 N GLU A 107 -24.193 19.103 5.056 1.00 24.13 N ATOM 1794 CA GLU A 107 -24.336 20.030 3.940 1.00 14.43 C ATOM 1795 C GLU A 107 -25.741 19.956 3.348 1.00 21.42 C ATOM 1796 O GLU A 107 -26.210 20.899 2.713 1.00 44.01 O ATOM 1797 CB GLU A 107 -23.298 19.726 2.858 1.00 11.14 C ATOM 1798 CG GLU A 107 -22.508 20.945 2.413 1.00 1.12 C ATOM 1799 CD GLU A 107 -22.939 21.454 1.051 1.00 4.02 C ATOM 1800 OE1 GLU A 107 -22.821 20.691 0.069 1.00 12.23 O ATOM 1801 OE2 GLU A 107 -23.392 22.614 0.967 1.00 54.20 O ATOM 0 H GLU A 107 -23.607 18.292 4.858 1.00 24.13 H new ATOM 0 HA GLU A 107 -24.172 21.040 4.317 1.00 14.43 H new ATOM 0 HB2 GLU A 107 -22.606 18.972 3.232 1.00 11.14 H new ATOM 0 HB3 GLU A 107 -23.802 19.295 1.993 1.00 11.14 H new ATOM 0 HG2 GLU A 107 -22.629 21.740 3.149 1.00 1.12 H new ATOM 0 HG3 GLU A 107 -21.447 20.695 2.385 1.00 1.12 H new ATOM 1808 N GLY A 108 -26.407 18.825 3.562 1.00 74.15 N ATOM 1809 CA GLY A 108 -27.751 18.647 3.042 1.00 21.45 C ATOM 1810 C GLY A 108 -28.704 18.088 4.080 1.00 10.13 C ATOM 1811 O GLY A 108 -29.009 16.895 4.075 1.00 64.05 O ATOM 0 H GLY A 108 -26.041 18.030 4.085 1.00 74.15 H new ATOM 0 HA2 GLY A 108 -28.129 19.605 2.684 1.00 21.45 H new ATOM 0 HA3 GLY A 108 -27.719 17.976 2.183 1.00 21.45 H new ATOM 1815 N ILE A 109 -29.175 18.951 4.974 1.00 3.13 N ATOM 1816 CA ILE A 109 -30.098 18.536 6.023 1.00 11.51 C ATOM 1817 C ILE A 109 -31.405 19.318 5.945 1.00 33.20 C ATOM 1818 O ILE A 109 -32.366 19.015 6.654 1.00 42.45 O ATOM 1819 CB ILE A 109 -29.483 18.726 7.422 1.00 23.21 C ATOM 1820 CG1 ILE A 109 -28.604 19.978 7.452 1.00 52.24 C ATOM 1821 CG2 ILE A 109 -28.677 17.497 7.817 1.00 44.42 C ATOM 1822 CD1 ILE A 109 -29.350 21.247 7.103 1.00 44.42 C ATOM 0 H ILE A 109 -28.933 19.942 4.993 1.00 3.13 H new ATOM 0 HA ILE A 109 -30.300 17.477 5.865 1.00 11.51 H new ATOM 0 HB ILE A 109 -30.290 18.855 8.143 1.00 23.21 H new ATOM 0 HG12 ILE A 109 -28.169 20.083 8.446 1.00 52.24 H new ATOM 0 HG13 ILE A 109 -27.777 19.848 6.754 1.00 52.24 H new ATOM 0 HG21 ILE A 109 -28.248 17.646 8.808 1.00 44.42 H new ATOM 0 HG22 ILE A 109 -29.329 16.624 7.831 1.00 44.42 H new ATOM 0 HG23 ILE A 109 -27.876 17.340 7.095 1.00 44.42 H new ATOM 0 HD11 ILE A 109 -28.666 22.094 7.144 1.00 44.42 H new ATOM 0 HD12 ILE A 109 -29.762 21.162 6.098 1.00 44.42 H new ATOM 0 HD13 ILE A 109 -30.160 21.400 7.816 1.00 44.42 H new ATOM 1834 N LYS A 110 -31.436 20.324 5.078 1.00 61.13 N ATOM 1835 CA LYS A 110 -32.626 21.148 4.903 1.00 1.20 C ATOM 1836 C LYS A 110 -33.812 20.302 4.452 1.00 14.31 C ATOM 1837 O LYS A 110 -34.936 20.497 4.915 1.00 63.11 O ATOM 1838 CB LYS A 110 -32.358 22.256 3.882 1.00 55.22 C ATOM 1839 CG LYS A 110 -32.515 23.657 4.449 1.00 62.42 C ATOM 1840 CD LYS A 110 -31.465 23.950 5.507 1.00 1.03 C ATOM 1841 CE LYS A 110 -32.064 24.679 6.700 1.00 54.31 C ATOM 1842 NZ LYS A 110 -33.082 23.850 7.403 1.00 54.24 N ATOM 0 H LYS A 110 -30.650 20.589 4.485 1.00 61.13 H new ATOM 0 HA LYS A 110 -32.870 21.600 5.865 1.00 1.20 H new ATOM 0 HB2 LYS A 110 -31.347 22.142 3.492 1.00 55.22 H new ATOM 0 HB3 LYS A 110 -33.040 22.135 3.040 1.00 55.22 H new ATOM 0 HG2 LYS A 110 -32.436 24.388 3.644 1.00 62.42 H new ATOM 0 HG3 LYS A 110 -33.509 23.766 4.882 1.00 62.42 H new ATOM 0 HD2 LYS A 110 -31.012 23.016 5.840 1.00 1.03 H new ATOM 0 HD3 LYS A 110 -30.668 24.554 5.073 1.00 1.03 H new ATOM 0 HE2 LYS A 110 -31.270 24.948 7.397 1.00 54.31 H new ATOM 0 HE3 LYS A 110 -32.522 25.609 6.364 1.00 54.31 H new ATOM 0 HZ1 LYS A 110 -33.317 24.289 8.316 1.00 54.24 H new ATOM 0 HZ2 LYS A 110 -33.940 23.784 6.819 1.00 54.24 H new ATOM 0 HZ3 LYS A 110 -32.701 22.896 7.566 1.00 54.24 H new ATOM 1856 N GLU A 111 -33.554 19.363 3.548 1.00 60.32 N ATOM 1857 CA GLU A 111 -34.602 18.487 3.036 1.00 42.30 C ATOM 1858 C GLU A 111 -35.138 17.578 4.138 1.00 11.53 C ATOM 1859 O GLU A 111 -36.282 17.125 4.084 1.00 2.12 O ATOM 1860 CB GLU A 111 -34.070 17.642 1.877 1.00 41.13 C ATOM 1861 CG GLU A 111 -35.145 16.837 1.167 1.00 33.52 C ATOM 1862 CD GLU A 111 -35.251 17.175 -0.307 1.00 45.01 C ATOM 1863 OE1 GLU A 111 -34.208 17.164 -0.995 1.00 13.43 O ATOM 1864 OE2 GLU A 111 -36.376 17.450 -0.773 1.00 51.40 O ATOM 0 H GLU A 111 -32.629 19.189 3.155 1.00 60.32 H new ATOM 0 HA GLU A 111 -35.419 19.112 2.675 1.00 42.30 H new ATOM 0 HB2 GLU A 111 -33.582 18.297 1.155 1.00 41.13 H new ATOM 0 HB3 GLU A 111 -33.308 16.961 2.255 1.00 41.13 H new ATOM 0 HG2 GLU A 111 -34.930 15.774 1.277 1.00 33.52 H new ATOM 0 HG3 GLU A 111 -36.106 17.019 1.647 1.00 33.52 H new ATOM 1871 N THR A 112 -34.303 17.315 5.139 1.00 50.32 N ATOM 1872 CA THR A 112 -34.691 16.460 6.253 1.00 21.21 C ATOM 1873 C THR A 112 -35.900 17.028 6.988 1.00 62.04 C ATOM 1874 O THR A 112 -36.836 16.300 7.317 1.00 65.54 O ATOM 1875 CB THR A 112 -33.534 16.282 7.254 1.00 64.41 C ATOM 1876 OG1 THR A 112 -32.353 15.853 6.566 1.00 2.42 O ATOM 1877 CG2 THR A 112 -33.898 15.267 8.327 1.00 23.31 C ATOM 0 H THR A 112 -33.353 17.682 5.200 1.00 50.32 H new ATOM 0 HA THR A 112 -34.949 15.489 5.830 1.00 21.21 H new ATOM 0 HB THR A 112 -33.347 17.243 7.734 1.00 64.41 H new ATOM 0 HG1 THR A 112 -31.621 15.744 7.209 1.00 2.42 H new ATOM 0 HG21 THR A 112 -33.066 15.158 9.022 1.00 23.31 H new ATOM 0 HG22 THR A 112 -34.780 15.610 8.868 1.00 23.31 H new ATOM 0 HG23 THR A 112 -34.110 14.305 7.861 1.00 23.31 H new ATOM 1885 N GLN A 113 -35.873 18.332 7.241 1.00 53.52 N ATOM 1886 CA GLN A 113 -36.968 18.997 7.937 1.00 54.51 C ATOM 1887 C GLN A 113 -38.195 19.113 7.037 1.00 5.53 C ATOM 1888 O GLN A 113 -39.319 19.251 7.519 1.00 44.43 O ATOM 1889 CB GLN A 113 -36.533 20.386 8.407 1.00 11.42 C ATOM 1890 CG GLN A 113 -36.016 20.410 9.837 1.00 52.34 C ATOM 1891 CD GLN A 113 -35.984 21.808 10.422 1.00 12.23 C ATOM 1892 OE1 GLN A 113 -36.858 22.630 10.144 1.00 4.52 O ATOM 1893 NE2 GLN A 113 -34.974 22.085 11.239 1.00 54.31 N ATOM 0 H GLN A 113 -35.105 18.949 6.975 1.00 53.52 H new ATOM 0 HA GLN A 113 -37.232 18.394 8.805 1.00 54.51 H new ATOM 0 HB2 GLN A 113 -35.754 20.758 7.742 1.00 11.42 H new ATOM 0 HB3 GLN A 113 -37.378 21.070 8.323 1.00 11.42 H new ATOM 0 HG2 GLN A 113 -36.647 19.775 10.458 1.00 52.34 H new ATOM 0 HG3 GLN A 113 -35.012 19.986 9.864 1.00 52.34 H new ATOM 0 HE21 GLN A 113 -34.272 21.373 11.442 1.00 54.31 H new ATOM 0 HE22 GLN A 113 -34.900 23.009 11.664 1.00 54.31 H new ATOM 1902 N ALA A 114 -37.970 19.057 5.729 1.00 63.13 N ATOM 1903 CA ALA A 114 -39.056 19.154 4.762 1.00 33.10 C ATOM 1904 C ALA A 114 -39.811 17.833 4.650 1.00 44.44 C ATOM 1905 O ALA A 114 -40.985 17.806 4.280 1.00 2.41 O ATOM 1906 CB ALA A 114 -38.517 19.574 3.402 1.00 33.54 C ATOM 0 H ALA A 114 -37.045 18.945 5.314 1.00 63.13 H new ATOM 0 HA ALA A 114 -39.755 19.913 5.113 1.00 33.10 H new ATOM 0 HB1 ALA A 114 -39.339 19.642 2.690 1.00 33.54 H new ATOM 0 HB2 ALA A 114 -38.030 20.545 3.488 1.00 33.54 H new ATOM 0 HB3 ALA A 114 -37.795 18.836 3.053 1.00 33.54 H new ATOM 1912 N LYS A 115 -39.129 16.739 4.970 1.00 62.12 N ATOM 1913 CA LYS A 115 -39.734 15.414 4.906 1.00 61.23 C ATOM 1914 C LYS A 115 -40.719 15.209 6.052 1.00 3.34 C ATOM 1915 O LYS A 115 -40.901 16.092 6.891 1.00 22.44 O ATOM 1916 CB LYS A 115 -38.651 14.333 4.950 1.00 10.44 C ATOM 1917 CG LYS A 115 -38.814 13.265 3.883 1.00 23.35 C ATOM 1918 CD LYS A 115 -37.468 12.766 3.384 1.00 31.33 C ATOM 1919 CE LYS A 115 -37.211 13.198 1.949 1.00 61.11 C ATOM 1920 NZ LYS A 115 -37.566 12.128 0.975 1.00 14.55 N ATOM 0 H LYS A 115 -38.156 16.744 5.277 1.00 62.12 H new ATOM 0 HA LYS A 115 -40.278 15.336 3.965 1.00 61.23 H new ATOM 0 HB2 LYS A 115 -37.675 14.804 4.835 1.00 10.44 H new ATOM 0 HB3 LYS A 115 -38.662 13.859 5.931 1.00 10.44 H new ATOM 0 HG2 LYS A 115 -39.386 12.430 4.287 1.00 23.35 H new ATOM 0 HG3 LYS A 115 -39.386 13.668 3.048 1.00 23.35 H new ATOM 0 HD2 LYS A 115 -36.676 13.148 4.028 1.00 31.33 H new ATOM 0 HD3 LYS A 115 -37.435 11.678 3.449 1.00 31.33 H new ATOM 0 HE2 LYS A 115 -37.791 14.095 1.730 1.00 61.11 H new ATOM 0 HE3 LYS A 115 -36.160 13.461 1.832 1.00 61.11 H new ATOM 0 HZ1 LYS A 115 -37.376 12.462 0.008 1.00 14.55 H new ATOM 0 HZ2 LYS A 115 -36.995 11.280 1.167 1.00 14.55 H new ATOM 0 HZ3 LYS A 115 -38.575 11.894 1.069 1.00 14.55 H new ATOM 1934 N ARG A 116 -41.350 14.040 6.083 1.00 41.11 N ATOM 1935 CA ARG A 116 -42.316 13.720 7.127 1.00 4.32 C ATOM 1936 C ARG A 116 -41.608 13.332 8.422 1.00 63.21 C ATOM 1937 O ARG A 116 -40.736 12.463 8.427 1.00 22.33 O ATOM 1938 CB ARG A 116 -43.232 12.582 6.673 1.00 3.41 C ATOM 1939 CG ARG A 116 -44.306 12.224 7.687 1.00 52.23 C ATOM 1940 CD ARG A 116 -45.440 11.441 7.043 1.00 12.53 C ATOM 1941 NE ARG A 116 -45.192 10.002 7.063 1.00 40.42 N ATOM 1942 CZ ARG A 116 -46.134 9.091 6.847 1.00 12.22 C ATOM 1943 NH1 ARG A 116 -47.380 9.468 6.597 1.00 74.23 N ATOM 1944 NH2 ARG A 116 -45.830 7.800 6.881 1.00 33.05 N ATOM 0 H ARG A 116 -41.210 13.298 5.397 1.00 41.11 H new ATOM 0 HA ARG A 116 -42.918 14.609 7.315 1.00 4.32 H new ATOM 0 HB2 ARG A 116 -43.710 12.864 5.735 1.00 3.41 H new ATOM 0 HB3 ARG A 116 -42.627 11.699 6.470 1.00 3.41 H new ATOM 0 HG2 ARG A 116 -43.866 11.635 8.492 1.00 52.23 H new ATOM 0 HG3 ARG A 116 -44.701 13.135 8.138 1.00 52.23 H new ATOM 0 HD2 ARG A 116 -46.372 11.656 7.567 1.00 12.53 H new ATOM 0 HD3 ARG A 116 -45.570 11.772 6.013 1.00 12.53 H new ATOM 0 HE ARG A 116 -44.243 9.679 7.253 1.00 40.42 H new ATOM 0 HH11 ARG A 116 -47.617 10.460 6.570 1.00 74.23 H new ATOM 0 HH12 ARG A 116 -48.102 8.766 6.431 1.00 74.23 H new ATOM 0 HH21 ARG A 116 -44.872 7.506 7.073 1.00 33.05 H new ATOM 0 HH22 ARG A 116 -46.554 7.101 6.715 1.00 33.05 H new TER 1958 ARG A 116